smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccccc1-c1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n1CC 4195731 CWPYVDQQUPMLSF-UXLLHSPISA-N 400.548 3.761 0 1 HHAF CCCc1cc(OC)cc(OC)c1C(=O)Oc1c(O)cc(CCC)c(C(=O)O)c1O 14695479 FJXSGDWNOHLRRX-UHFFFAOYSA-N 418.442 3.937 0 1 HHAF biogenic CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@@H]1Oc1ccc(CC(=O)O)cc1 27207757 PSLUVLBKYFIPQQ-JOCHJYFZSA-N 424.497 3.885 0 1 HHAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccsc2)CC1 27901451 JPFRMUAREHIGHU-UHFFFAOYSA-N 400.544 3.741 0 1 HHAF COc1cc2ccc3c(c2cc1OC)N(C)[C@@H](O)c1c(OC)c(OC)cc(OC)c1-3 34750612 SOOWIEWHLHSPPN-QHCPKHFHSA-N 411.454 3.991 0 1 HHAF biogenic Nc1cc(OCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3ccccc32)ccn1 43069782 CAYJBVQIGKRCNC-PDGQHHTCSA-N 421.526 3.624 0 1 HHAF O=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1CC(O)(O)C(F)(F)F 49803784 IDFYEBLWQOMHPB-GDNBJRDFSA-N 409.385 3.633 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@H](CO)N3)c1 95878066 RMCUWMYAWGUVMU-IGKWTDBASA-N 415.493 3.747 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878380 QANHKTDAUKUZTL-YFXJRYMSSA-N 403.457 3.878 0 1 HHAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(F)cc1F 96931543 IPAPEESTIBMGFN-NRFANRHFSA-N 420.419 3.821 0 1 HHAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3c3ccc(Cl)cc3)cc2N1 116255060 XVIOTDHIXUDJOH-QFIPXVFZSA-N 406.825 3.525 0 1 HHAF Brc1cc(Br)c2nc(SCCN3CCOCC3)[nH]c2c1 142423740 ADOBRCGBLIQGLH-UHFFFAOYSA-N 421.158 3.512 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@]34CNC(=O)[C@H]3C4)nn2-c2ccccc2)c1 143738145 FBDBCWULQGGMTC-DVECYGJZSA-N 400.482 3.566 0 1 HHAF Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc12 169353328 DMWFBAOSXMVGFU-UHFFFAOYSA-N 424.472 3.748 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(F)c(OCC23CC4CC(CC(C4)C2)C3)c(Cl)c1 225230035 XISLPVQYMDSVPU-UHFFFAOYSA-N 415.914 3.764 0 1 HHAF COc1cc(Br)c([C@@H](N)c2nc3ccc(C(C)=O)cc3[nH]2)cc1OC 586975662 PCEQEMNDFVGTJB-QGZVFWFLSA-N 404.264 3.593 0 1 HHAF Cc1nc(Br)sc1-c1nc2cc(I)cnc2[nH]1 587010797 GLAMOJOPLCWMDZ-UHFFFAOYSA-N 421.061 3.757 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 587229924 DKWCLSOWJJSXBR-KGLIPLIRSA-N 408.340 3.979 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@H](C(=O)O)[C@@H]32)c1 587361967 BTTHBSZYSCUPGF-XJDIIYGHSA-N 400.434 3.969 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1CC(=O)O)CC2=O 587482125 SBZVRGFDHLGVNU-GOSISDBHSA-N 400.427 3.696 0 1 HHAF C[C@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580566 SENKDUUKDQRVIX-WMZHIEFXSA-N 405.406 3.552 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(C(F)(F)F)N1 587706796 RGVKHSCLVQNCOX-PSLIRLAXSA-N 404.205 3.913 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CN(c3ccc(N)cn3)C=C2)N1 587775190 RKAWNDBTPDJZQT-LBPRGKRZSA-N 401.283 3.843 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587834318 RLVPUYGHIWEJHM-NCDWJDPGSA-N 408.267 3.504 0 1 HHAF Cc1ccnc2c1CCN[C@@]2(c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 963070187 FICPOMUZIBCTIS-QFIPXVFZSA-N 414.477 3.509 0 1 HHAF CCCN1[C@H](c2ccccc2OCC(=O)N2CCOCC2)c2ccccc2C[C@H]1C 963240565 KSHIDCZNHWFYJF-CLOONOSVSA-N 408.542 3.670 0 1 HHAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)c(F)c2)[nH]o1 1857580160 HYYTZUUXIPJLRY-UHFFFAOYSA-N 411.397 3.636 0 1 HHAF CC1=C[C@H](CNC(=O)c2cccc(F)c2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356824764 GYOKLHFHQTXHFW-VWPQPMDRSA-N 416.537 3.659 0 1 HHAF S=C(NNc1nc2ccccc2n2cccc12)Nc1ccc(Br)cn1 1864289 XQZAUCSOSCGUNU-UHFFFAOYSA-N 413.304 3.959 0 1 HHAF Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)c2)c1 13152799 OITVFZXFBDIOLE-KDJJVYBXSA-N 404.466 3.692 0 1 HHAF O[C@@H]1[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)OC[C@@H](O)[C@H]1O 13385852 OYTSBTTZMCNVKQ-QQUTXWOLSA-N 422.868 3.694 0 1 HHAF biogenic C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@H](C)N1 13758941 JGTCAZYZKSEFEF-GJZGRUSLSA-N 423.467 3.940 0 1 HHAF Cc1nc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2F)cc2c1[nH]c1ccccc12 15969337 AWRKMROMSYLNRL-OAHLLOKOSA-N 418.472 3.641 0 1 HHAF biogenic O=C(O)Cc1ccc2c(c1)C[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 27325467 NUWQJAVEHKEOCZ-HNNXBMFYSA-N 421.946 3.831 0 1 HHAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179437 WMAVQPXWHMJYTI-UHFFFAOYSA-N 421.476 3.942 0 1 HHAF COc1cccc(OC)c1-c1cc(NC(C)=O)nc(-c2c(OC)cccc2OC)n1 95595740 YUIUYHPVPHXECE-UHFFFAOYSA-N 409.442 3.803 0 1 HHAF O=C(O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 98207924 SGIVALYPXQHYAY-KRWDZBQOSA-N 415.527 3.967 0 1 HHAF in-vitro CCCCS(=O)(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3Cl)CC[C@H]2C1 103263676 NSXLSPLHCXZYTR-MJEQTWJJSA-N 419.374 3.564 0 1 HHAF CC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3cccc(F)c3)ccc2c1O)C(=O)O 146736297 OHJMTCDTAIRNER-UHFFFAOYSA-N 423.400 3.584 0 1 HHAF CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc21 169350479 DCAICBRLPKTZNX-UHFFFAOYSA-N 422.572 3.597 0 1 HHAF COCCN1CCN([C@H](CN2CCC(Nc3ccccc3)CC2)c2ccccc2)CC1 198330044 SKGFAGVKKHYWHF-AREMUKBSSA-N 422.617 3.568 0 1 HHAF Fc1ncccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1 299861000 HJUNBWFLNSCJJH-IBGZPJMESA-N 416.460 3.742 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 586952370 JHMLRPBNDKEIDQ-UHFFFAOYSA-N 420.760 3.898 0 1 HHAF O=C1COc2cc3[nH]c(C[S@@](=O)C(c4ccccc4)c4ccccc4)nc3cc2N1 586961574 WCXOLNQSESGPGK-SSEXGKCCSA-N 417.490 3.932 0 1 HHAF O=C1COc2cc3[nH]c(-c4cc(C(F)(F)F)ncc4Br)nc3cc2N1 587116096 NHLDPXJTJDWUOX-UHFFFAOYSA-N 413.153 3.737 0 1 HHAF O=C1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587148027 FDVZILACVDEXLP-CYBMUJFWSA-N 411.387 3.682 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587232417 WXUPJNBVAIIZNF-ZJUUUORDSA-N 416.266 3.640 0 1 HHAF CCc1cc(=O)oc2cc(OC[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc12 587450836 GRTIVCNZLDHLJF-HOYKHHGWSA-N 406.434 3.949 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O 587476411 OVVAFSKWTBVISR-XXBNENTESA-N 417.502 3.847 0 1 HHAF Nc1cccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575098 AKCRNKSWFYGAMC-REWPJTCUSA-N 405.406 3.696 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3cccn3C)c(=O)c3ccccc23)c(O)c1 587668085 YZYKMTUDICEEIW-UHFFFAOYSA-N 416.481 3.642 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587764479 QCUUYIAWTFUJCV-WLOHWFEXSA-N 407.331 3.658 0 1 HHAF CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794014 FZWZKANQAMFZOT-JEOXALJRSA-N 414.315 3.886 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587799093 WDPLYBVQOIGTTC-GIGQVBGESA-N 405.267 3.635 0 1 HHAF CC/C(=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587966018 GONHGYINHQAPRF-SAPNQHFASA-N 411.527 3.843 0 1 HHAF Cc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1[C@]1(C)NCCc2ccc(O)cc21 963352139 JOYPILOENMLRGK-QHCPKHFHSA-N 424.884 3.969 0 1 HHAF NC(=O)c1c(-c2ccccc2)c(C2CC2)n2c1CN(C(=O)NC1CCCCC1)CC2 1772609696 AYGSKSBCGNUHBH-UHFFFAOYSA-N 406.530 3.989 0 1 HHAF Cn1cc(-c2cccc(S(=O)(=O)NCc3ccccc3)c2)c2ccccc2c1=O 1857643265 GNWSRCGEQJSQOE-UHFFFAOYSA-N 404.491 3.684 0 1 HHAF CCOc1ccc(NC(=O)c2sc3nc(C)nc(N4CCOCC4)c3c2C)cc1 6720610 PIJFEPHIBRZXHI-UHFFFAOYSA-N 412.515 3.796 0 3 HHAF Cc1nnc2n1-c1ccc(I)cc1[C@H](c1ccccc1F)NC2 13821072 MFXLZXFPLXYQJB-KRWDZBQOSA-N 420.229 3.512 0 1 HHAF COC(=O)c1c(SC)cc(-c2ccc(OCCN3CCCCC3)cc2)oc1=O 28345604 JMYOONLGVWSTPB-UHFFFAOYSA-N 403.500 3.680 0 1 HHAF C[C@H](C(=O)NCCCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 34451670 BMBZWMQGQVEOCP-ZDUSSCGKSA-N 412.914 3.703 0 1 HHAF O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccn1 43123449 RMFWDNOJYUOBQY-UHFFFAOYSA-N 409.574 3.979 0 1 HHAF Cn1cc(-c2ccc(CN3C(=O)[C@]4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 95589388 LQEOSKCXRPVRTF-DEOSSOPVSA-N 422.479 3.686 0 1 HHAF O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(Cc1ccccc1)C[C@H]2O 96167521 XGZOQJBQECHXJE-CTNGQTDRSA-N 420.431 3.575 0 1 HHAF O=C(c1ccc(F)cc1)c1cc(F)ccc1/C=C\OCCN1CCC[C@H](C(=O)O)C1 96923615 VFZCBBPPTMMMLW-DVESRUBUSA-N 415.436 3.980 0 1 HHAF Cc1nc(N2C[C@@H](Cc3ccccc3)NC2=O)sc1C(=O)NCc1ccccc1 103233538 ZLESCZTUYINREP-GOSISDBHSA-N 406.511 3.522 0 1 HHAF Cn1c(-c2ccc(CN3CCOCC3)cc2)cc2onc(-c3ccccc3)c2c1=O 144910959 TYFDJJNBSDHYLQ-UHFFFAOYSA-N 401.466 3.693 0 1 HHAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195301068 BARMHYIDIPSZOD-AXARJBFVSA-N 423.553 3.786 0 1 HHAF CO[C@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C 238737106 SFOHMBBFSBTGGN-BTWKVCBZSA-N 408.535 3.998 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 299875571 DDNRBBWLNDEZIK-IOMLAEOBSA-N 400.563 3.876 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299876968 GMWPUZKNIGFKEC-XHDPDMNISA-N 416.543 3.762 0 1 HHAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Cl)ccnc2[nH]1 586945315 DETHVWABEXFQGR-UHFFFAOYSA-N 410.933 3.880 0 1 HHAF CNS(=O)(=O)c1cc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)n(C)c1 586947075 KBIMGYXGSIQTKC-UHFFFAOYSA-N 423.523 3.753 0 1 HHAF COc1cc(Br)c([C@H](N)c2nc3ccc4ncccc4c3[nH]2)cc1OC 586975582 NNHIVHSYHGRKSH-KRWDZBQOSA-N 413.275 3.939 0 1 HHAF CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@H](C)n2nnnc2N1C 586989397 HOOKGJVLLVVMAZ-LBPRGKRZSA-N 410.437 3.580 0 1 HHAF Cn1cc(-c2ncc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)s2)cn1 587022353 YIQWUTHWKBBULZ-UHFFFAOYSA-N 404.249 3.548 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587041048 UQRNIFQRQZQOJB-LJQANCHMSA-N 422.510 3.734 0 1 HHAF N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1F 587142874 OTZCULOIZMZWFR-NSHDSACASA-N 414.076 3.865 0 1 HHAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C3 587371149 ZYUUIMKKIAEGDG-HXUWFJFHSA-N 412.493 3.996 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O 587412718 JYIKSXYNJMBCEP-HXPMCKFVSA-N 405.244 3.964 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4cccc(OC)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587454679 VXNYCZFNEOXTQS-IZHWHUGBSA-N 418.401 3.912 0 1 HHAF Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587537661 ADNOORMBLRDKGL-QAPCUYQASA-N 413.227 3.835 0 1 HHAF Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 587608029 IWRPIZITLAVKGR-HYBUGGRVSA-N 416.385 3.919 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)s2)N1 587849288 SBCOSDVKYPIFCG-VOJFVSQTSA-N 410.356 3.683 0 1 HHAF CN1CC[C@@H](N(C)C[C@@H]2CCN(c3ncnc4scc(-c5ccccc5)c34)C2)C1 653665975 OAGQMQRJPNEZHJ-PKOBYXMFSA-N 407.587 3.821 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@](C)([C@@H]2NCCc3c(C(=O)O)cccc32)C(F)(F)C1 963121873 LZGWGRGJAJDMDF-OXQOHEQNSA-N 410.461 3.854 0 1 HHAF FC(F)(F)c1nc(NC[C@H]2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1 4966746 TZGHUOCGUVJSSJ-LLVKDONJSA-N 412.803 3.533 0 3 HHAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61902280 WOFKVLAYDKYDSP-QHCPKHFHSA-N 418.405 3.538 0 3 HHAF CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@H](C)C3)c(C)c2)[C@H](C)C1 199272285 FBLNQPUDGFPTBG-FGZHOGPDSA-N 420.601 3.763 0 3 HHAF O=C(NCCCN1CCCC1=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 2478445 YZIXBDMEEIAMCL-UHFFFAOYSA-N 413.474 3.952 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 4048933 HRLLCPGKQPZWTJ-UPVQGACJSA-N 421.541 3.779 0 1 HHAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOCCO 4213591 MKYUOGLKJFECEB-PKTZIBPZSA-N 412.530 3.979 0 1 HHAF CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CCOC)c1=O 13536206 WFRBQBDMKNNANO-UHFFFAOYSA-N 403.523 3.509 0 1 HHAF CC(C)(CCCOc1ccc(S(=O)(=O)CCCC(C)(C)C(=O)O)cc1)C(=O)O 25977027 RMKSMTIUIUKFQC-UHFFFAOYSA-N 414.520 3.621 0 1 HHAF CCO[C@@H](Cc1ccc(CCCOC(=S)NCc2ccccc2)cc1)C(=O)O 28822030 USPTZSXVIKAREO-FQEVSTJZSA-N 401.528 3.743 0 1 HHAF COc1ccc([C@]2(c3ccc(C)c(-c4cccnc4)c3)NC(=N)N(C)C2=O)cc1C 34629565 AIBQLQGSZCUSCL-XMMPIXPASA-N 400.482 3.614 0 1 HHAF COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1 35827131 VJMYWLHHQXMODZ-UHFFFAOYSA-N 418.541 3.576 0 1 HHAF COc1cc(Nc2ncc3ccn(-c4ccc(C(=O)O)cc4)c3n2)cc(OC)c1OC 36348768 XMFVAZSIGGEFOD-UHFFFAOYSA-N 420.425 3.888 0 1 HHAF CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)C[C@H]2CCCO2)cc1 40900071 BRUMRVHYUJSDAO-HXUWFJFHSA-N 413.539 3.788 0 1 HHAF O=C(O)CC[C@H](O)c1ccc(OCc2ccccc2I)cc1 42922881 WEGOIKJZQUOMLD-INIZCTEOSA-N 412.223 3.768 0 1 HHAF COC(=O)c1oc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCCCC3)cc1C 49066854 ZRQQPRIJTHNAKJ-UHFFFAOYSA-N 413.499 3.991 0 1 HHAF CN[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@H](O)CNC(C)C)ccc4[C@H]3CC[C@]12C 66262620 RUQKSSQNZBKNNF-CDXAVQHRSA-N 400.607 3.868 0 1 HHAF O=C(c1cccc2ccccc12)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 71319385 QVGMLBNRFSFOLV-UHFFFAOYSA-N 420.293 3.788 0 1 HHAF CCCCCN1C(=O)[C@](CC(=O)N(C)C)(c2ccc3c(c2)OCO3)c2ccccc21 71332065 ZQEBHBWZOOZNMN-XMMPIXPASA-N 408.498 3.717 0 1 HHAF O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72102840 YYOSNTMKRHKCIS-GOSISDBHSA-N 407.417 3.704 0 1 HHAF CC1CCN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccco3)n2)CC1 82142569 DDSADOCNTDBEHV-UHFFFAOYSA-N 420.469 3.632 0 1 HHAF NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C1 82165811 DRMPYGGYBCZGTL-CYBMUJFWSA-N 405.483 3.715 0 1 HHAF Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2C[C@H]1CCCO1 82180225 KUZIDVTWRZDFLH-LJQANCHMSA-N 400.486 3.988 0 1 HHAF CC(=O)N=[S@](=O)(O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 89469091 IVMUZUPWYGYMJU-JYRVWZFOSA-N 414.468 3.548 0 1 HHAF COc1ccccc1-c1nc2cc3c4c(cccc4c2o1)C(=O)N(CCN(C)C)C3=O 95592997 LFFQVFYTPSBIOI-UHFFFAOYSA-N 415.449 3.814 0 1 HHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccc(F)cc2)cc1 100101584 BRVAYTCFNQFNDV-UBRQYEGLSA-N 422.525 3.930 0 1 HHAF CCCCOc1c(O)ccc2c1[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 100720348 NDMQGMHZJUILQN-FTBPSBKWSA-N 413.558 3.988 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncnc2-c2ccn[nH]2)C1 219401815 DLFARBVDEYIFIT-UHFFFAOYSA-N 407.783 3.737 0 1 HHAF COc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)cc1 220189909 JTQLLIXCAZUFFA-HXUWFJFHSA-N 404.466 3.700 0 1 HHAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@@H](C(C)C)C1 253917218 JOCGWOQFKXCOGL-MDLKPKIOSA-N 413.650 3.991 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@@H](O)CC 299887360 YSQNGPQWKLZHPF-ONGXBYRLSA-N 406.523 3.605 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccccc3C(=O)O)nc2c1 586882470 UTTWGGJYVXPZLC-VOTSOKGWSA-N 401.216 3.981 0 1 HHAF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Br 586976642 GTPKKLIDVAWUGO-HYXAFXHYSA-N 400.232 3.835 0 1 HHAF CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 586984507 GIIMRUSZPFFQQD-CQSZACIVSA-N 416.275 3.517 0 1 HHAF CC1=C(c2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)NNC(=O)C1 587007077 LMONZSYBJMXNPE-UHFFFAOYSA-N 418.682 3.796 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 587125919 HKAOPDNHUSUYBX-WKEGUHRASA-N 401.190 3.891 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582976 SGUUPWOTSJOBRV-NFBKMPQASA-N 422.437 3.557 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccnc1-c1ncccc12 587589922 YVOHTNMDUSHTMQ-UQBPGWFLSA-N 422.396 3.903 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742394 RCRXGZYCYWWNAZ-YUNKPMOVSA-N 421.310 3.679 0 1 HHAF COC(=O)CC[C@@]1(c2ccccc2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750997 VVIYMPPHCHHVJS-YUNKPMOVSA-N 421.310 3.901 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2Cc3ccccc3C2=O)N1 587776537 XGFUQTZBWNBWTD-FKIZINRSSA-N 403.295 3.994 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(Br)cn2ccnc12 587869336 HAPUENOFTZETHO-UHFFFAOYSA-N 402.227 3.882 0 1 HHAF COc1ccc2c(c1)[C@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)N[C@@H]1CC[C@@H]21 962995625 NIKRZRBRUVSUEG-TUVUNVSASA-N 421.453 3.633 0 1 HHAF CCN1C(=O)[C@@H](C(C)=O)[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963120544 JRQUGNYBWSCZPI-CTNGQTDRSA-N 403.309 3.954 0 1 HHAF O=C(O)c1cccc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1F 963201154 YDKFADFWQJDCIQ-DZGCQCFKSA-N 417.742 3.884 0 1 HHAF Cc1cc(-c2nc3cnc(N4CCOC[C@@H]4C)cc3n2[C@@H](C)CC2CC2)cn(C)c1=O 1772624699 UOAYQUDPHYEXAA-IRXDYDNUSA-N 421.545 3.692 0 1 HHAF CO[C@@H]1CCCC[C@@H]1n1nc(Oc2cc(C(F)(F)F)ccn2)c2c(N)ncnc21 1911576201 BIFFFOUNWHBZKP-NWDGAFQWSA-N 408.384 3.745 0 1 HHAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356658251 MAFJMPFLJJCSTB-RYTIKPESSA-N 404.547 3.865 0 1 HHAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N2CCc3ccccc3C2)cc1OC 2356439276 KYJFHGAAYGFGMS-CQSZACIVSA-N 408.454 3.611 0 1 HHAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)on1 61908233 JURIHYROMKVRSJ-NRFANRHFSA-N 418.497 3.686 0 3 HHAF O/N=c1\cc(-c2cc3sccc3cn2)oc2ccc(OCCN3CCOCC3)cc12 117382554 ZZDQKZBQRFBMBW-HKOYGPOVSA-N 423.494 3.710 0 1 HHAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccc(OC)cc3[nH]2)C1 2356621441 BIGKPZGVEQNRRK-HZPDHXFCSA-N 401.507 3.634 0 1 HHAF C[C@]1(O)CCN(Cc2cccnc2)[C@@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356627442 JBQLPKQWJJFMQT-XJUOHMSHSA-N 407.539 3.640 0 1 HHAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@H](NC(=O)CC2(CC(=O)O)CCCC2)C1 2356846438 ONYFGXMIESKVCG-MOPGFXCFSA-N 422.529 3.838 0 1 HHAF CN(C(=O)c1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCC1 61958638 CZROPMQMIQDRMI-UHFFFAOYSA-N 415.534 3.897 0 3 HHAF CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCN(C2CCCCC2)CC1 71928002 GCVSKFJCXAGMJX-UHFFFAOYSA-N 407.967 3.763 0 1 HHAF O=S(=O)(c1ccccc1)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 36188028 PSVDNXCKGLLSNE-UHFFFAOYSA-N 414.571 3.688 0 1 HHAF CCc1ccc(CN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 40918012 KSMQYJKWIPAZLB-QHCPKHFHSA-N 414.500 3.917 0 1 HHAF O=C(NCc1ccccc1)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459667 BILNIFDGLHDGMZ-OAQYLSRUSA-N 422.868 3.765 0 1 HHAF Clc1nc(N2CCC[C@H](Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1 199424326 SZQNYJJRFVIGJC-QGZVFWFLSA-N 411.937 3.838 0 1 HHAF COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccc(OCCN(C)C)cc1 96932205 AKKATVMDHBEASX-UPVQGACJSA-N 407.514 3.506 0 1 HHAF COc1ccc(-c2ccc(OCc3cc(C(=O)NS(C)(=O)=O)oc3C)cc2)cc1 141258378 FCBOMMXGDNXQJK-UHFFFAOYSA-N 415.467 3.532 0 1 HHAF CC(C)C(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2 95579049 JCQSMSMVCIKTKP-UHFFFAOYSA-N 402.454 3.588 0 1 HHAF CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 261145100 NSXLSPLHCXZYTR-YLQAJVPDSA-N 419.374 3.564 0 1 HHAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4cncc(C(=O)N5CCCC5)c4)cc3)nc12 474607070 ISVNQHKKOBCTGS-UHFFFAOYSA-N 411.465 3.627 0 1 HHAF CCOc1cc(/C=C/c2nc3c(O)nc(S)nc3[nH]2)cc(Br)c1OC 586977209 ZAHXIPMUKGDNRG-SNAWJCMRSA-N 423.292 3.687 0 1 HHAF Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N(C)C)nc12 587527752 ULSQAXVELVJXMX-IBGZPJMESA-N 403.482 3.654 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCOCC3)o2)N1 587773734 KQBPLMBCJWYBLQ-CWTRNNRKSA-N 409.299 3.637 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3ccccn3c2=O)N1 587704581 JPTYKHSQZGIHEF-ABKXIKBNSA-N 422.685 3.873 0 1 HHAF COc1ccccc1C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349521 IRIPGJFNGJMKFU-XUZZJYLKSA-N 422.408 3.965 0 1 HHAF NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091337 IQXOXYNSYPAMFJ-UHFFFAOYSA-N 404.270 3.684 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)nn2C)N1 587683155 OBYUOKNMYMZEAG-JKYUHCHBSA-N 403.093 3.708 0 1 HHAF O=C(O)/C=C/C=C\c1nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[nH]1 587969412 SBCSYXLBLJVVSH-KYPMKJFLSA-N 403.847 3.671 0 1 HHAF Cc1cccc2c1[C@@]1(NCC3(CCOCC3)c3cccc(C(F)(F)F)c31)C(=O)N2 962957019 NPSPOVKTOMFDIT-NRFANRHFSA-N 402.416 3.861 0 1 HHAF O=C(N[C@H]1CCOC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772578289 VATOXHDFJPTCPW-AWEZNQCLSA-N 403.360 3.960 0 1 HHAF COc1ccc(CNC(=O)[C@@H]2CC=C[C@@H]3CCN(Cc4ccccc4)C(=O)[C@@H]32)cc1 12479301 XESYTPPBFZMXFG-MZYLBHOOSA-N 404.510 3.552 0 3 HHAF CCN(CC)c1ccccc1C[S@](=O)c1nc2c(n1Cc1ccccn1)CCC2 13746334 YPHVYDHFJANTEX-GDLZYMKVSA-N 408.571 3.969 0 1 HHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(O[C@H]4CCOC4)cc3)oc2c1 168625928 YGXNSORNXNCSOR-KSSFIOAISA-N 405.454 3.913 0 1 HHAF CCCc1nn(C)c2c(NCCCN3CCOCC3)nc(/C=C/c3ccccc3)nc12 1857570533 HVMSKTVMLMYWCK-VAWYXSNFSA-N 420.561 3.620 0 1 HHAF CN1C(=O)S/C(=C\c2cc(OCc3ccccn3)c(O)cc2Br)C1=O 1857594479 ZBPJLWOFFNPSMG-CHHVJCJISA-N 421.272 3.795 0 1 HHAF CC1(C(=O)N2CCC(c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)CC2)COC1 1857743880 WHYFVDGJAPZVRH-UHFFFAOYSA-N 419.525 3.977 0 1 HHAF COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)c(F)c1 1857764167 NANSEMCRWOKEMY-FQEVSTJZSA-N 424.407 3.618 0 1 HHAF CN1CCN(c2ccc(-c3cnc4[nH]cc(NC(=O)c5cccnc5)c4c3)cc2)CC1 16051756 YJWJKKXGAPWLGT-UHFFFAOYSA-N 412.497 3.629 0 1 HHAF in-vivo O=[N+]([O-])C(/C=C(\Cl)n1nnc2ccccc21)=C(/Cl)n1nnc2ccccc21 1640433 ZACOVMXRKJFRPR-SMZCMUPTSA-N 402.201 3.555 0 1 HHAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCCN1CCCC1=O 2483426 QHOHHNDVDXASSE-UHFFFAOYSA-N 413.518 3.780 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1=O 4214884 QSGDKFLHDYLECJ-PMACEKPBSA-N 405.564 3.891 0 1 HHAF C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941327 KIXDFGLGWRVXHJ-KRWDZBQOSA-N 415.940 3.965 0 1 HHAF O=C(c1ccc(F)c(F)c1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 27558168 UPWDXNIJQRMIJY-UHFFFAOYSA-N 424.382 3.718 0 1 HHAF COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)Nc4ccccc4)[C@H]3C2=O)cc1OC 36383018 MWYGSRGOBICICG-XQFWAAQXSA-N 420.509 3.883 0 1 HHAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(-c3cccnc3)nc12 38319702 TZLOQVMITUMCFB-UHFFFAOYSA-N 414.448 3.585 0 1 HHAF Cc1c(CC(=O)O)c2ccsc2n1S(=O)(=O)c1ccc(C(F)(F)F)cc1 43206994 CKLMJXBANMHWBR-UHFFFAOYSA-N 403.403 3.894 0 1 HHAF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2cccc(Cl)c12 49051463 HJWBGQMLRPSPCX-UHFFFAOYSA-N 415.906 3.610 0 1 HHAF O=C(NC1CC1)N1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 95592897 WTUWYSGEYIEUDB-IBGZPJMESA-N 404.436 3.679 0 1 HHAF COc1ccc(CN2CC3(C2)[C@H](c2ccccc2)[C@@H](CO)N3CC2CCCC2)cc1 95664113 PVEWFAQTPYPZHC-JWQCQUIFSA-N 406.570 3.900 0 1 HHAF CCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 103255070 TVUTVUIMDIWCGE-TWJOJJKGSA-N 400.522 3.749 0 1 HHAF C[C@H](CCC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O 146763882 HOZJGVRZKLKDAT-CYBMUJFWSA-N 405.410 3.587 0 1 HHAF CCN(CC)C(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 146863920 YFDIXJPQUJISOI-UHFFFAOYSA-N 416.953 3.959 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2 199682194 RDDVYKBDIYAHDT-GOTSBHOMSA-N 400.588 3.548 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCCOc5ccccc54)ncc23)no1 219769568 XIBKCSONKHBWHR-HNNXBMFYSA-N 404.430 3.957 0 1 HHAF CCC(C)(C)C(=O)Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 223692429 WQCPPUQCXKXBDV-CQSZACIVSA-N 410.547 3.902 0 1 HHAF C[C@H]1c2nnn(-c3ncco3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 225980497 LJGSPQRLZRPJDD-VIFPVBQESA-N 411.771 3.687 0 1 HHAF C[C@@H]1Cc2c(nnn2-c2ncccc2F)CN1C(=O)c1cccc(Cl)c1Cl 225990868 VWBWBQPTYDWJSA-SNVBAGLBSA-N 406.248 3.695 0 1 HHAF Cc1nc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1Br 587005443 ILYNOHPIIRNACI-UHFFFAOYSA-N 403.465 3.902 0 1 HHAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587027528 RPKCDNHRDDSVHW-OIISXLGYSA-N 424.526 3.881 0 1 HHAF Cc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073114 BWUMPBWTODVESV-UHFFFAOYSA-N 422.920 3.664 0 1 HHAF Cn1nc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(I)c1C(=O)O 587180583 HFQAOUQGKQLAHX-UHFFFAOYSA-N 424.242 3.564 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2ccnc(Br)c2[nH]1)C[C@H]1CCCO1 587196821 XOQNVVZNXOLAMJ-LLVKDONJSA-N 411.300 3.637 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587344095 FOCAONFWAXTREN-OFNKIYASSA-N 401.397 3.952 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428916 NGMGDEFJKRWYNV-SPEDKVCISA-N 409.482 3.947 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1sc4c(c1C)C(=O)N/C(=C/Cl)N4)[C@@H](C2)C3=O 587453933 SSUYBMLZCHXDAR-FQSQIABESA-N 416.886 3.921 0 1 HHAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555784 MCEODCPROGYQTB-DYESRHJHSA-N 400.381 3.865 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587702801 WQRSFNCHBRLBGW-YYSFKGJASA-N 409.686 3.996 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)NC(=O)CO3)N1 587796606 QGJQNMDZCFLKLG-GIGQVBGESA-N 405.267 3.717 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799937 VEPUJOXYSDNZKI-BLWXERESSA-N 412.299 3.640 0 1 HHAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4cccc4)cc3)c2)c1 653883006 DQRXKJGGNMDDBJ-UHFFFAOYSA-N 412.449 3.803 0 1 HHAF CCOC(=O)[C@@H]1Cc2ccncc2[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961611871 DTNMVYSVHZJLQM-UWJYYQICSA-N 413.315 3.501 0 1 HHAF CC(C)(C)C(=O)Nc1cnccc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730680 OVWTVRBDMFKQBT-RDJZCZTQSA-N 405.420 3.801 0 1 HHAF CC(C)OC(=O)Cn1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962935152 ZADPOFIFDJWOIU-DEOSSOPVSA-N 419.525 3.530 0 1 HHAF Cc1ccc2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3ccc(O)c(C)c31)c1cc(N)ccc1S2 963547426 BMDIIPKFFUKCGL-MHECFPHRSA-N 418.518 3.947 0 1 HHAF O=C(O)c1ccc(N2C[C@H]3CN(C(=O)NCc4ccc(Cl)cc4Cl)C[C@H]32)cc1 1772580803 HXTLAORWBSDYFO-RDTXWAMCSA-N 420.296 3.722 0 1 HHAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1 1772642307 HNWAOXQUAXIEIQ-NRFANRHFSA-N 409.461 3.687 0 1 HHAF CNC(=O)c1cccc([C@](O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1 1857588857 WBJXJKJMBCJUJZ-HSZRJFAPSA-N 405.885 3.871 0 1 HHAF COCc1ccc(-c2cc3c(cc2F)ncc2c3n([C@H]3C[C@H](OC)C3)c(=O)n2C)cn1 1857632726 HAYQMMTYYBRDQT-WKILWMFISA-N 422.460 3.586 0 1 HHAF COc1ccc([C@@H]2C[C@@H](c3cc(O)c(OC)c(OC)c3)[C@@H](OC)CO2)cc1OC 2356665029 RBYCDKILRBFDGS-XERREHJYSA-N 404.459 3.687 0 1 HHAF Cc1nc(-c2ccc(F)cc2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccccn2)n1 2356846588 OOQLWENXEADAET-AJSBUHFISA-N 417.532 3.954 0 1 HHAF COc1ccc(CNC(=O)[C@@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1OC 61925607 QOZGUSYOIGUDEC-NRFANRHFSA-N 408.429 3.525 0 3 HHAF COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)c1 767492 QOJSVWMGYBSFEF-GGAORHGYSA-N 420.465 3.748 0 1 HHAF CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)o2)CC1 13743848 YDSCQKKEAORCNL-UHFFFAOYSA-N 411.546 3.902 0 1 HHAF C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(C(=O)c2ccccc2)c1 29135013 WPJSPPIENFHKJO-JTSKRJEESA-N 401.462 3.833 0 1 HHAF CC[C@@H](C)Nc1cc(-c2nc(SC[C@@H](O)CO)[nH]c2-c2ccc(F)cc2)ccn1 40393263 GMZIOTLCLOPOAC-DYVFJYSZSA-N 416.522 3.934 0 1 HHAF C[C@H]1C[C@@H](OCc2ccccc2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40915540 LPXGVLHUXSTHPK-HNAYVOBHSA-N 414.893 3.881 0 1 HHAF O=S(=O)(c1ccc(Cl)cn1)N1c2ccc(F)cc2-c2n[nH]cc2[C@H]1C1CC1 45315832 VQXVSGJBJIFAFR-GOSISDBHSA-N 404.854 3.924 0 1 HHAF O=C1CCCN1CCCn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21 82180154 LSTHEKLAGVICFN-UHFFFAOYSA-N 424.936 3.981 0 1 HHAF C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 82211405 LAROZIKMXUSMDG-LLVKDONJSA-N 421.284 3.557 0 1 HHAF Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3cn[nH]c(=O)c23)c2cc[nH]c12 147030352 XBZVWZQEIKYLHW-DOTOQJQBSA-N 403.490 3.533 0 1 HHAF CC(C)Nc1cc(-n2c3c(c4c2CC(C)(C)CC4=O)CCN(C)C3)ccc1C(N)=O 169308146 GQTAYJHCNIDUJF-UHFFFAOYSA-N 408.546 3.540 0 1 HHAF CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC(C)(C)C 200062333 YNMRJIMLEOQFSB-MTFMMBMASA-N 402.487 3.711 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253995084 DLYVTEULDNMQAR-UTNMRSSSSA-N 422.606 3.537 0 1 HHAF Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 299863778 LLJZIIDHTWBWSJ-JWHUVLAVSA-N 410.477 3.540 0 1 HHAF O=[S@@](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)CC1CC1 586958963 KMFIGMGOEMXOAO-AREMUKBSSA-N 423.947 3.676 0 1 HHAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(OCCN(C)C)cc2[nH]1 587065567 UNFIFDURNOHOCX-UHFFFAOYSA-N 403.866 3.557 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O 587108197 WYSUMWMSBHTYAZ-DFFLPILJSA-N 412.489 3.702 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 587182012 KQWVYSZHWFWBIP-ZCFIWIBFSA-N 422.057 3.984 0 1 HHAF CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCOCC2)cn1 587623335 QFGNTDOZEKMNQG-UHFFFAOYSA-N 415.295 3.527 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3cc(C)no3)c(=O)c3ccccc23)cc1OCC 587669331 JTKZNCVGYQAGQV-UHFFFAOYSA-N 419.437 3.846 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587772301 FKUSDHMWLSLZPX-BLVKFPJESA-N 407.283 3.714 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 587837026 YSUGQOTVSFQHOJ-RIPJAXHCSA-N 420.278 3.906 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 587843810 USOCSEYIUAWQOX-GIGQVBGESA-N 404.235 3.727 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 587843965 VKAQVMBWENHFMU-APBUJDDRSA-N 404.235 3.727 0 1 HHAF CCN(c1ccc(-c2csc(-c3cnc4cc(C)nn4c3)n2)cc1)S(C)(=O)=O 587923472 QYJPRPVFRSTNNM-UHFFFAOYSA-N 413.528 3.614 0 1 HHAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)CC(=O)NCc1ccc(C)cc1 961318416 GZZCNIVRMZVENG-RUZDIDTESA-N 410.558 3.820 0 1 HHAF COc1cccc2cc3c(nc12)[C@@H](c1c(Cl)cccc1S(C)(=O)=O)NCC3 963055656 KLVIOVKXUCAFMD-HXUWFJFHSA-N 402.903 3.535 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(=O)N(CC)C(=O)c1cc(OC)cc(OC)c12 963234054 DXROIDGJUIMYEC-PUAOIOHZSA-N 422.525 3.606 0 1 HHAF CC(C)(c1c[nH]c2cc(C3=NCCN3)ccc12)c1c[nH]c2cc(C3=NCCN3)ccc12 1772630179 CNMNMQDSVOXNTF-UHFFFAOYSA-N 410.525 3.675 0 1 HHAF O=C(c1cc2cnccc2[nH]1)N1CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 1857547202 JQGIWQRIGGATNJ-QFIPXVFZSA-N 424.504 3.659 0 1 HHAF CC(C)(C)c1ccc(N2N=C(COc3ccc(F)c(C(N)=O)c3F)CC2=O)cc1 1857569538 ZOHJNKYPQYDYID-UHFFFAOYSA-N 401.413 3.533 0 1 HHAF CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@](O)(C(C)C)C[C@H]12 1857599032 AZFMSHDJGVYLPE-ICNVXMQJSA-N 402.487 3.967 0 1 HHAF CCCCC(=O)Nc1ccc(CCN[C@@H](CO)c2ccc(O)c3nc(O)ccc23)cc1 1857651742 YGFAZOGSVUPPGW-FQEVSTJZSA-N 423.513 3.640 0 1 HHAF 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1 HHAF CN1C(=O)c2c(nc(Cc3ccccc3)n2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 13763706 OFRZXTVGKKZWSO-UXHICEINSA-N 411.509 3.705 0 1 HHAF COc1cc(C[C@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc(OC)c1OC 14829805 VGUAMWQXVLMWPW-LZNQSLFOSA-N 418.486 3.745 0 1 HHAF COc1ccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1OC 16040622 CNHBRPRPNVFMPH-GOSISDBHSA-N 419.481 3.809 0 1 HHAF biogenic O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)c3ccc4c(c3)OCO4)[C@@H]2C1 26158641 MEOIIKOGHGNDTH-FIBXRVAVSA-N 400.471 3.593 0 1 HHAF CC(C)Oc1cc(OCCc2cccnc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 28523871 FEQMDFMPPPXPCM-UHFFFAOYSA-N 421.453 3.836 0 1 HHAF Cc1c(Br)c(=O)oc2c(Br)c(N)c(Br)cc12 29131684 BIROXPAEBQMLLQ-UHFFFAOYSA-N 411.875 3.971 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 33820906 XFPBNKZTJHGPKH-RXBMHRJUSA-N 406.563 3.657 0 1 HHAF COc1cccc(Nc2c(-c3nnc(C)o3)cnc3ccc(S(C)(=O)=O)cc23)c1 40913479 XDUCHKLSMUQENW-UHFFFAOYSA-N 410.455 3.749 0 1 HHAF 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3.817 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCCC3)nc2)N1 587766574 OAFUJHSVNLPKSI-SGTLLEGYSA-N 405.315 3.992 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C3CCN(CC3)[C@H]1Cc1cccnc1)N(C)[C@H](C)C2 962564702 HHEMQKDABRTWAD-XATISFHKSA-N 407.558 3.507 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](C)(CNC(C)C)N2C(=O)OC(C)(C)C 962701940 DNSYAOUIJQFVLZ-XZOQPEGZSA-N 420.525 3.690 0 1 HHAF CCn1nnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21 1857565991 CHMKTRHKJCWPKZ-UHFFFAOYSA-N 411.462 3.508 0 1 HHAF Oc1n/c(=C\c2ccc(Cl)o2)c(O)n/c1=C\c1cccc(Oc2ccc(F)cc2)c1 1911586761 LPAWMOPVHXAJEA-ZAORYEFMSA-N 424.815 3.723 0 1 HHAF CC1=CCC2=C(C(C)C)CC(=O)O[C@]2(C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@H]1O[C@@]3(C)O 2356532434 YAEXNKPEJYCROB-WBNGOHOVSA-N 416.514 3.945 0 1 HHAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356658252 MAFJMPFLJJCSTB-SCDJJRRNSA-N 404.547 3.865 0 1 HHAF COc1ccc2nc(NC(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)sc2c1 2465422 FJAJSTIFFGHIDM-UHFFFAOYSA-N 418.478 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587631933 MSTMEQAXPWOXMI-UHFFFAOYSA-N 400.793 3.933 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCC(=O)CC1 587234527 OLOXORGBVMYHOU-UHFFFAOYSA-N 401.463 3.587 0 1 HHAF COC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587590793 ASBHYRUDZYTMCE-XUZZJYLKSA-N 420.417 3.821 0 1 HHAF CNS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586993001 CTPCAOJURVAXFA-UHFFFAOYSA-N 416.458 3.727 0 1 HHAF O=[S@@](CCCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1 586960311 OJRXYDJZGSPIFG-DEOSSOPVSA-N 407.333 3.601 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 587872665 QEVZREYDLHUCHU-SFHVURJKSA-N 407.445 3.777 0 1 HHAF COc1ccc(C[C@H](C)c2nc3cc(I)cnc3[nH]2)cc1OC 587927000 QQKBFIWTDLMOFC-JTQLQIEISA-N 423.254 3.926 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(c3ccccc3C(=O)c3cc(N)ccc31)N(C)[C@H](C)C2 962628365 HFSMNKDJULNQFJ-WZQKQDCOSA-N 414.505 3.999 0 1 HHAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@]1(C)c2nn(C)cc2CCN1C 963953703 CMJINPOEDXIERP-JOCHJYFZSA-N 412.921 3.964 0 1 HHAF COc1cc2c(cc1[C@@H]1NC3(CC3)Cc3ccc(Br)cc31)OCCO2 961616938 SFUGAGBYDNWQPE-LJQANCHMSA-N 402.288 3.997 0 1 HHAF Cn1cnc2cc([C@@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)cnc21 962960701 UNRGHNSWPMWSJD-SFHVURJKSA-N 402.420 3.728 0 1 HHAF CCn1cc([C@@]2(C(F)F)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963184763 UAGJAONVPYSYSK-CZUORRHYSA-N 423.769 3.683 0 1 HHAF Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncnn3c2)n1 169335937 LASDRZSKVSSTHA-UHFFFAOYSA-N 409.453 3.602 0 1 HHAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697174 CBQSITUTOXWCDZ-PUZFROQSSA-N 416.562 3.696 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2F)c1 169707056 ITDPDBBVCVWRMP-KRWDZBQOSA-N 406.461 3.706 0 1 HHAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccc(Br)o3)oc(=O)c12 3584879 YWHDSBFXDCMGEU-DNQSNQRASA-N 409.261 3.804 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NOC)cc21 1857583682 KONMZBUSMQIAJY-UHFFFAOYSA-N 401.466 3.632 0 1 HHAF Cc1cc(C)cc(Oc2cc(-c3c(C)nnn3C3CCN(C(=N)N)CC3)ccn2)c1 1857559275 PZCJRXSGODWKKO-UHFFFAOYSA-N 405.506 3.588 0 1 HHAF O=C1CCC(CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)CC1 1857628224 OCJNALOVLBONTF-UHFFFAOYSA-N 417.915 3.908 0 1 HHAF COc1ccc([C@H]2c3c(c(Br)c4c(c3OC)OCO4)CCN2C)cc1 1857645104 PWTULIRFSPOULP-INIZCTEOSA-N 406.276 3.772 0 1 HHAF OC[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3c(-c4cccs4)ncnc32)[C@@H](F)[C@@H]1O 1857648451 XAMXPVYEZXUJJX-AHAHFWPDSA-N 419.865 3.555 0 1 HHAF COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCCCOc1ccccc1Cl 2878452 GCQFAFMRHXUJOD-PTNGSMBKSA-N 418.902 3.542 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCOC 4310531 IHHXWAXUQDBHTQ-RTWAWAEBSA-N 406.523 3.870 0 1 HHAF COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)O[C@H]3OC 14435109 XURLTFUKDPZAPN-JOCHJYFZSA-N 410.378 3.774 0 1 HHAF biogenic C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CSCCO 16040826 WKAQQKOGFMXBAK-OYGDUULSSA-N 406.588 3.544 0 1 HHAF biogenic O=C(O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O 16052180 JDARUOOLJCFUOY-UHFFFAOYSA-N 400.390 3.525 0 1 HHAF in-vivo CCN(CC)C(=O)c1ccc([C@H](c2cccc3c2OC(C)(C)C3)N2CCNCC2)cc1 22939856 JADQIZMTGFFEHQ-HSZRJFAPSA-N 421.585 3.877 0 1 HHAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(Cl)cc2)ccc1=O 25418991 VDQOKWYWWOHUDB-QAPCUYQASA-N 405.885 3.823 0 1 HHAF biogenic COc1cccc(N2CNC(=O)C23CCN([C@@H]2Cc4cccc5cccc2c45)CC3)c1 26395959 KYEGXXGTSVOJRL-HSZRJFAPSA-N 413.521 3.874 0 1 HHAF Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)cc2nc(-c3ccco3)nn12 28381521 FHZXXVAGKWBZMO-OAHLLOKOSA-N 423.908 3.696 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(NC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410519 ATNLARLOBDNYEU-LDRBJFAESA-N 403.611 3.839 0 1 HHAF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CC=CCC3)co2)cc1 34375060 RMUZVTOIYMOXNI-UHFFFAOYSA-N 401.466 3.603 0 1 HHAF Cc1ccc(C(=O)O)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O 64415652 RBICVYLACYVHQF-UHFFFAOYSA-N 407.376 3.947 0 1 HHAF CN(C)c1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 84619714 HBSXFDPCGHRIQF-YBEGLDIGSA-N 403.232 3.745 0 1 HHAF [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@@H]5CCNCC[C@@H]5F)c4n3)n2c1 96175087 GFVZLOMZOSEUPY-FUHWJXTLSA-N 402.433 3.964 0 1 HHAF CCCCCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 103173551 JGNQGCFKLGJQFX-UHFFFAOYSA-N 413.587 3.656 0 1 HHAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3c3ccccc3Cl)cc2N1 116254675 RUKPVCRQZBPQLI-QFIPXVFZSA-N 406.825 3.525 0 1 HHAF CS(=O)(=O)N(CC1CCCCC1)C[C@H](O)Cn1c2ccccc2c2ccccc21 148593290 GZHMELLIVCKQSA-IBGZPJMESA-N 414.571 3.997 0 1 HHAF N[C@H]1CC[C@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]2C1 169344306 XBHGTEQGRIWAQJ-MJLGCCKJSA-N 413.873 3.807 0 1 HHAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCCc2ccccc2)c(OC)c1 169729870 AYKYFDQJWBDOAU-NHCUHLMSSA-N 410.470 3.721 0 1 HHAF Ic1ccc(NCc2ccc(CN3CCOCC3)cc2)cc1 299820684 ICONPQYUDFWBBQ-UHFFFAOYSA-N 408.283 3.736 0 1 HHAF COc1cccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)c1OC 299838509 UVHWEUYCPFUIKD-CFKGEZKQSA-N 416.562 3.634 0 1 HHAF C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 299879097 KFMMSMOZISSCAW-KDODGVQGSA-N 413.558 3.567 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)cc1C(=O)O)O2 587387742 WHHVBEJFESKSDT-OAHLLOKOSA-N 423.206 3.587 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3noc(CN4CCCC4)n3)cc1)O2 587395225 LYAMSMSDBWOVTD-HXUWFJFHSA-N 404.470 3.930 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O 587438403 PADCCZSIJFPLNN-KFSOKAEPSA-N 407.466 3.860 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O 587440504 AOKRETFUPRGHSZ-YADARESESA-N 407.466 3.575 0 1 HHAF COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587589863 AXCIBMKXOVVUMS-NKNQFRNOSA-N 402.402 3.910 0 1 HHAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750122 GSBCKGXSGODFNE-WLRWDXFRSA-N 409.299 3.901 0 1 HHAF C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587765675 DGTJYBUYFLXQEZ-MTJIALIYSA-N 418.310 3.600 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 587767088 IKWBTHYRCNQCKM-ZQWRNJAYSA-N 417.322 3.844 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O 587797512 VTFVTJDOAFYDPX-APBUJDDRSA-N 424.266 3.684 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3c(Cl)ncnc3Cl)N12 962672164 SQZGTWRWHIQOPU-AUUYWEPGSA-N 403.269 3.520 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1C(C)(C)Br 963139977 IXCCLWGTUXYIQS-ONGXEEELSA-N 405.314 3.604 0 1 HHAF CCO[C@@H]1C(=O)N(c2ccc(OC)c(Cl)c2)C(=S)N1Cc1ccc(F)cc1 1857763757 BYXYTUGDXXKPOB-GOSISDBHSA-N 408.882 3.984 0 1 HHAF CC[C@@H]1Cc2cc(OCC3CCOCC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857764973 FUQRWLWEQNENDC-MRXNPFEDSA-N 413.470 3.535 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289256 RYOZJKHJIXBTMY-HWBMXIPRSA-N 406.526 3.700 0 1 HHAF O=C(NCCCN1CCCC1=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 2478348 ISVXNDDCMLGISN-UHFFFAOYSA-N 407.445 3.890 0 1 HHAF CC(C)c1c(C(=O)NCc2ccccn2)cnn1-c1nccc(-c2ccccc2F)n1 12125741 PFFHWFKEHKOQHR-UHFFFAOYSA-N 416.460 3.917 0 1 HHAF Cc1ccc(C[C@]2(CCC(=O)N(C)Cc3ccc4nccnc4c3)CCC(=O)N2)cc1 12281142 YKFPKVLZFWSHIR-RUZDIDTESA-N 416.525 3.568 0 1 HHAF CCCCN1CC=C(c2c(CO)c(CO)cc3c(OC)cc(OCC)cc23)CC1=O 26641774 GLUBDWKKNWGCBI-UHFFFAOYSA-N 413.514 3.648 0 1 HHAF CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(OC)cc3)n2CCO)cc1 29124631 BIMIUBCICVYJIN-GYHWCHFESA-N 411.527 3.527 0 1 HHAF Cc1ccc2c(c1)c1nnc(SCc3ccc(CC(=O)O)cc3)nc1n2C(=O)O 40861276 QVMJVFSHVPPKCP-UHFFFAOYSA-N 408.439 3.733 0 1 HHAF COc1cc(Nc2ncnc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC 71316307 MTMFBNKTKJENJB-UHFFFAOYSA-N 404.430 3.933 0 1 HHAF COc1cc2nc(N3CCCN(C)CC3)nc(NCCC(C)(C)C)c2cc1OC 82129843 RBUMEHVVHRRBLJ-UHFFFAOYSA-N 401.555 3.637 0 1 HHAF O=C1C[C@@H](c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 96938059 IAWRUFRDSYWJEH-IBGZPJMESA-N 418.324 3.616 0 1 HHAF CC(=O)OC[C@]1(C(=O)O)[C@H]2CC[C@@]34C[C@@H]5[C@@H](C[C@H]3[C@]2(C)CC[C@H]1OC(C)=O)[C@]5(C)C4 102235027 LHKQQWKOWNPPSN-KUYGQCCZSA-N 418.530 3.815 0 1 HHAF N#Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3F)c2c1 113503279 RXTJGSUALHRESK-UHFFFAOYSA-N 420.425 3.605 0 1 HHAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2ccc(F)cc2F)s1 114603745 SWJBDTDOOUUIAP-UHFFFAOYSA-N 419.438 3.674 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCCC4)c3F)C2)cc1 169709887 KVMONNAJTNYECF-OXJNMPFZSA-N 412.509 3.676 0 1 HHAF C[C@@H](CC(N)=O)N[C@@H](c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F)C1CC1 220712412 XKAUDUVIUBRRIV-LAJNKCICSA-N 418.896 3.507 0 1 HHAF CCO[C@H](Cc1ccc(OCCN2c3ccccc3O[C@@H]3C=CC=C[C@H]32)cc1)C(=O)O 253635695 ACYMEKQXUVUFGC-KIFXHHALSA-N 421.493 3.860 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1cc3cc(CO)oc3cc1[C@@H](NC(C)=O)CC2 299862360 JNONKELWRAOUTI-SFHVURJKSA-N 411.454 3.741 0 1 HHAF CN(c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1)S(=O)(=O)c1ccccc1 299865553 NVGOOTBBULBRGL-UHFFFAOYSA-N 403.467 3.931 0 1 HHAF CCC(C)(C)c1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1 586882263 YOLVGRVITCFGRC-UHFFFAOYSA-N 413.543 3.938 0 1 HHAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cs1 587019682 UHLXQFFTCLNYTQ-UHFFFAOYSA-N 405.443 3.836 0 1 HHAF Oc1c(Br)ccc2nc(-c3cncc(I)c3)[nH]c12 587184145 FHTWWNAIAGLWCX-UHFFFAOYSA-N 416.016 3.698 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O 587450085 DHDWPISGOIUUBV-KKAKJJSRSA-N 404.491 4.107 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587789764 COXDUPPLYMDHSY-YNKQFZHNSA-N 402.304 3.553 0 1 HHAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)CC(=O)NCc1ccc(C)cc1 961318417 GZZCNIVRMZVENG-VWLOTQADSA-N 410.558 3.820 0 1 HHAF O=C(C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21)c1ccco1 962765759 NFSDSHSYUMNDGN-MEDUHNTESA-N 421.293 3.684 0 1 HHAF CNC[C@@H](O)CN1CCc2c(cccc2OCc2ccc(-c3ccccc3)cc2)C1 1857555208 JWUOHCNXVITZDK-XMMPIXPASA-N 402.538 3.871 0 1 HHAF Cc1cc(C)nc(NC(=S)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1857638655 HRSQEQAWGRSEMT-UHFFFAOYSA-N 422.476 3.872 0 1 HHAF C[C@]1(O)CCN(C(=O)C2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356288683 JFBUMSFYTRLBND-HWBMXIPRSA-N 412.574 3.966 0 1 HHAF CC(C)Oc1ccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1 11970746 LADCUTUZHAZJNV-LJQANCHMSA-N 407.445 3.803 0 1 HHAF O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCC[C@H]1c1cccnc1 19595457 YTCPXHRFXNNDPP-QFIPXVFZSA-N 402.498 3.995 0 1 HHAF CC1(C)CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O 26988850 GACPRWAFZBLVIL-UHFFFAOYSA-N 418.298 3.744 0 1 HHAF C[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)C(=O)[C@@](C)(O)CO)[C@H]1[C@@H]2CC[C@@H]3C 34560189 WCMVXSJCZKPSHR-YLDQOUOESA-N 404.591 3.875 0 1 HHAF c1cnc(NCCc2ccncc2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 66122841 GQWOYDSRMCLAPK-UHFFFAOYSA-N 416.441 3.696 0 1 HHAF CC(C)(CN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O)c1cccc(F)c1 72124577 JXGWNMNULMTUOD-FQEVSTJZSA-N 410.445 3.550 0 1 HHAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1 73141543 ABJNUQJHFKXQCQ-UHFFFAOYSA-N 409.467 3.809 0 1 HHAF CC(C)CN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccco1 82141922 LWGYOUJUTGQPQR-UHFFFAOYSA-N 408.458 3.805 0 1 HHAF CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C)N2 82206950 KDUWQUMNJGIKOB-INIZCTEOSA-N 406.530 3.874 0 1 HHAF CC(C)(O)[C@@H]1Cc2c(cc3oc(C4(O)CCCC4)cc(=O)c3c2OC2CCCC2)O1 85594478 XXTNSCUVJBTGFF-IBGZPJMESA-N 414.498 3.950 0 1 HHAF biogenic,in-vitro Cc1nn(C2CCOCC2)c2sc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc12 114713568 HGWBIPWAXDOMPA-UHFFFAOYSA-N 412.515 3.712 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(NCC4CC4)ncc3F)C2)cc1 169709899 UFPAVFBRSSPFEZ-MGPUTAFESA-N 412.509 3.897 0 1 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc3)c(C)c2c1 238743108 TWGHXVKHVUGVCO-LGFCNULLSA-N 410.466 3.648 0 1 HHAF COc1ccc([C@H]2[C@H]([C@@H](O)c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 299827925 OZPMIDOWTQVOPM-VJBWXMMDSA-N 405.450 3.847 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586891295 PPFPURMSVOIAHJ-QRWLVFNGSA-N 401.532 3.787 0 1 HHAF COC(=O)C1(c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)CCOCC1 586991251 LURSZPKZAFISLK-UHFFFAOYSA-N 403.434 3.681 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 587030376 CSUGZJMXMVDKFZ-IXIHQHOXSA-N 413.528 3.789 0 1 HHAF COc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2n1 587168060 RRRMUPNWJXXRSO-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF COc1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2n1 587170252 MAJAEJZTFYPBHT-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@H](C)C(=O)N(C)C 587387567 QCESRZGFQLFIJT-VLIAUNLRSA-N 412.486 3.538 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)O2 587409720 NWKITMJLGDSDJE-NRFANRHFSA-N 424.478 3.723 0 1 HHAF CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517219 JJKOWZLXDRDFPE-OPUIEBAWSA-N 412.530 3.966 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc2ccccc2s1)C(O)O 587617123 IQTSQZYRWDEHMY-WMZHIEFXSA-N 420.442 3.775 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587746817 IALVCFOKWJBQFF-APBUJDDRSA-N 409.299 3.985 0 1 HHAF 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DZTKOFKGEJBKKE-SJORKVTESA-N 421.588 3.648 0 1 HHAF CCC(CC)C(=O)Nc1cc(NC(=O)NCc2ccccc2)ccc1OCC(=O)O 103250980 QQRBCGYRJUDQFS-UHFFFAOYSA-N 413.474 3.846 0 1 HHAF Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC(C)(C)C3)no2)cn1 150070649 OMQPVVGBQSPADM-UHFFFAOYSA-N 401.474 3.615 0 1 HHAF O=C(Nc1ccc(O[C@H]2CCCN(C(=O)C3CCC3)C2)cc1)N1Cc2ccncc2C1 166772207 BWBZRUYICNPDHX-QFIPXVFZSA-N 420.513 3.799 0 1 HHAF CC[C@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 169290784 GZTRBGOKFUFZBR-YVNLVFAWSA-N 416.514 3.657 0 1 HHAF COc1cccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC 169715406 DIBKCKZXBFTWSV-YBTHPKLGSA-N 419.886 3.732 0 1 HHAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@@H]2CN(C(=O)c3ccccc3)[C@@H]2C1 205434961 GAIJRQBCRJNVSN-CRAIPNDOSA-N 404.297 3.659 0 1 HHAF COc1cc(C(=O)O)nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1 473086375 BPXOORUEPPGPFJ-XYYAHUGASA-N 407.392 3.832 0 1 HHAF COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC 473149166 IIMVXAUGGZVGEA-UHFFFAOYSA-N 412.530 3.636 0 1 HHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586939445 OXKSBOZAJPADEE-QMMMGPOBSA-N 401.385 3.863 0 1 HHAF COC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2n1 587030573 FYIVKVLNQJPJMO-UHFFFAOYSA-N 403.261 3.971 0 1 HHAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444621 WNNJTLQCNHFATG-GLDPYIMESA-N 410.466 3.936 0 1 HHAF CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc21 587572929 XNKFOJGGQFNAIV-XXBNENTESA-N 405.381 3.755 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(F)cc2)n1 587573778 XOLJYQDXSNTCLW-DENIHFKCSA-N 403.369 3.815 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cccnc1)CC2 587579854 ADDGUHBQXISXRM-NRFANRHFSA-N 402.450 3.784 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2C1 587594105 LBJDDPZXVDGTOM-PVIPAOTJSA-N 423.465 3.835 0 1 HHAF COc1cccc(C[C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804712 BRGDHSDFFPAUFC-JEOXALJRSA-N 408.267 3.654 0 1 HHAF CCOC(=O)C[C@@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834236 KIPGRWXGCHYESY-BUXKBTBVSA-N 414.315 3.698 0 1 HHAF C=CN1CC[C@H]([C@]2(CSC)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587847668 VAFYCHDOKNULRU-YNKQFZHNSA-N 413.356 3.673 0 1 HHAF O=C(O)/C=C/C=C\c1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 587969704 VIQQAFIUZDEJOU-HSFFGMMNSA-N 403.847 3.671 0 1 HHAF COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)c1OC 962640695 XBEAZOLBQYJWOF-CXAGYDPISA-N 411.376 3.599 0 1 HHAF CCc1cc(C)cnc1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963131702 AXIZJLQYZWTSIA-ZBFHGGJFSA-N 403.504 3.745 0 1 HHAF Cc1cc2c(cc1O)[C@](c1ccc(F)c(F)c1)(c1ncccc1C)N[C@H](C(=O)O)C2 963490413 JSQFNZGNXDPKQM-WMZHIEFXSA-N 410.420 3.573 0 1 HHAF CC(=CC=CC=CC=C[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C)[C@@H]1O[C@@H](C)C=C[C@@]1(C)O 2356422554 PZGCPRNZYVNMNV-WZMBXNLESA-N 412.526 3.853 0 1 HHAF Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 61923169 OKTLUHLPRNUIIK-VAMGGRTRSA-N 408.527 3.715 0 3 HHAF CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 1836886 VOGCMEWLCBQHHN-QZTJIDSGSA-N 424.478 3.908 0 1 HHAF CN(CC[C@@H]1CN(C)C(=S)c2cc(Br)cnc2O1)Cc1ccccc1 26279175 UTUVOWIBJLCVSP-MRXNPFEDSA-N 420.376 3.735 0 1 HHAF O=C(O)CC/C=C\C[C@H]1[C@@H](F)CC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1 28229821 IJVKHXWSLDAOCX-WLCRSXAISA-N 403.903 3.794 0 1 HHAF CCCCc1nn(C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28243138 ZYCHVMPVOUUOGE-UHFFFAOYSA-N 416.485 3.899 0 1 HHAF COCc1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 28523552 NEQGKLJDKQBDSR-UHFFFAOYSA-N 411.465 3.609 0 1 HHAF COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1 28528696 KBWHXMDBZQWTBZ-UHFFFAOYSA-N 411.477 3.641 0 1 HHAF CC(C)N1CCN(C(=O)c2ccc([C@H]3CC[C@H](C(=O)O)c4ccccc43)cc2)CC1 38192508 QIFKQEXMAAANPV-OFNKIYASSA-N 406.526 3.947 0 1 HHAF COc1ccc(-c2nc3cc4ccccc4nc3[nH]2)c(OC[C@H](O)CNC(C)C)c1 45187593 JNRMQCQMGQFRAN-MRXNPFEDSA-N 406.486 3.524 0 1 HHAF COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4cc(C)[nH]c4c32)cc(OC)c1OC 71317677 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COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1CCCC(=O)O)[C@@H](C2)C3=O 587444205 SFKRCVCFKPPFFH-QMHKHESXSA-N 412.438 3.608 0 1 HHAF Cc1nnc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)s1 587616037 ATQXYZNMRDBFLJ-KRWDZBQOSA-N 409.467 3.553 0 1 HHAF Cn1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)n1 587621400 DMCWIPIQOMHTJZ-UHFFFAOYSA-N 412.169 3.952 0 1 HHAF COc1cc(OC)cc(C(C)(C)OC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587652936 PBZPILGROZCXQS-UHFFFAOYSA-N 402.834 3.987 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 587746286 MCVFETIUBYLVFZ-JEOXALJRSA-N 407.283 3.813 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cn2ccsc2n1 587870125 ZZCBPVIPZUZWPY-UHFFFAOYSA-N 407.377 3.565 0 1 HHAF O=C(/C=C/c1ccc2c(c1)OCO2)NCCN=c1c2c([nH]c3ccccc13)CCCC2 653706314 IJEWPSSJVJCYAN-ZRDIBKRKSA-N 415.493 3.506 0 1 HHAF COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2OC)cc1C 653846250 OTIFKTPRWNLAPH-OAQYLSRUSA-N 423.513 3.878 0 1 HHAF COC(=O)N(C[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12)c1ccccc1 962666125 MFWQPXSZAMXAKZ-YKSBVNFPSA-N 419.481 3.648 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cccnc2OCC(F)(F)F)N1 962957424 BSBIMHLDMSVUFI-RISCZKNCSA-N 422.737 3.643 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(N1)C(=O)Nc1ccc3ccccc3c12 962981594 VHQIEWNRCUBDFN-YCRPNKLZSA-N 414.795 3.566 0 1 HHAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1ccc(-n2ccnc2)c(F)c1 963186877 KDORDVLKNNSLFY-QHCPKHFHSA-N 423.488 3.769 0 1 HHAF CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SC1CCCCC1 1857552616 WZHPNNQXMINMAU-UHFFFAOYSA-N 404.985 3.942 0 1 HHAF O=C(c1nsc2cc(N=c3[nH][nH]c4cccnc34)ccc12)N1CCC(F)(F)CC1 1857580585 MXGSKOMLNVUMSY-UHFFFAOYSA-N 414.441 3.604 0 1 HHAF COC1=C(OC)[C@H](OC)[C@@H]2C(=C1)[C@H]1O[C@@H](c3cc4c(c(OC)c32)OCO4)[C@@H](C)[C@H]1C 2356450623 CFKXMCHMUWMKDV-IZABRJHUSA-N 416.470 3.693 0 1 HHAF COc1cccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@@H]3[C@@]2(C)CO)c1 2356597556 LTVRENYEGNIEJW-FKXIVILXSA-N 417.502 3.753 0 1 HHAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 2489292 VJFZQYUUDPEAGF-RXVVDRJESA-N 417.594 3.519 0 1 HHAF O=C(O)c1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 2600530 HQNSGYDPHZYNSK-IBGZPJMESA-N 402.450 3.765 0 1 HHAF Cc1ccc2nc(NC(=O)c3cccn(OCc4ccc(F)cc4)c3=O)sc2c1 4326030 RQXKEOJWQPZVIJ-UHFFFAOYSA-N 409.442 3.787 0 1 HHAF CC1(C)OC(=O)C(Oc2ccc3ccccc3n2)=C1c1ccc(S(C)(=O)=O)cc1 26957242 BKAIDULGUXNMAB-UHFFFAOYSA-N 409.463 3.764 0 1 HHAF COc1c(NC(=O)NC(C)C)c(OCCN2CCCCC2)c(OC)c2occc12 29395747 PMHBYGCVTWAOPU-UHFFFAOYSA-N 405.495 3.845 0 1 HHAF CC[C@H](C)[C@@H]1C=C[C@@H]2[C@H](O)[C@H](OC(=O)C=C(C)CC(=O)O)C[C@H](C)[C@H]2[C@@]1(C)C(C)=O 2356573232 FUTZVCABGNACKX-VWORNHQRSA-N 420.546 3.780 0 1 HHAF COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 117252607 IPYHGTQGYJQMOA-UHFFFAOYSA-N 417.513 3.645 0 1 HHAF O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3ccc(Cl)cc3)CC2)o1 26293356 XXHVUJBZPHPLAI-UHFFFAOYSA-N 401.869 3.792 0 1 HHAF CCCNC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1 66074462 AMUTWCWVEMBEFZ-UHFFFAOYSA-N 403.530 3.635 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2CC[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@@H]21 2356813543 CHWCXTAKZKUCIZ-CVBBHZCASA-N 412.567 3.774 0 1 HHAF COc1cc2c(cc1OC)[C@H]1C(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)O[C@H]1CO2 3197727 MTTUVGLGBORPBI-RBUKOAKNSA-N 410.422 3.714 0 3 HHAF biogenic,in-vitro O=S(=O)(c1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(NC3CCNCC3)cc12 35279651 HZRZQOUQOVQKQP-UHFFFAOYSA-N 424.448 3.578 0 1 HHAF COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)c(OC)c1OC 14436529 BPMLVNRKNZLDRI-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF biogenic N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c([C@H]3CC[C@H](O)CC3)n2)C1 139448235 AYZUBCLOFTTWJJ-NCOADZHNSA-N 412.509 3.871 0 1 HHAF COc1cc(OC)c([C@@H]2CC(=O)n3c2c(/C=C/C(=O)O)c2ccccc23)cc1OC 45286753 NNRKUMHQDADXAG-FDMDGMSGSA-N 407.422 3.941 0 1 HHAF O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCN(CCO)CC1 49073437 OZXHZHSFZLIIAV-UHFFFAOYSA-N 405.901 3.652 0 1 HHAF COc1ccccc1-c1cccc2c3c([nH]c12)[C@@H]1C[C@H]2[C@@H](C(=O)N1CC3)[C@H](C)ON2C 199737729 HRSBHLADVZVQKW-YXXMBDFVSA-N 417.509 3.923 0 3 HHAF O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccc2nsnc12 199358944 WJBWWMGNRURRPC-QGZVFWFLSA-N 414.918 3.656 0 3 HHAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cnccc4F)c3CCN12 149137052 YKCQLQAONFBECQ-UHFFFAOYSA-N 413.456 3.648 0 1 HHAF C/C(=C\C=C\[C@@H](C)C[C@@]1(C)O[C@@H]1[C@H](C)[C@@H](O)[C@@H](C)O)[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C 255269674 TVGPUJOEKQVGKN-CMTJFJBNSA-N 424.578 3.709 0 1 HHAF Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1 263590278 GRPVBCJOCSTEDG-CJNGLKHVSA-N 408.882 3.520 0 3 HHAF CCNC(=O)Nc1nc2cc(-c3ccc([C@@H](O)CC)nc3)c(F)c(-n3cccn3)c2[nH]1 299818934 APVIUBQKLNUTJL-INIZCTEOSA-N 423.452 3.535 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(OC)c(OC)c3)nc2c1 587926095 HNRSBXVIKILQRR-UHFFFAOYSA-N 405.248 3.720 0 1 HHAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527465 WYEVHHURJGYVIY-FDDCHVKYSA-N 402.487 3.812 0 1 HHAF CCc1ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1Br 586975990 AVKOJQINPQJQLT-UHFFFAOYSA-N 408.321 3.805 0 1 HHAF O=C(c1ccnn1C(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656385 YZMKMAKFWXCYGC-UHFFFAOYSA-N 402.307 3.622 0 1 HHAF CCCc1c(O)ccc2c1OC1(CCN([C@H](C(=O)O)c3ccccc3)CC1)CC2=O 587476029 OBXDTFFUWNKXRL-NRFANRHFSA-N 409.482 3.970 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 587759813 VSBQKTLOARBPEA-YBTHPKLGSA-N 416.294 3.652 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587719226 PJIKHUTXDWYKRF-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF CC(C)n1c(-c2nc3ncnc(N)c3[nH]2)cc(Br)c1Br 587005287 RHHXBLMMEYXBCV-UHFFFAOYSA-N 400.078 3.510 0 1 HHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)C(C)C 586933881 ZCTVYVMXXNGZLA-CYBMUJFWSA-N 406.321 3.881 0 1 HHAF Cc1cc2c(cc1O)[C@](c1cnccc1C)(c1cccc(C)c1C)N[C@H](C(=O)O)C2 963553108 RLJPVWIPNNQFRO-DHLKQENFSA-N 402.494 3.912 0 1 HHAF Sc1nnc(SC[C@@]2(c3ccccc3)NCCc3nc4ccccn4c32)s1 962985456 PBEXWOJMGJZJIF-IBGZPJMESA-N 411.581 3.656 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(F)c2C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962766660 OTGZPQZGEOAPAC-PXNSSMCTSA-N 409.379 3.587 0 1 HHAF COc1cnc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(Cl)ccc12 1772650570 RHUBXYGWGVODBD-UHFFFAOYSA-N 420.856 3.557 0 1 HHAF CCNc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)OC)ncc12 1772653058 XHOZKNUFDOFXBZ-QGZVFWFLSA-N 400.458 3.817 0 1 HHAF COc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 169338809 KLDVBUSQZRJHLA-FSSWDIPSSA-N 410.543 3.775 0 1 HHAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCN4CCOCC4)c3)o2)cc1 169350426 POXHUQFBZVFWBF-UHFFFAOYSA-N 406.486 3.763 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OCC(F)F)ncc3C)C2)cc1 169709324 MMJMOUHXTDAXRD-HNAYVOBHSA-N 419.472 3.889 0 1 HHAF Cc1c(F)cccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 205726090 NUASSICUZKIENU-UHFFFAOYSA-N 405.476 3.922 0 1 HHAF O=C(O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)c1cc2ccccc2oc1=O 1857773621 ATUHTQZAWHJLSS-UHFFFAOYSA-N 409.785 3.583 0 1 HHAF O=C(CCc1cc(O)cc(O)c1)NCCc1cc(O)cc(OCc2ccccc2)c1 1650621 LBLVSEHSTPDWOV-UHFFFAOYSA-N 407.466 3.674 0 1 HHAF COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(=O)O)cc3)oc12 13139700 BUOBSGZMXVBHPP-LVWGJNHUSA-N 418.405 3.895 0 1 HHAF CC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCCOC 25429777 LDUHJQAKSSUGRN-CABCVRRESA-N 415.456 3.738 0 1 HHAF biogenic COc1ccc(C2=NN(CCCCn3ccnc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26505145 MUZUXIDORXRNNG-OALUTQOASA-N 410.518 3.733 0 1 HHAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCc3cccs3)c2cc1OC 82119702 ZBSBYKYQRUNCKV-CQSZACIVSA-N 414.531 3.529 0 1 HHAF CN1C[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O 95573426 FVONZJMRTSGTPL-MRXNPFEDSA-N 412.449 3.927 0 1 HHAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100101789 HCMQJWFXKGUDQZ-WUAHKPDGSA-N 416.546 3.986 0 1 HHAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100108047 PUQLLSXBJCUOFR-RMNGQBEXSA-N 416.452 3.801 0 1 HHAF CCOC(=O)c1c2c(c(C)n1Cc1ccccc1)-c1oc(=O)c(C(=O)OC)cc1CC2 101627069 MNICVSZLNXWULZ-UHFFFAOYSA-N 421.449 3.527 0 1 HHAF O=C1C(c2c[nH]c3ccccc23)=C(c2n[nH]c3ncccc23)C(=O)N1c1ccccc1 103233911 YAFNVOPUCQOQTH-UHFFFAOYSA-N 405.417 3.923 0 1 HHAF CN(c1nccc(C(F)(F)F)n1)[C@@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118889617 OQQTYCISRDFCRY-GFCCVEGCSA-N 422.382 3.668 0 1 HHAF Cc1cc([C@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 144333013 NYHFSUBBKRBHFJ-IAISJRAMSA-N 420.366 3.892 0 1 HHAF O=C(/C=C/c1ccc(Br)cc1)N1CCN(Cc2cccc(F)c2)CC1 215283000 HPOXRCFXWZCEDR-RMKNXTFCSA-N 403.295 3.946 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(I)c2)C[C@H]2CC[C@H]1N2C 253637634 BPVNLZVHXOKPAU-YIKOMLBNSA-N 419.690 3.684 0 1 HHAF c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N[C@@H]3C[C@H]4CC[C@H]3C4)c2[nH]1 253669688 TYCRGJHWMDJLCO-RLFYNMQTSA-N 405.506 3.534 0 1 HHAF CC(=O)c1c[nH]c2ccc(-c3ccncc3)nc2c1=N[C@H]1CC[C@H](CN(C)C)CC1 473164997 NKCHIXRHDOVERC-UAPYVXQJSA-N 403.530 3.849 0 1 HHAF Cc1ccc(-n2ccnc2SCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1 586965939 AECLXZWVQBKSME-UHFFFAOYSA-N 402.487 3.633 0 1 HHAF COc1cc(OC)c2[nH]c(C[C@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 586984102 CFTWSEUUAYSVNG-HNNXBMFYSA-N 418.291 3.763 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005927 ZZJQCFQSBYPISM-UHFFFAOYSA-N 400.685 3.834 0 1 HHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4ncc(Br)cc4[nH]3)no2)n1 587117943 HVMFOMRMPVLSHH-UHFFFAOYSA-N 413.157 3.639 0 1 HHAF COC(=O)c1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413008 LOEKYSDBAVSJRX-KDOFPFPSSA-N 403.228 3.733 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602315 HUGNEDVBLGLVHG-GBXCKJPGSA-N 418.401 3.602 0 1 HHAF CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1N1C(=O)c2ccccc2C1=O 587631926 MJFFBADTZROVRO-UHFFFAOYSA-N 400.793 3.867 0 1 HHAF CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808760 OOOUZPSJEKQIOD-MPBGBICISA-N 422.294 3.938 0 1 HHAF Cc1nc2c(C)cccn2c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691322 CCQGWVULHSJMCR-HZPDHXFCSA-N 407.367 3.797 0 1 HHAF CCOC(=O)C[C@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716906 TXOHRKZEOVCQIR-VGSWGCGISA-N 407.551 3.764 0 1 HHAF CC(C)c1nn(C)c2c1[C@H](c1cc(Br)c3c(c1)OCCCO3)NCC2 962913034 QIQLUEIVUUCGDX-SFHVURJKSA-N 406.324 3.702 0 1 HHAF O=C(OCCCc1cccnc1)[C@H]1CCCCN1C(=O)COc1ccc(Cl)cc1 1772635364 LJBANQFKUMEFQR-HXUWFJFHSA-N 416.905 3.671 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3ccsc3)c(OCc3ccccn3)ccc12 1772648394 PIJFKONAUUONFP-UHFFFAOYSA-N 421.478 3.727 0 1 HHAF CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CC=CCC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 1857626619 DDVBPZROPPMBLW-PULUJUNMSA-N 421.559 3.860 0 1 HHAF CCOC(=O)c1c(N2CCN(c3ccccc3F)CC2)c2ccccc2n(CC)c1=O 1857757831 HIZBHOLMOKPORQ-UHFFFAOYSA-N 423.488 3.664 0 1 HHAF CC(C)(C)CC(=O)N1CCN2[C@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C 2356302809 CHBHREUMDBZQRM-GOSISDBHSA-N 405.970 3.523 0 1 HHAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100368788 WIYUZYBFCWCCQJ-PCWWUVHHSA-N 414.505 3.573 0 3 HHAF in-vitro CC(C)(C)NC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 199234681 ZLNZSPXPXHUCDB-QFIPXVFZSA-N 412.493 3.963 0 3 HHAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N32)cc1 6427003 KXDQYSDVTQUGET-ZJSXRUAMSA-N 401.510 3.817 0 1 HHAF biogenic COc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C/C=C\CCCC(=O)O)cc1 13521195 VCOYWENAIWGYDI-ZKMBTSHHSA-N 407.532 3.589 0 1 HHAF COc1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1 13559651 COOBTSQINOJVKH-UHFFFAOYSA-N 423.467 3.763 0 1 HHAF COC[C@@H](C)n1c(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 15940723 SFAMAFXNTDETHQ-UIBIWLFHSA-N 417.575 3.779 0 1 HHAF O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C[C@H]2COc3cc(F)ccc3O2)CC1 27900619 YEDMDLSFCUTXMD-INIZCTEOSA-N 417.868 3.599 0 1 HHAF CN(C)CC(=O)Nc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 29051704 DOEJDSZHAQGKIQ-UHFFFAOYSA-N 412.497 3.607 0 1 HHAF CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 43021984 QQZAPBSSIZZJJM-UHFFFAOYSA-N 403.544 3.963 0 1 HHAF O=C(c1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2)C1CC1 66074288 KXGUCPKHXASNFC-QGZVFWFLSA-N 412.449 3.625 0 1 HHAF CCN(CC)C(=O)COC[C@H](C)[C@H]1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1 66251531 DALYIHBLEWAJIH-LXZJYRNTSA-N 415.582 3.720 0 1 HHAF O=C(Nc1cccc(Nc2nc(-c3ccncc3)c3nc[nH]c3n2)c1)N1CCCC1 84632353 IYGPFMXYYXMUKI-UHFFFAOYSA-N 400.446 3.786 0 1 HHAF CNCc1cccc(Cc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc2O)c1 85569484 DMLMFMZCERSGCE-UHFFFAOYSA-N 419.433 3.593 0 1 HHAF biogenic,in-vitro CCN(CC)C(=O)[C@@H]1c2c(n(CCF)c3ccccc23)-c2ccccc2S1(=O)=O 96909179 WHINAGQFIRJRFK-NRFANRHFSA-N 414.502 3.975 0 1 HHAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1ccc(-c2ccccc2)cc1 96929557 OPPYEMFADCEJBF-JOCHJYFZSA-N 407.514 3.529 0 1 HHAF COC(=O)Cc1cc(OC)cc2oc(CCCCC[C@@H](C)OC(C)=O)cc(=O)c12 103275340 LIDOJFNNQVPBFX-CQSZACIVSA-N 404.459 3.572 0 1 HHAF COc1cc(C)nc2c1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1Cl)CO2 146519123 QTSYESRNYXSECE-LBPRGKRZSA-N 400.784 3.863 0 1 HHAF O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccco1 169690233 GSKBPAKYWOLDOS-AFAVFJNCSA-N 422.264 3.717 0 1 HHAF CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2C2CCOCC2)c1 169707126 TXKNBTQHAOUNHR-KRWDZBQOSA-N 424.545 3.664 0 1 HHAF COc1cncc(-c2cc(Nc3cccc(N4CCC[C@H]4C)n3)c3nccn3n2)c1 207417669 QBQRHYIINOYUCE-OAHLLOKOSA-N 401.474 3.927 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](C1CCCCC1)(N1CCN(C)CC1)C(=O)N2 219346856 KUOHKNQYSFMZER-DEOSSOPVSA-N 408.546 3.934 0 1 HHAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(O)ncnc4[nH]3)c(=O)oc2c1C 586919020 WZWLHAQLZGKWSH-UHFFFAOYSA-N 406.442 3.718 0 1 HHAF COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1OC 587004394 UKFHRUBQVFLGFA-JTQLQIEISA-N 417.259 3.978 0 1 HHAF Fc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1Br 587008154 IJUWQWOMJIGEKY-UHFFFAOYSA-N 411.032 3.937 0 1 HHAF Fc1cnc(Cl)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 587119614 ZKJPUEQOVTVXJL-UHFFFAOYSA-N 412.572 3.971 0 1 HHAF Cc1nn(C)cc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342038 LHBCMXXWSFEPNF-NDVPHPNFSA-N 421.472 3.903 0 1 HHAF Cc1nc(N2CCOCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613536 POJVVCLBQBZFAU-FXAWDEMLSA-N 424.478 3.697 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 587750851 VETJRVCQDFADOD-CBLJQSSYSA-N 421.310 3.558 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2nccn2C)N1 587752044 BKQSVDRFYZGHGD-FKIZINRSSA-N 415.310 3.730 0 1 HHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccc(-c3cccnc3)o2)N1 962629918 GQTYKHWPBVCJGZ-FZKQIMNGSA-N 404.344 3.929 0 1 HHAF CC[C@H](NC(=O)C1=CCCNC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 1772570451 XTZDVLFLNLEDCT-KRWDZBQOSA-N 401.869 3.592 0 1 HHAF Cc1cn(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c(=O)nc1O 1772593359 FTBMPBOKOMZBQV-UHFFFAOYSA-N 405.454 3.527 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)C[C@H]3CC[C@H](CO)[C@@](N)(C2)[C@H]31 2356558960 RVTXERZIRMACGH-JTEONZNGSA-N 413.606 3.517 0 1 HHAF CC[C@@H](C)N(C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O)[C@H](C)CC 201441980 WFCDTQBYLOJDFT-QZTJIDSGSA-N 406.530 3.808 0 3 HHAF CCOC(=O)[C@]1(C)CN(C(=O)OC)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 13745003 YOXYJRZVIGXUHE-HTAPYJJXSA-N 405.491 3.752 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C(=O)[C@H](C)[C@H](C)C2 15270928 BIOIJNOXHMOLAA-GHMZBOCLSA-N 400.427 3.825 0 1 HHAF biogenic CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 95586986 VLVGCRRQSPTZQY-UHFFFAOYSA-N 404.489 3.736 0 1 HHAF COc1ccc(OC)c(-c2cc(NC(C)=O)nc(-c3cc(OC)ccc3OC)n2)c1 95596239 ZKUMHHBMXWILBS-UHFFFAOYSA-N 409.442 3.803 0 1 HHAF CCCN1C(=O)C(C[C@H](C)[C@@H]2NCCc3c2[nH]c2ccccc32)C(=O)N(CCC)C1=O 103017510 ODYWGEOYZWHBHN-YWZLYKJASA-N 424.545 3.608 0 1 HHAF CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H]1CCC[C@@H]2N1CCCC1 204658747 CQXHKVAZLJKFTQ-IRFCIJBXSA-N 410.389 3.695 0 1 HHAF CCOc1cccc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 220718805 SRCMYQVGJCIJMT-DEOSSOPVSA-N 406.482 3.624 0 1 HHAF COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4C)cc23)CC1 221886473 GBXFCKLFXNYEAE-UHFFFAOYSA-N 406.530 3.627 0 1 HHAF C[C@@H]1CCC[C@H]1N(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 223905039 QVRCOYUUCFEVFM-MBOZVWFJSA-N 400.544 3.606 0 1 HHAF C[C@@H]1[C@@H](Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C[C@H]2C[C@@H]1C2(C)C 261133525 LQCWTVZGJKBTDW-HOZXKAFVSA-N 403.903 3.618 0 1 HHAF COc1ccc2c(C)c(CCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(=O)oc2c1C 586917538 CZFQHPYLZJSTAG-UHFFFAOYSA-N 419.481 3.782 0 1 HHAF CCOC(=O)Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587118913 SOOGRDNQIGEBLS-UHFFFAOYSA-N 419.363 3.587 0 1 HHAF CCOC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144944 SFVQQXSPSYGWIB-AWEZNQCLSA-N 406.255 3.884 0 1 HHAF CCOC(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197415 OGDUOWNNWZAJAS-OAHLLOKOSA-N 403.479 3.656 0 1 HHAF COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401090 VJFIWIFFCLJFGF-DEOSSOPVSA-N 403.434 3.978 0 1 HHAF O=C1C[C@@H](c2ccccc2OCCN2CCOCC2)Oc2c1ccc1c2CCCC1 587518506 JUULTXAHNHVGSG-DEOSSOPVSA-N 407.510 3.983 0 1 HHAF Nc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Br 587549464 XAEGGVBRQLUPKP-KSSFIOAISA-N 413.227 3.835 0 1 HHAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576468 JBZOIKIMQRPWHY-WMZHIEFXSA-N 407.422 3.784 0 1 HHAF CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1nc(C)c(Br)c1C 587651024 KVPLFHPKICFIRJ-AWEZNQCLSA-N 423.698 3.917 0 1 HHAF CCOc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587794315 MFRLESBDPYMQEY-OVWNDWIMSA-N 405.267 3.717 0 1 HHAF Cc1c2c(nn1C)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)N[C@H](C(=O)O)C2 962705831 FLCAHCIABAFSAZ-KBXCAEBGSA-N 406.269 3.984 0 1 HHAF COc1ccc(Cn2cc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cn2)cc1 962775155 ZHGAVBCEVSBFRT-VQTJNVASSA-N 415.415 3.675 0 1 HHAF CC(C)c1nn(C)c2c1[C@@H](c1cc(Br)c3c(c1)OCCCO3)NCC2 962913018 QIQLUEIVUUCGDX-GOSISDBHSA-N 406.324 3.702 0 1 HHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3c[nH]nc3C)cc2OCCN(C)C)c1 1772602881 PUGDUBQQBUJNPW-MRXNPFEDSA-N 422.529 3.825 0 1 HHAF O=C(/C=C/c1ccccc1Cl)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857643257 FQHUSEWLRSMGOD-CSKARUKUSA-N 407.901 3.951 0 1 HHAF COCC=Cc1cc(O)c2c(c1)[C@@H](OC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2 2356341725 VFTDNPJBQZEZGN-RBBKRZOGSA-N 400.427 3.807 0 1 HHAF COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2[C@@H]2NCCC[C@@H]2C1 2356362367 FPUGEZQMCZNKFY-MOBZDKELSA-N 423.509 3.877 0 1 HHAF CCCCOc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 29048460 TWUUAAGXROMAKI-UHFFFAOYSA-N 408.454 3.590 0 3 HHAF C[C@H]([C@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 766682 RLXIZUWKIWYBAY-ZHRRBRCNSA-N 400.482 3.880 0 1 HHAF C[C@H](NC(=O)c1cccc(-c2ccc(S(=O)(=O)CC(=O)O)cc2)c1)c1ccccc1 3600326 PIOOGZRVKAYOEW-INIZCTEOSA-N 423.490 3.703 0 1 HHAF CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C 6598774 ALCGUZLBKILMTQ-QIJUGHKUSA-N 411.546 3.747 0 1 HHAF COc1cc(CN2C(=O)CC[C@@H]2CCNCc2ccc(F)cc2)cc(OC)c1OC 11870697 LIVGYOAHZZXZEC-LJQANCHMSA-N 416.493 3.522 0 1 HHAF CCCn1nc(CC)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13760996 QYTPZZTZALRBLH-UHFFFAOYSA-N 416.485 3.992 0 1 HHAF Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccccc1 26819791 RBYJVVKMKBKMBB-UHFFFAOYSA-O 410.541 3.994 0 1 HHAF CCC(C)(C)C(=O)C(=O)N[C@H](C(=O)OCCc1ccccc1C(F)(F)F)C(C)C 34886737 HUSINBYKLUZESW-INIZCTEOSA-N 415.452 3.937 0 1 HHAF O=C(c1ccc2c(c1)c(=O)c(C(=O)O)cn2CCCO)c1ccc(Cl)cc1Cl 40424683 YJAOBOAZEGBKSA-UHFFFAOYSA-N 420.248 3.620 0 1 HHAF Nc1ccccc1C(=O)Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 40896644 BNDHVTSLDFBAQM-UHFFFAOYSA-N 421.464 3.771 0 1 HHAF O=S(=O)(NCCCCN1CC[C@H]2CCCC[C@@H]2C1)c1cnc2ccccc2c1 73169101 WXBBAKXKWONHGS-UYAOXDASSA-N 401.576 3.805 0 1 HHAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 82204721 XOMUBQWSMCVMTQ-UHFFFAOYSA-N 411.333 3.639 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1O)[C@H](O)[C@@H](C)[C@@H](C)C2 95586809 HEKJLNPRSYUANJ-LDLUMPKVSA-N 404.459 3.661 0 1 HHAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccccc3)n2n1 95602912 QASNCQAPJDMCGS-UHFFFAOYSA-N 404.373 3.643 0 1 HHAF Cc1cc(Cc2cccs2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 96271822 ASLHUAYUHCADOW-UHFFFAOYSA-N 418.316 3.605 0 1 HHAF Cc1cc(N)c2cc(NC(=N)NC(=N)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 98083231 INOAQBSEKZZDKR-UHFFFAOYSA-N 413.489 3.547 0 1 HHAF CCCCCCc1ccc2c(CC[C@@](N)(CO)COP(=O)(O)O)cccc2c1 103301197 MIELCBTXDNTJFL-OAQYLSRUSA-N 409.463 3.694 0 1 HHAF O=C(CN1CCCCC1)N1CCN(C2(c3ccccc3)C3CC4CC(C3)CC2C4)CC1 299857968 FWWSZUFJAOWGCT-UHFFFAOYSA-N 421.629 3.968 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 299879018 KCXUQGQAGCNPRK-JFYQVNSESA-N 408.498 3.597 0 1 HHAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 299884641 UELRQBVNZQLPNE-CMBBURJTSA-N 400.906 3.955 0 1 HHAF O=C1CC=C(c2nc3cc(Br)c(F)cc3[nH]2)NN1Cc1ccc(F)cc1 587163980 PPDROGHIRIVCCS-UHFFFAOYSA-N 419.229 3.882 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 587344096 FOCAONFWAXTREN-REWPJTCUSA-N 401.397 3.952 0 1 HHAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587360822 WSUZDCSYLQWSNX-FYYLOGMGSA-N 406.365 3.800 0 1 HHAF C[C@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551788 JPFPLNBRNXXKSF-FZKQIMNGSA-N 406.225 3.711 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600114 LHUJWRVGPBDZGA-YKSBVNFPSA-N 420.417 3.821 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc3c(cc12)OCCO3 587606848 FHCNHNMCJYWNBA-ZJSXRUAMSA-N 402.402 3.967 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2N)N1 587682049 MIAFKONYTYNAIH-NXSYQRQQSA-N 415.104 3.952 0 1 HHAF COc1cccc(OC)c1-c1cccc([C@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857562826 NGKJCNMHSBQUQV-DEOSSOPVSA-N 401.466 3.611 0 1 HHAF CCOC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc4ccccc4[nH]3)sc2c1 1911577704 XSSBPJFXCQJNIO-UHFFFAOYSA-N 408.439 3.532 0 1 HHAF C[C@H](O)C[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 2356668169 GWJFZUCGTPBCOE-QNWHQSFQSA-N 404.459 3.505 0 1 HHAF O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCC[C@@H]1c1cccnc1 19595456 YTCPXHRFXNNDPP-JOCHJYFZSA-N 402.498 3.995 0 1 HHAF CCC[C@@H]1CCC[C@H](/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]1COC(=O)C(C)(C)CC 27563438 CFOLWNBKIXYMFA-HAEGBXRNSA-N 412.567 3.941 0 1 HHAF C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CO)C(=O)O 28878902 UCKLUEUZPYCBFX-INVKCHFXSA-N 402.329 3.546 0 1 HHAF Cc1cccc(S(C)(=O)=O)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1 45261921 VEWHRCPJODSYHU-UHFFFAOYSA-N 409.471 3.611 0 1 HHAF Cc1c(NCc2nnc(Nc3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 73222378 QWKLLTRYMSJXIW-UHFFFAOYSA-N 410.865 3.877 0 1 HHAF COc1ccc(Oc2nc(NCCCCCO)nc(N(C)Cc3ccccc3)n2)cc1 82067224 RNNDQRXLSBVVOA-UHFFFAOYSA-N 423.517 3.883 0 1 HHAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccccc1N 82082209 YRZCCZUNLPCOJW-LJQANCHMSA-N 423.542 3.540 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F 82209299 MWBKWOSJUUMXGU-BPUSCYKRSA-N 416.537 3.975 0 1 HHAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)CC2)nc2ccccc12 101045178 IESRGXWBZDJPLC-IYARVYRRSA-N 407.493 3.988 0 1 HHAF O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CC[C@H]3N1 113222311 QBZDRCQBGMITBW-FOIQADDNSA-N 416.456 3.781 0 1 HHAF CC1(C)Oc2ccc(-c3ccc(OC(F)F)cc3)cc2[C@@]2(COC(N)=N2)C12COC2 149354208 DBMWNPACPWCFOJ-QFIPXVFZSA-N 416.424 3.683 0 1 HHAF 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401.470 3.717 0 1 HHAF Cc1nc(-c2cccc(NC(=O)c3ccc4cc5n(c4n3)CCCNC5=O)c2)cs1 223291314 JSGGVCXEKFWRSW-UHFFFAOYSA-N 417.494 3.854 0 1 HHAF COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)ccc1O 238781008 WNEWYJBAIPHOET-RPQNVMPDSA-N 402.443 3.502 0 1 HHAF N[C@@H](N=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586960369 PBRVGOPQPWNISE-GKVSMKOHSA-N 421.320 3.790 0 1 HHAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)s1 587024050 LWKYCWOSVOVNPL-UHFFFAOYSA-N 401.826 4.284 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587074325 SFYZDGWIANIAGC-UHFFFAOYSA-N 415.906 3.625 0 1 HHAF Cc1c(Br)cnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587148224 GTBFNSAZANUXDU-NSHDSACASA-N 421.245 3.823 0 1 HHAF CCS(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587204856 MORJNPBXRXTQCZ-MRXNPFEDSA-N 409.552 3.838 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)O2 587375508 DGGSKYLWMKUSEI-QGHHPUGFSA-N 420.259 3.898 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(Br)cc1O)CC2=O 587456832 BOTGEZOHAAZHOU-IBGZPJMESA-N 421.243 3.758 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc3c(c1)OCO3)CC2=O 587494247 XUWIYYXODOSGKE-HSZRJFAPSA-N 412.438 3.887 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587582613 QFHJYAJBZKUFMB-QZTYOQMJSA-N 419.481 3.849 0 1 HHAF COC(=O)COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597607 VAPKSERBECIFEJ-QPPBQGQZSA-N 420.417 3.821 0 1 HHAF Cc1cccc2c1OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612510 VKPXJJPRESMGJP-NTKDMRAZSA-N 416.385 3.919 0 1 HHAF CSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614223 RIBRJDXMHJTIDQ-XMSQKQJNSA-N 405.431 3.923 0 1 HHAF OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12 653829385 MFGADMHJBQHFPU-LBPRGKRZSA-N 406.309 3.554 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(CC(=O)C(F)(F)Br)N(C)[C@@H](C)C2 962622250 BJBFTTNJYMIOKF-QFYYESIMSA-N 406.267 3.742 0 1 HHAF CC(C)(C)OC(=O)N1CCC(Cl)=C([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)C1 962922068 OQDRKDXGQXXHOY-DOTOQJQBSA-N 410.873 3.599 0 1 HHAF Cn1ncc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1-c1ccccc1 962967435 NDSTVMUKZIATFC-YJBOKZPZSA-N 403.816 3.707 0 1 HHAF O=C(NCCCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 1772583868 QCDDREXJCIDOSP-UHFFFAOYSA-N 412.497 3.841 0 1 HHAF COc1cc(OC)cc(-c2cn(Cc3cc(-c4ccc(OC)c(OC)c4)no3)nn2)c1 1857769144 IAGFBUSAJUBSPI-UHFFFAOYSA-N 422.441 3.683 0 1 HHAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@@H]1c1ccccc1Cl 1857773101 JJXSZGDVJOKOFY-GOSISDBHSA-N 403.916 3.798 0 1 HHAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356287064 XXFDQBUGIIUMOS-OTWHNJEPSA-N 411.546 3.951 0 1 HHAF Cc1ccc2nc(C[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302764 XXALLUMWOZTYSX-DOTOQJQBSA-N 409.461 3.806 0 1 HHAF CCOc1ccccc1Nc1oc2cc(=O)ccc-2cc1C(=O)NC[C@@H]1CCCO1 5444751 LNVLGPPFMCSNAI-KRWDZBQOSA-N 408.454 3.796 0 3 HHAF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)[C@H]3OC(=O)C(C)C 3782000 RKOUZOCIIHIJRE-SFDCACGMSA-N 406.434 3.933 0 1 HHAF biogenic COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO 4080197 CXDTWLYEAJEXIS-AZUAARDMSA-N 416.905 3.575 0 1 HHAF Cc1cccc(C[C@H](COP(=O)(O)O)NC(=O)c2cc3ccccc3s2)c1 6716412 VJUQXEZAYUVHJF-MRXNPFEDSA-N 405.412 3.660 0 1 HHAF in-vitro C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)c(F)c2Cl)CC1 22941515 FFNAGYPIICWACI-OAHLLOKOSA-N 419.903 3.714 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@]12C 26394208 ZMAIFLOHRXCDQS-MSBZUHIGSA-N 418.622 3.959 0 1 HHAF CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cccc3ncccc23)CC4)CC1 28528111 WBFASLOAEQLKGO-UHFFFAOYSA-N 423.520 3.738 0 1 HHAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC(CO)CC4)ccc32)cc1 28818045 OHIPOORSUHEFRE-SANMLTNESA-N 424.585 3.746 0 1 HHAF COc1ccc(CN2CCC3(CC2)O[C@@H](OC)Cc2c3cnn2-c2ccccc2)cc1 72118562 ZXQHKTGDWINRKN-XMMPIXPASA-N 419.525 3.917 0 1 HHAF COC(=O)c1ccc(-c2nc3c(NCC(C)C)ncnc3n2C[C@@H]2CCCO2)cc1 82177892 MGJCJCWNDCSKFZ-KRWDZBQOSA-N 409.490 3.527 0 1 HHAF COc1c(C)c(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C 85548443 WQOZGNFAVRFSGE-REGMICTRSA-N 416.514 3.626 0 1 HHAF O=C1c2cc(Br)c(Br)n2[C@@H]2C(Cl)(Cl)[C@]23CCCN13 101090875 TXBSLKWTQVBRDL-UWVGGRQHSA-N 414.912 3.730 0 1 HHAF Cc1ccccc1-c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142132346 MQKIWEAHSLYCLV-GDBMZVCRSA-N 408.462 3.989 0 1 HHAF COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 257558019 USYOOQFISINJLZ-PMSBNLIDSA-N 406.519 3.959 0 1 HHAF endogenous,in-man CCOC(=O)c1cc2cc(N3CCN(C(=O)c4c(F)cccc4F)CC3)ccc2o1 299824577 BCSQLYOXOJXFHE-UHFFFAOYSA-N 414.408 3.850 0 1 HHAF CN1C[C@H](c2ccccc2)N[C@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 473233231 BXUSPFXZJNJHSM-DENIHFKCSA-N 404.449 3.667 0 1 HHAF O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cs1)c1cccc(O)c1 587019958 URKSTKKIMABAGX-UHFFFAOYSA-N 419.388 3.982 0 1 HHAF Cc1csc([C@@](O)(Cc2nc3ccc(Br)c(O)c3[nH]2)C(F)(F)F)n1 587094313 PINZDAPAYNJDGF-ZDUSSCGKSA-N 422.226 3.789 0 1 HHAF Fc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c(F)c1F 587188409 ROKHBJINYVFITL-UHFFFAOYSA-N 414.128 3.900 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587225243 OEDYWPPRARJDFB-UHFFFAOYSA-N 408.245 3.763 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4c(O)cccc4C(=O)c4cc(C)cc(O)c41)[C@@H](C2)C3=O 587449251 IRDHNMBGXXYLRH-IVCQMTBJSA-N 414.413 3.650 0 1 HHAF COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517217 JHUFWEVRWPMMDK-NVQXNPDNSA-N 419.521 3.965 0 1 HHAF CN(C)CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567884 AMAMYGZKAPJSMO-URXFXBBRSA-N 405.450 3.907 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 587598059 WBPWBEOXIVGAAF-IQSOXHHHSA-N 423.465 3.979 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc2ccccc2s1)C(O)O 587617116 IQTSQZYRWDEHMY-AUSIDOKSSA-N 420.442 3.775 0 1 HHAF COc1nc(N(C)C)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587856637 YFEOKMHDWQSQLO-ISVAXAHUSA-N 400.317 3.743 0 1 HHAF COc1cc(C(C)=O)c(OC)n1-c1c(Br)cccc1-c1cnn(C)c1 587934119 BCWFKRMLAUELQK-UHFFFAOYSA-N 404.264 3.860 0 1 HHAF COc1ccccc1[C@]1(CNC(C)C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962717877 VUWWLJCVMFASDE-WIYYLYMNSA-N 406.448 3.583 0 1 HHAF C[C@]1(c2c(N)cccc2F)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962927564 WFXVTEJZIVLUPZ-REWPJTCUSA-N 408.429 3.768 0 1 HHAF CCOC(=O)[C@H]1Cc2ncccc2[C@]12c1ccsc1CCN2Cc1cccnc1 963000711 WRERTMCTOJKPCK-XXBNENTESA-N 405.523 3.575 0 1 HHAF CC(=O)Oc1ccc([C@]2(c3ccccc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963025375 JXCKSSUQYWWUBV-QYBDOPJKSA-N 412.489 3.957 0 1 HHAF Cc1c(O)ccc2c1[C@](c1ccccc1)(c1cccc3cc(O)[nH]c13)N[C@H](C(=O)O)C2 963507044 HLKUOTAGIRUHGM-DFBJGRDBSA-N 414.461 3.778 0 1 HHAF CC[C@@H](CO)N=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2c(-c3ccco3)cnn12 2356864292 VTDZZWFVXPKONJ-AWEZNQCLSA-N 417.391 3.675 0 1 HHAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61929236 XFRJIUQYYNHAOX-OAQYLSRUSA-N 412.873 3.730 0 3 HHAF CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccco2)C1=O 95602326 SAMRXXWJPOEWGM-HXOBKFHXSA-N 416.518 3.552 0 3 HHAF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2483231 YSUYSQJWZYOGLH-UHFFFAOYSA-N 422.815 3.679 0 1 HHAF C[C@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(C(=O)OC2(C)CC2)CC1 66073966 LMTLIYJZXZJSGM-CYBMUJFWSA-N 412.452 3.800 0 1 HHAF Cc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1 95582202 KSYDDSWEHNSQGZ-UHFFFAOYSA-N 403.574 3.720 0 1 HHAF in-vitro CNC(=O)c1ccc(-c2ccc3nnc([C@@H](C)c4ccc5ncccc5c4)n3n2)cc1 96284618 OTYPIGVXUNSUDI-HNNXBMFYSA-N 408.465 3.851 0 1 HHAF COc1ccc([C@@H]2C=C(c3ccc(O)c(C)c3)NN2C(=O)c2ccncc2)cc1OC 103200455 CRGUVXAYMFUHNC-FQEVSTJZSA-N 417.465 3.856 0 1 HHAF COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115654749 VITWZUNQPKXICW-DEOSSOPVSA-N 402.425 3.647 0 1 HHAF Fc1ccc([Si]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 170112488 GAOQEODVVZUJNQ-YJJLJQPASA-N 416.616 3.983 0 1 HHAF CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 195196485 OHVAIXHVENNVJI-PLXFJCCSSA-N 419.569 3.544 0 1 HHAF O=C(Nc1ccc(Cl)s1)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 207410575 OLDRCCXAHVUKOQ-UHFFFAOYSA-N 400.838 3.688 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cnc(F)cc4Cl)ncc23)ccn1 261136364 MCXFIWZLTNEZGW-UHFFFAOYSA-N 411.828 3.838 0 1 HHAF CCOC(=O)c1cc2cc(N3CCN(C(=O)c4cccnc4Cl)CC3)ccc2o1 299834414 XTBUSJZSODUSOV-UHFFFAOYSA-N 413.861 3.620 0 1 HHAF Cc1ccccc1[C@@H]1[C@@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299868672 SCYUPMFTYFIJTQ-NFBKMPQASA-N 419.506 3.617 0 1 HHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587112138 IWCUNWOKKAKXNX-KRWDZBQOSA-N 404.436 3.656 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587490608 YYYFBXOGKTUZHT-GOTSBHOMSA-N 417.502 3.849 0 1 HHAF C[C@@]1(c2ccc(N3CCCS3(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531010 HZSAQDHLDGCADB-QHCPKHFHSA-N 411.523 3.986 0 1 HHAF C[C@@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609018 UHERVBUPFFWMHC-REWPJTCUSA-N 424.474 3.814 0 1 HHAF CCN(C(C)=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587615625 XHYIPDPATLHIDQ-XLIONFOSSA-N 410.451 3.924 0 1 HHAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(N2CCOCC2)cc1 587627463 XLPJDHVNRMKZPC-UHFFFAOYSA-N 412.873 3.984 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807227 KDSXGSGSGPYBGW-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccccc32)N1 587838150 ATJPOLNMMNRVQB-DGIBIBHMSA-N 404.235 3.727 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 587840053 HRNYOWUXSWBMAD-DGIBIBHMSA-N 404.235 3.727 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)[C@@H](C(=O)C(F)(F)F)[C@@H]2CC[C@@]1(C)C2(C)C 962921590 HSTKVHCRFGIFCW-UNFFWIPXSA-N 422.491 3.933 0 1 HHAF CC1(C)[C@@H]([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)C[C@H]1C(=O)O 963175032 GSTQGHUUJVTFHO-QBTMAIIZSA-N 419.827 3.920 0 1 HHAF CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1 1772574460 MPTVODVQFOZFHF-RZDIXWSQSA-N 423.554 3.644 0 1 HHAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4cc(C5CC5)ccn4)nc3n2)C1)N1CCCC1 1772628605 PWJXQOVZSFHYFL-GOSISDBHSA-N 416.529 3.736 0 1 HHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](Cc5ccc(=N)[nH]c5)C4)(C[C@@](N)(CCO)[C@H]31)O2 2356297804 YMAGGZDWBUAIJN-MUAWJKAGSA-N 413.606 3.661 0 1 HHAF CC(C)CCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCCC(C)C 13660862 VNZLZGOHHCLHTL-UHFFFAOYSA-N 418.563 3.914 0 3 HHAF CCCCNC(=O)Cn1nnc(-c2ccccc2)c1COc1ccc(C(C)=O)cc1 61898535 XACGVQIROUSCEL-UHFFFAOYSA-N 406.486 3.643 0 3 HHAF COc1ccc(-c2noc(NC[C@H]3CCN(Cc4ccc(C)cc4)C3)n2)cc1OC 6935959 DDVZXLUQERBBAV-GOSISDBHSA-N 408.502 3.996 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C/C=C/I 13761886 CZPZQMXAJDWBFP-KZTBUPNPSA-N 411.283 3.745 0 1 HHAF COC[C@H](C)n1c(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 15940725 SFAMAFXNTDETHQ-NBOOPKSLSA-N 417.575 3.779 0 1 HHAF C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1 28345235 TYRVIKZDGAYQPA-FTRWYGJKSA-N 421.371 3.837 0 1 HHAF COc1ccc(CN2C=CC=C3C2=Nc2ccc(Cl)cc2S(=O)(=O)N3C)cc1 28638098 CULNORWIXUIEDS-UHFFFAOYSA-N 415.902 3.926 0 1 HHAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 45245028 PMJIUNUHZLTRMR-WWEWDKITSA-N 401.507 3.641 0 1 HHAF NCCNC(=O)C(CN)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 66074383 ZOSLLLKFQJEPRK-UHFFFAOYSA-N 411.549 3.798 0 1 HHAF CC(=O)Nc1ccc(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)cc1 82195746 KUXRVTGLVAABOV-UHFFFAOYSA-N 418.563 3.892 0 1 HHAF O=c1c(NCc2ccoc2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 82224437 RKZNFLGYTYTQQX-FQEVSTJZSA-N 420.513 3.810 0 1 HHAF Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(NCc4ccccc4)n3)C2)cc1 84634275 MBJYQMLEOHTTNU-QFIPXVFZSA-N 415.541 3.930 0 1 HHAF O=C(c1ccc(F)c(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1 95565346 BDZJDRIXKCMUGC-UHFFFAOYSA-N 410.211 3.581 0 1 HHAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95866721 SNBXOFNUQREFDT-DHIUTWEWSA-N 408.517 3.557 0 1 HHAF CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2C2CCCCC2)CC1 96938981 RXKLLHAFHLIVTF-UHFFFAOYSA-N 417.548 3.535 0 1 HHAF Cc1nc([C@](C)(CC2CC2)NC(=O)c2cc(OCC(F)F)c(C3CC3)cn2)no1 146219805 YIATZXPSLJFHJG-FQEVSTJZSA-N 406.433 3.740 0 1 HHAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1 149885036 SFFQUAOVCNLRED-IBGZPJMESA-N 400.841 3.578 0 1 HHAF O=C(NCCCCC1CCN(C(=O)c2ccccc2)CC1)N1Cc2ccncc2C1 166031649 HEPFIKVGOLTZAV-UHFFFAOYSA-N 406.530 3.830 0 1 HHAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(N2CCOCC2)c1 167868386 ZCFKLJXKYWPBJL-FQEVSTJZSA-N 410.514 3.794 0 1 HHAF CC(C)c1ccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)c(F)c1 221675495 UQVMWOQOFJPWHK-XWCIJXRUSA-N 406.433 3.757 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)o1 586923496 NRBRHVISLOXNMU-UHFFFAOYSA-N 419.466 3.697 0 1 HHAF Cc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cc1Cl 586945313 GAZVPWQRAGXCJO-CQSZACIVSA-N 419.934 3.957 0 1 HHAF N[C@@H](Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O 586988105 ZDXRWVKVBDRSOG-SFHVURJKSA-N 410.429 3.773 0 1 HHAF O=C(NCc1nc2ccc(I)cc2[nH]1)c1cc2c(s1)CCC2 587034358 HWOSSEVHULWPFO-UHFFFAOYSA-N 423.279 3.648 0 1 HHAF NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587068059 XKOGEPDFIYRPSE-UHFFFAOYSA-N 413.886 3.690 0 1 HHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587070621 TUGGOTBDGQAMLG-LLVKDONJSA-N 417.840 3.795 0 1 HHAF C[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc(Cl)cn1 587080747 YHGJJABNKSBGCY-RXMQYKEDSA-N 405.481 3.942 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C[C@H]1CCCO1 587197916 XOFLTXBTCBYKCB-GFCCVEGCSA-N 400.401 3.893 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3ccnc(Br)c3[nH]2)CCC(=O)CC1 587235456 NIZMCZIXUIMNCW-UHFFFAOYSA-N 409.284 3.584 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239128 IBXZDENXGLZXBQ-WLCUFGOBSA-N 407.902 3.561 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(C)CC3)n(C)c3ccccc13)O2 587401156 SVUFBVGLIYRNAR-OAQYLSRUSA-N 404.514 3.527 0 1 HHAF COC(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570413 WSDRZENJTFBCDF-NFBKMPQASA-N 408.381 3.952 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(C(F)(F)F)N1 587705483 MTXIHSCTSULMIV-PSLIRLAXSA-N 404.205 3.913 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC 587771962 UTUGUHRSRXWHIG-XXFAHNHDSA-N 411.271 3.633 0 1 HHAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O 587789856 DBYYGXNHQRHGMU-XTZNXHDOSA-N 424.266 3.684 0 1 HHAF COc1cccc(C[C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804757 BRGDHSDFFPAUFC-WYRIXSBYSA-N 408.267 3.654 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](C[C@@H]3CCCN3)(c3cccs3)N12 962658568 DIOKLYFDJGTEGI-NTUVXCKYSA-N 421.566 3.781 0 1 HHAF Nc1cccc([C@@]2(CCC(=O)O)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962710211 PMMXJKCFSZFDAR-VGSWGCGISA-N 400.519 3.880 0 1 HHAF COc1cc(/C(Br)=C2\SC(=O)N(C)C2=O)c(Br)cc1O 1857590983 QAQZITHNFLHSMT-MDZDMXLPSA-N 423.082 3.552 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(Cl)[nH]1 1857591224 FEZCPYJVVDQSSH-MRXNPFEDSA-N 417.897 3.681 0 1 HHAF CC(C)S(=O)(=O)c1ccccc1N=c1[nH]c(Nc2ccccc2O)ncc1Cl 1857594350 DYYPDCPNLRCSCY-UHFFFAOYSA-N 418.906 3.927 0 1 HHAF COc1ccc2c(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)cc(=O)oc2c1 1857611694 RAESIAABSMVWHT-UHFFFAOYSA-N 419.466 3.610 0 1 HHAF CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@H]2C[C@@]35CCCN3C[C@@]2(C4)NC5=O)O1 2356327832 JMBZQJZJAXXGDP-WGURPXDASA-N 417.553 3.909 0 1 HHAF C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356643292 NRLDULXFOAMEBL-DVYDBKPWSA-N 418.666 3.646 0 1 HHAF Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 5067008 DZKJQGVLLCPVCL-IBGZPJMESA-N 409.511 3.643 0 3 HHAF CCOC(=O)[C@H](C)N1[C@H](C)[C@H](c2ccccc2)Oc2ccc(Cl)cc2S1(=O)=O 61931073 TWTACZFWMABPFQ-BIENJYKASA-N 423.918 3.805 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 4050821 NFHJAHDDZGCTCX-ZLTNCQPASA-N 410.514 3.700 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4296095 QNAXABNTRAQMPU-QRKMNUTDSA-N 416.880 3.991 0 1 HHAF CCOc1ccc2nc(N3CCC[C@H](NCCc4ccccn4)CC3)nc(C)c2c1 11790961 JVWSMWWGWLWEQX-FQEVSTJZSA-N 405.546 3.923 0 1 HHAF O=C(O)C[C@@](O)(CSCCCCCNc1ccc(Cl)cc1Cl)C(=O)O 13758194 BCWRTWBLBWGDPZ-MRXNPFEDSA-N 410.319 3.599 0 1 HHAF COc1cc2c(cc1OC)-c1c(oc3c4c(cc(O)c3c1=O)OC(C)(C)C=C4)[C@@H](O)O2 14768752 NVIZHSSHHRHDLE-QFIPXVFZSA-N 424.405 3.750 0 1 HHAF biogenic,in-vitro O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25411776 GYXLYKSCFVRNHX-UTKZUKDTSA-N 422.488 3.718 0 1 HHAF biogenic CCCCCCOc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl 43119846 IZWMNGSRYKKLIS-UHFFFAOYSA-N 401.334 3.957 0 1 HHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(F)CC3)ns2)n1 66112265 COBLQYUYOHSZOW-UHFFFAOYSA-N 412.498 3.562 0 1 HHAF CCCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081245 GCEGHQGCSNNTJF-MRXNPFEDSA-N 419.547 3.578 0 1 HHAF Fc1ccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)cc1 82187227 NDTBUXAUXMCIAF-LJQANCHMSA-N 418.476 3.861 0 1 HHAF O=C(O)Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1 95554018 KDYJKFBLCLYERB-AWEZNQCLSA-N 410.396 3.684 0 1 HHAF O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 95893469 NSGZVCKDNQQOKI-SONWIMMPSA-N 418.537 3.512 0 1 HHAF CCOc1cc(CC(=O)O[C@H](C)C(F)(F)F)cc(F)c1OCC(=O)N(CC)CC 299837966 PTLVVYGWQRUMBS-GFCCVEGCSA-N 423.403 3.508 0 1 HHAF N[C@H](Cc1ccc(I)cc1)c1nc2cnc3ccccc3c2[nH]1 587185414 JMYKYNZGQOAFHS-CQSZACIVSA-N 414.250 3.958 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238850 GTDIIOMGHAUZBV-XNVILDLWSA-N 415.490 3.816 0 1 HHAF CN(C)/C=C\[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342851 QCYNYIZNFWBKDG-AOYWXPFXSA-N 407.445 3.595 0 1 HHAF CC(=O)Nc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614344 SBKYTODHORLEQO-IIBYNOLFSA-N 410.451 3.993 0 1 HHAF C=C1NC(C)=Cn2nc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc21 587796087 PAGXJIMFXUHYJP-OVWNDWIMSA-N 403.299 3.975 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NS(C)(=O)=O)N1 587840155 JUSFTXREWOZLSS-BTDLBPIBSA-N 413.312 3.583 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2c[nH]nc2N)N1 587850666 DVPPKWGBSFVAIF-XYZCENFISA-N 407.312 3.781 0 1 HHAF CCCn1c(O)nc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1=O 587866070 DFBUGOJRYOIHOP-UHFFFAOYSA-N 408.380 3.629 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963707 QTULCUDFUIGLDD-KGLIPLIRSA-N 413.499 3.530 0 1 HHAF CCCc1cnc(SCC(=O)Nc2nc3ccc(OCC)cc3s2)nc1O 653693947 YBOVLMJCEFHMLA-UHFFFAOYSA-N 404.517 3.874 0 1 HHAF CC(C)(C)OC(=O)CN1CCC2(CC1)c1cccc(F)c1CCN2[C@H]1CCSC1 962721743 WJZCRPGBNBUBET-KRWDZBQOSA-N 420.594 3.822 0 1 HHAF COc1ccc2nc(C[C@@H]3CN(Cc4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302734 WFADAJGRKZLDFK-IAGOWNOFSA-N 411.477 3.866 0 1 HHAF CC(C)=CCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 3819887 BWSUPJKAADMZNY-UHFFFAOYSA-N 407.580 3.988 0 1 HHAF COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC 13756794 NZKILVAZKDWRAR-UHFFFAOYSA-N 414.454 3.534 0 1 HHAF O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)cc2)cc1)C1CC1 13859905 LBXAHJZEHKLJSO-VXKWHMMOSA-N 422.500 3.786 0 1 HHAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 34576425 IIVDSKOVPRNBND-AYOQOUSVSA-N 416.547 3.924 0 1 HHAF in-vitro CCN(CC)C(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 58584042 SFJZQFDOUQNSBE-UHFFFAOYSA-N 406.317 3.952 0 1 HHAF O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc21 84596762 OUSDTOJBLXESET-UHFFFAOYSA-N 402.284 3.809 0 1 HHAF CCOC(=O)[C@@]1(C(=O)Nc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95598408 RCPFIUFNKROQIP-ZHRRBRCNSA-N 417.433 3.527 0 1 HHAF COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@H](CCCCC[C@@H](C)OC(C)=O)O2 103275338 MQTUQRYXMJDNHJ-PBHICJAKSA-N 406.475 3.647 0 1 HHAF Cc1ccc(-c2cc3c(NC4[C@@H]5CC6C[C@@H]4CC(O)(C6)C5)c(C(N)=O)cnn3c2)cc1 146043943 PHYQXCCNHUZFGG-WZNOEYIFSA-N 416.525 3.760 0 1 HHAF Cc1nc([C@@](C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(Cl)cn2)no1 149243532 KHCHRKGVMRTQOF-MRXNPFEDSA-N 418.803 3.813 0 1 HHAF O=C(NCCc1cccc(Cl)c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168209830 KDMHWDHHBBZSGK-UHFFFAOYSA-N 421.928 3.865 0 1 HHAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1F 224733176 IWUANSFXUKSMRZ-UHFFFAOYSA-N 418.469 3.748 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=C[C@H]4CCCC[C@H]43)CC1)[C@H](O)C2 261189536 YOOZACONZOWRFD-ZJQTUCFNSA-N 407.620 3.962 0 1 HHAF Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 473170662 GMNHHZMFPMILPF-MBOZVWFJSA-N 419.485 3.524 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)o1 586923432 LISRKIYOEIPIQN-UHFFFAOYSA-N 420.853 3.942 0 1 HHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 586939220 ZGHYRTZESFEJNI-SNVBAGLBSA-N 424.320 3.775 0 1 HHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587190748 NBPSRYHUTPESED-SFHVURJKSA-N 415.515 3.923 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(I)c1)[C@@H](C2)C3=O 587428734 QLEBRPFAHDKITQ-GTNSWQLSSA-N 410.182 3.928 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(S(=O)(=O)O)cc4)o1)[C@@H](C2)C3=O 587449005 OBNUXPJQSYABNX-YCRPNKLZSA-N 412.419 3.691 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471879 WEROPBZGDJEHNK-KBPBESRZSA-N 405.491 3.941 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587779327 QWVOMKWXWPNZRJ-UGZDLDLSSA-N 421.266 3.501 0 1 HHAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC 587811355 ZJNKGZYHABAVCE-HUTHGQBESA-N 424.266 3.927 0 1 HHAF CC(C)c1cccc2c1NC(=O)[C@]21N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962704088 UFAQTZANJYKYKR-UZLBHIALSA-N 422.378 3.763 0 1 HHAF Cc1cccc(CNC(=O)C[C@@]2(C)c3ccsc3CCN2Cc2cccnc2)n1 962993522 CCLYFMYDMLDFLU-QHCPKHFHSA-N 406.555 3.827 0 1 HHAF Fc1ccc([C@]2(CCCN3CCNCC3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963106897 WGOREHUGBPCEMQ-ILBGXUMGSA-N 411.540 3.914 0 1 HHAF COc1cccc([C@]2(c3cccc(OC(C)=O)c3)NCCc3c(C(=O)O)cccc32)c1 963122870 NKIMLFPEOVXJDC-RUZDIDTESA-N 417.461 3.756 0 1 HHAF COc1cc([C@H]2NCCc3c(C(=O)O)cccc32)ccc1OCC(=O)c1ccccc1 963136580 ZOYXINDFROTNDA-XMMPIXPASA-N 417.461 3.890 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3ccc(OC(F)(F)F)cc32)N1 963220757 FKLQFNGBVJKWHV-TZIWHRDSSA-N 414.383 3.922 0 1 HHAF COc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231401 MIJXRKZCXGCUSE-DHLKQENFSA-N 413.477 3.904 0 1 HHAF CCOC(=O)c1c(C)oc2cc(OCc3ccccc3)c(OS(=O)(=O)O)cc12 1857537124 SIVBCSNSRINOCM-UHFFFAOYSA-N 406.412 3.679 0 1 HHAF N#CNc1ccc(CNc2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1 1857577411 IPBAWSDNKDTYNA-UHFFFAOYSA-N 401.474 3.562 0 1 HHAF N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]nc(N=c4cc[nH]c5ccccc45)c3c2)C1 1857635095 WMTMGJGKUYYPKR-HUUCEWRRSA-N 400.486 3.733 0 1 HHAF CCOc1ccc2nc(N3CCC(C(=O)Nc4nnc(CC)s4)CC3)sc2c1 5086148 DLEWAKWLNUOJBF-UHFFFAOYSA-N 417.560 3.964 0 3 HHAF CCc1nc2ccc(C(=O)N(C)Cc3ccccc3)cn2c1N(CC)CCN(C)C 61926561 QWXVCFNQILEVKW-UHFFFAOYSA-N 407.562 3.557 0 3 HHAF O=C1N[C@H](Cc2ccc(O)cc2)c2nc3ccc(Cl)cc3c(=O)n2-c2ccccc21 61949277 QVUNBPDQRFLUSV-LJQANCHMSA-N 417.852 3.772 0 3 HHAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 199213982 VMBCDTKDQALPTF-HXUWFJFHSA-N 415.419 3.778 0 3 HHAF COc1cc(NC(=O)C[C@@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)cc(OC)c1 205222580 KBACGYWXBRRWJW-FQEVSTJZSA-N 403.866 3.726 0 3 HHAF CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 253961028 JLFORSRSVLFNNO-HSQYWUDLSA-N 416.550 3.985 0 3 HHAF COCC=Cc1cc(O)c2c(c1)[C@@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 2356341723 VFTDNPJBQZEZGN-IFMALSPDSA-N 400.427 3.807 0 1 HHAF CC(=CCc1c(O)cc2c(c1O)COC2=O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356451858 UGAPAMJJWSEADB-FQEVSTJZSA-N 404.503 3.896 0 1 HHAF Cc1ccc(C)c(NC(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)c1 103902604 FTUGQDPQWHVNIT-QLYXXIJNSA-N 423.557 3.581 0 1 HHAF Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(ccn3C)c2)nc2c1c(C1CC1)nn2C 117513579 QBNVNLZYTSCLAT-HNNXBMFYSA-N 417.513 3.902 0 1 HHAF COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)c2c(cc(C)oc2=O)O3)cc1 66157097 GTDDZWFPUABHTD-ISKFKSNPSA-N 422.433 3.882 0 1 HHAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@H](OC(C)=O)Cc3c(cc4occc4c3C)[C@@]12C 2356635947 PNIWOPXSKRPGQY-CJTFWIGWSA-N 414.498 3.970 0 1 HHAF CC1=C[C@@H]2C=CC[C@H](C)[C@H](O)C=CCC(=O)O[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@@H]1C 2356823132 GJGYPEJFZWTPPJ-WYWPFAQYSA-N 401.547 3.545 0 1 HHAF CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccccc2)n2nccc2N1 34342287 PLLXTGQGCTVIOJ-QHCPKHFHSA-N 417.488 3.660 0 1 HHAF CO[C@@H]1C[C@]2(O)C(=O)C=C3O[C@]4(C)CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@@H]4C=C3[C@@H]2O1 14514684 CMULOZRGTMXKCI-KJVIVNLFSA-N 402.531 3.903 0 1 HHAF biogenic O=C1N[C@H](c2c[nH]c3ccccc23)CN[C@H]1c1c[nH]c2cc(Br)ccc12 15266905 PZUOTISMYYMQAB-OALUTQOASA-N 409.287 3.914 0 1 HHAF biogenic O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)o1 73312384 WCOASVPHFRKOOC-SLDRDFCHSA-N 401.422 3.616 0 1 HHAF CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(O)cc2)cs1 82195040 HIBPBNKSWAXFSF-CVAIRZPRSA-N 417.575 3.788 0 1 HHAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCC(F)(F)CC4)ncn3)c2c1 225561395 HNXHVWULDKJASS-ZDUSSCGKSA-N 403.433 3.669 0 1 HHAF CCCCOCCOC(=O)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(C)C 82070264 JRSLKLLVQIMBOE-GOSISDBHSA-N 404.532 3.924 0 1 HHAF N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 88260869 KTSDIWWYGMIOMZ-UGKGYDQZSA-N 420.525 3.537 0 1 HHAF Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)cc1 142460331 VCAOZNYTIATHLZ-UHFFFAOYSA-N 407.470 3.841 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H]1CO 95877786 FGOUXSFKWLFYFE-OYDLWJJNSA-N 417.484 3.902 0 1 HHAF CC[C@H]1C[C@H]2C[C@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]2CC(C)=O)[C@H]13 238742670 BNWCAXPQWZXTPP-MKNCQVBRSA-N 424.541 3.612 0 1 HHAF COC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1 96168835 PLRDEWCZBWZINK-UHFFFAOYSA-N 412.449 3.746 0 1 HHAF Cc1cccc(C)c1Oc1ccc2c(C#N)nc(C(=O)NCCCC(=O)O)c(O)c2c1 147401720 KRDJPAJCSJQTCY-UHFFFAOYSA-N 419.437 3.816 0 1 HHAF COc1ccc(SCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 96928017 DUYWDESTXRBKCT-UHFFFAOYSA-N 406.507 3.826 0 1 HHAF CCOC(=O)[C@@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587767996 CDFHPDBYFKFUMR-CWTRNNRKSA-N 407.283 3.633 0 1 HHAF O=C(O)C[C@@H]1CCc2occc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614562 CNWIUROEEFWRIA-MXMTWJBOSA-N 406.390 3.879 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443242 MIFQAMBGCKLMEB-CLOONOSVSA-N 416.429 3.624 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N3CCC(O)CC3)ccc1N)CC2=O 587475130 MHYHHNDSGQYIJB-XMMPIXPASA-N 410.514 3.769 0 1 HHAF CCOC(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117406 CBELOQDIXSUUAP-UHFFFAOYSA-N 405.336 3.658 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCc4cc(I)ccc41)[C@@H](C2)C3=O 587428643 PJYJWZAZVGACRX-KXBFYZLASA-N 418.230 3.889 0 1 HHAF Cc1nn(C2CCNCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1 584905497 JVFLXTNKVBOVBS-UHFFFAOYSA-N 408.897 3.618 0 1 HHAF in-vitro CC(C)(C)OC(=O)N1[C@@H](c2cnc(Cl)s2)c2scnc2C[C@@H]1C(=O)O 963151669 XXGJYQQLVAMKBZ-SCZZXKLOSA-N 401.897 3.589 0 1 HHAF COc1cccc2cc3c(nc12)[C@](C)(CC(=O)Nc1ccc(NC(C)=O)cc1)NCC3 963062938 YGKVWVSYUUMBNC-DEOSSOPVSA-N 418.497 3.592 0 1 HHAF Cc1cccc2ncc([C@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)n12 962923112 MGYBCBCUNSFAID-REWPJTCUSA-N 415.449 3.829 0 1 HHAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(F)c(F)c1 1772649094 GEARHVGBHFRSBG-IOMROCGXSA-N 404.432 3.599 0 1 HHAF Cc1cn(C2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)c(=O)nc1O 1772623521 DWXATGWRZCGOPT-UHFFFAOYSA-N 405.454 3.527 0 1 HHAF O=C(c1[nH]nc2c1CCCC2)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1 11911638 XXUOVIYINQAHQD-HSZRJFAPSA-N 409.530 3.937 0 1 HHAF O=C(/C=C/c1c[nH]cn1)N1CCC(n2c(CC3CCCC3)nc3cccnc32)CC1 12242019 WJAQFKPXMUYXMO-BQYQJAHWSA-N 404.518 3.764 0 1 HHAF Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2nc(CC(=O)O)cs2)cc1 13474617 DPCXVOPNKMKKHC-UHFFFAOYSA-N 424.482 3.904 0 1 HHAF NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)nc2c1 13612155 XCCULJHTWCXXQM-UHFFFAOYSA-N 411.870 3.815 0 1 HHAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O2)cc1 13704104 PLVHSDRBIYXRLL-HDOHGRBBSA-N 404.503 3.775 0 1 HHAF CNC(=O)COc1cccc([C@@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 205833193 LEVDDNIXNLXBJO-OAHLLOKOSA-N 406.486 3.759 0 1 HHAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 772884 WBAJSWKTWYSGPD-MJGOQNOKSA-N 404.869 3.706 0 1 HHAF COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4OC)OCO5)OC[C@H]23)cc1OC 14641277 VRYSIJRIXGPIBZ-IQGAEYHTSA-N 400.427 3.516 0 1 HHAF C=CC(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 28244808 JZOKWBGRHPGLEP-UHFFFAOYSA-N 403.526 3.779 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(N2CCn3c(Cc4ccccc4)cnc3C2)nc1 28824520 JEQVJDUQDHIWNV-UHFFFAOYSA-N 424.508 3.724 0 1 HHAF COc1cc(-c2nnc([S@@](=O)Cc3cccc(F)c3)s2)cc(OC)c1OC 29123326 YIOKYDMZVJEHQV-HHHXNRCGSA-N 408.476 3.678 0 1 HHAF C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 44361345 ZAZQQOOBLLITLN-PYMXQACOSA-N 418.618 3.833 0 1 HHAF c1cnc(NCCc2ccncc2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1 66103563 DMPQQLLVJQCBDH-UHFFFAOYSA-N 402.414 3.654 0 1 HHAF OCc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cc1 103241138 HKYOVUOYHSMXQS-UHFFFAOYSA-N 404.489 3.807 0 1 HHAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 104551708 RJQYILQJIQRYRJ-GFLQDLJJSA-N 416.562 3.866 0 1 HHAF COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2C)CC3)cn1 141186790 OVQKTFJGYACQEE-UHFFFAOYSA-N 421.530 3.599 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(C)c2)c1 169707020 MYJVZWCQSLHNHT-IBGZPJMESA-N 402.498 3.875 0 1 HHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(C#N)cc2)c1F 220682647 CMZCLMBPMLFJJU-YVEFUNNKSA-N 401.869 3.886 0 1 HHAF CC1=CCC[C@H]2[C@@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@@H](CO)[C@]2(C)CC/C(C)=C/CO 238739523 KFWNRUNSSBZDEP-MUFKJQONSA-N 422.562 3.863 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 299883318 RCVMNZPMAHFCQI-CUHUQNRHSA-N 401.510 3.998 0 1 HHAF COC(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586958528 FQSYWRZYUVOONV-RUZDIDTESA-N 421.316 3.852 0 1 HHAF COC(=O)c1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c1 586984377 KKJGSHFMXGZEOI-KRWDZBQOSA-N 416.275 3.532 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1nn(C(=O)OC(C)(C)C)c4ncccc14)[C@@H](C2)C3=O 587432552 QOHHOKUGEUPPRR-LIRRHRJNSA-N 407.426 3.712 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1 587599025 YKTSHMCOPPKTHL-URXFXBBRSA-N 403.434 3.932 0 1 HHAF CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587762191 XLGUAQDYQYLNGE-PGICJIBASA-N 423.326 3.633 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 587789206 BJIKIVFYUZWLSU-WFRWYCSKSA-N 419.294 3.568 0 1 HHAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC 587806236 JGSGFKBVSQWFQV-XLFHBGCDSA-N 424.266 3.927 0 1 HHAF COc1cc2c(cc1OC)[C@@](C(=O)OC(C)(C)C)(C1=COCCC1)N(C)[C@H](C)C2 962617010 BPCWRTIRDKUGLZ-IQMFZBJNSA-N 403.519 3.812 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H](C2CC2)c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O 963074466 OXYWZLIYCZJCPJ-ZWOKBUDYSA-N 400.475 3.616 0 1 HHAF CCCN(CC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)CO 1857565961 VOVVOYNEQIHWDR-TUACAJSNSA-N 414.594 3.568 0 1 HHAF COc1ccc(-c2nc(O)c3ccccc3n2)cc1OCC(=O)NC1CCCCC1 1857605076 VAWMVQAKEDXTNH-UHFFFAOYSA-N 407.470 3.839 0 1 HHAF CO[C@]1(C(C)C)CC[C@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 2356745094 CJTKUZUOJCPZPE-RJKARWBRSA-N 403.563 3.935 0 1 HHAF COc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NCc4ccco4)C3)c(C)o2)cc1 5044075 QTXNNUAHYFTVQP-GOSISDBHSA-N 409.486 3.780 0 1 HHAF Nc1c(C(=O)c2cccc(OCCN3CCCCC3)c2)cnn1-c1ccc(F)cc1 13683048 DKDBPXXMGPNROW-UHFFFAOYSA-N 408.477 3.689 0 1 HHAF COCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F 13759859 NPVRMVYEJWRPDK-UHFFFAOYSA-N 416.291 3.798 0 1 HHAF C[C@@]1(OC(=O)c2ccc(Cl)nc2)C(=O)Cc2cc(-c3ccsc3)ncc2C1=O 13817876 PZVJEMCRPJOOPD-HXUWFJFHSA-N 412.854 3.782 0 1 HHAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCO 13863462 COSLZNSLGCSJBY-VQTJNVASSA-N 412.530 3.918 0 1 HHAF C[C@H](O)[C@H](CO)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28526002 LORFCRZQKHJHLR-HJPURHCSSA-N 409.505 3.804 0 1 HHAF Cc1cnc(C(=O)Nc2ccc3c(c2)CCCN(Cc2c[nH]c4cnccc24)C3)cn1 45192164 PJGWQPNQNVMPOA-UHFFFAOYSA-N 412.497 3.862 0 1 HHAF CC(C)Nc1nc(NCCc2c[nH]cn2)nc(NCc2cccc3ccccc23)n1 45324337 CAYNTCQZQABKRI-UHFFFAOYSA-N 402.506 3.835 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCc3ccccc3OC[C@@H]2Cc2ccc(O)cc2)cc1 45335632 QJIHWJLULBXCFS-NRFANRHFSA-N 423.534 3.938 0 1 HHAF Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccnc4cc(Cl)ccc34)C2)cc1 45337036 LTDJIUUUFJMVPE-INIZCTEOSA-N 401.919 3.754 0 1 HHAF Cn1ccc2cc(-c3cc4c(N[C@H]5CCCNC5)ncc(C(N)=O)c4s3)ccc21 64560707 CSOUHKGJOCAQOJ-HNNXBMFYSA-N 405.527 3.718 0 1 HHAF CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NC[C@@H]1CCCO1 82193267 QUQZWDIKWGFIHO-HOTGVXAUSA-N 409.552 3.778 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C)C1 95864625 LSSVJSWFNBODOJ-FQEVSTJZSA-N 411.933 3.562 0 1 HHAF O=C(Cc1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878793 GZOHHZSSNRGAHO-JHMXWDHMSA-N 417.484 3.806 0 1 HHAF O=C(c1ccccc1F)c1cc(F)ccc1/C=C/OCCN1CCC[C@@H](C(=O)O)C1 96923622 YLFLEEKXJUNEEA-XLNAKTSKSA-N 415.436 3.980 0 1 HHAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169358736 BARMHYIDIPSZOD-JNOULUJGSA-N 423.553 3.786 0 1 HHAF O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3cccc(Cl)c3)c2N1 299852842 YETPNEJHWRYOOZ-HXUWFJFHSA-N 413.264 3.819 0 1 HHAF O=S(=O)(Cc1nc2ccc(F)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950885 LFMVKMLMWOFRET-UHFFFAOYSA-N 406.458 3.773 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587124549 BIVXALQPJWZNHE-UHFFFAOYSA-N 419.469 3.534 0 1 HHAF COC(=O)[C@H]1Cc2c(nc3cccc4c3c2CC4)CN1C(=O)OCc1ccccc1 587213294 VEJKAMOIIPAHFM-OAQYLSRUSA-N 402.450 3.570 0 1 HHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587232796 CGQIBTGHSSIIMU-IRXDYDNUSA-N 400.523 3.556 0 1 HHAF COc1cc([C@]2([C@H](C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587355392 XNPNJVVOEGFEFS-WLXJBKMTSA-N 424.424 3.881 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(OC)c(F)c1)CC2=O 587465855 HYTJTDFZAMWNKW-JOCHJYFZSA-N 402.418 3.916 0 1 HHAF COc1ccccc1OCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867384 CLAXEUFXYXATEW-UHFFFAOYSA-N 407.348 3.700 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cn3ccnc3)cc2)N1 962974976 XDPIOXMGPAXFBB-APWZRJJASA-N 403.816 3.551 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CNC2CCCC2)(c2ccccc2)N1 962979496 SMILYDGVBFABLJ-GCJKJVERSA-N 420.887 3.993 0 1 HHAF COc1cc2c(cc1OC)[C@H](c1sccc1C=O)N(C(=O)c1ccccc1N)CC2 963138508 GQYDPKONHOFPHD-OAQYLSRUSA-N 422.506 3.948 0 1 HHAF C=CN1CC[C@@H]([C@]2(c3cc(OC)cc(OC)c3)NCCc3cc(Cl)ccc32)C1=O 963391658 WFEAPSWMIOERCT-FYYLOGMGSA-N 412.917 3.739 0 1 HHAF Cc1c(O)ccc2c1[C@](Cc1cccnc1)(c1ccc(Cl)cc1)N[C@H](C(=O)O)C2 963492920 UBGNASGEIBMMOL-CVDCTZTESA-N 408.885 3.834 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCC[C@@H]3CCCCN3)c2cn1)c1ccccc1 1772607302 XUFLMNWCKCZLIO-WBVHZDCISA-N 408.506 3.752 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)(O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356791351 IOGWPIQCBSCWQJ-BEHLGQDMSA-N 408.579 3.798 0 1 HHAF Cc1cccc(-n2c(SCC(=O)Nc3nonc3C)nnc2-c2ccoc2C)c1 4083270 FCJIWEWHSNXVAJ-UHFFFAOYSA-N 410.459 3.566 0 3 HHAF Cc1cc2c(cc1C)-n1nnnc1[C@@H](N(Cc1ccccc1)Cc1ccccc1)C(=O)N2 95601264 OPGBBEUYMZKZTN-HSZRJFAPSA-N 424.508 3.975 0 3 HHAF Cn1c(=O)cc(OCCCC(=O)Nc2cc(C(F)(F)F)ccn2)c2ccccc21 198357288 CYAUHOSEQIDURR-UHFFFAOYSA-N 405.376 3.750 0 3 HHAF CC1(C)OC[C@@H](CO[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)O1 3599109 ZQDXWYQEGBMDCN-FOIQADDNSA-N 400.862 3.624 0 1 HHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)c2cccc(Cl)c2)[C@H]1O 5963877 YRPMCYJIXPHPFF-RBUKOAKNSA-N 400.814 3.876 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCCCc2ccc(F)cc2)cc1 13441773 DSLWSJZWVSGFQM-OAQYLSRUSA-N 419.518 3.853 0 1 HHAF O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 13835844 ZGVVXALTCVXMNS-XXBNENTESA-N 418.484 3.683 0 1 HHAF O=C1N[C@H](c2c[nH]c3ccccc23)CN[C@@H]1c1c[nH]c2cc(Br)ccc12 15266908 PZUOTISMYYMQAB-RBUKOAKNSA-N 409.287 3.914 0 1 HHAF biogenic Cn1c(=O)[nH]c(N2CCC(CCc3ccccc3)CC2)c(Cc2ccccc2)c1=O 28707998 NZXRYFRYGARNIY-UHFFFAOYSA-N 403.526 3.514 0 1 HHAF COc1ccc(Cc2cccc([C@@]3(c4ccccc4)N=C(N)N4CCCN=C43)c2)cc1 35943337 ORUROHUFAQTTIX-AREMUKBSSA-N 410.521 3.962 0 1 HHAF O=C1O[C@H](CO)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1 36479100 FBZDYLQFPLNXOA-ZDUSSCGKSA-N 404.344 3.531 0 1 HHAF in-vivo CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2ccc3c(c2C1)C(=O)NCC3 45348485 GSAFRMKQXDFZBL-IBGZPJMESA-N 421.516 3.851 0 1 HHAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179074 DHHZHKVUKPBZKI-UHFFFAOYSA-N 400.486 3.550 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccccc1[C@@H](NC(=O)C(F)(F)F)CC2=O 84604979 XEODPOWCFUSYHB-ZDUSSCGKSA-N 409.360 3.685 0 1 HHAF Cc1ccncc1NC(=O)N1CCc2nc(-c3cccnc3)nc(OC(C)C)c2C1 95561423 WJWQAGGWQPZIHU-UHFFFAOYSA-N 404.474 3.619 0 1 HHAF CN(C)CCCOc1ccc(-c2c[nH]c(=O)c(Cc3c[nH]c4ccccc34)n2)cc1 96921945 KBKZRLZUCVCMFR-UHFFFAOYSA-N 402.498 3.840 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccnc3ccccc23)CC1 101472716 IUBWXBRLMGUCLM-CESBHHQCSA-N 417.509 3.763 0 1 HHAF CN1CCN([C@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O 113699364 PCTUSXLXMCKLID-DHFPXDALSA-N 414.456 3.892 0 1 HHAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CC2(C)C)c1 114346341 BGKAQJOYFISGLZ-FZKQIMNGSA-N 403.486 3.886 0 1 HHAF C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@H]1C 117691683 JUHDVODXPWTTBZ-HOTGVXAUSA-N 413.481 3.831 0 1 HHAF C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n2[C@H]1C 148437245 KMZHUPNJAVFPRF-KBPBESRZSA-N 415.453 3.560 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc(Cl)cn3)c2)c2cncnc21 169707986 IVZWZSPXPIDZEI-UHFFFAOYSA-N 420.860 3.939 0 1 HHAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ccc(F)c(F)c1 205726149 BXXYRVZNPHWQAC-UHFFFAOYSA-N 409.439 3.753 0 1 HHAF CC(C)(O)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1 224407120 VYVUIBBWUGMHPS-UHFFFAOYSA-N 418.375 3.917 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCOc5ccccc54)ncc23)ccn1 261177864 VHJVQWYJIDRTPJ-KRWDZBQOSA-N 400.442 3.974 0 1 HHAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(O)cc2)CC(=O)O1 299809784 WWIFVGATCKIYGE-PRHHUSOWSA-N 406.544 3.663 0 1 HHAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C(C)(C)F)n2)c1O 299839301 SEWDJXPIGZYPQH-UHFFFAOYSA-N 403.863 3.672 0 1 HHAF CN1CCC[C@H]1c1ccc[n+](CCCCCNC[C@H]2CCc3ccc(O)cc3O2)c1 473112412 DTUYFIYHCUBCJI-RPWUZVMVSA-O 410.582 3.600 0 1 HHAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ncc(C(F)(F)F)cn1)C2 473170726 LWZHHMRTEVQFEO-CQDKDKBSSA-N 410.371 3.501 0 1 HHAF CN(C)CCOc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587023040 IISSGMWWVBLIDE-UHFFFAOYSA-N 403.508 3.974 0 1 HHAF O=C1CC=C(c2nc3ccc(Br)c(F)c3[nH]2)NN1Cc1ccc(F)cc1 587163982 PPRHLCZQYGPSGR-UHFFFAOYSA-N 419.229 3.882 0 1 HHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587189671 CGGSWFFTWDJVGK-QGZVFWFLSA-N 417.487 3.766 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 587378462 VHAOXNSUTQBUSA-GMAHTHKFSA-N 424.449 3.963 0 1 HHAF CCOC(=O)[C@]1(c2ccc(Br)s2)CC(=O)c2cc(C)cc(N)c2O1 587408344 BAHOWCHPYMLENZ-QGZVFWFLSA-N 410.289 3.825 0 1 HHAF COC(=O)c1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413009 LOEKYSDBAVSJRX-RDTXWAMCSA-N 403.228 3.733 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(N4CCOCC4)=CSc4ccccc41)[C@@H](C2)C3=O 587449323 ABQSRQOMCGVUKF-SBUREZEXSA-N 407.491 3.617 0 1 HHAF COc1ccc([C@]2(COC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598927 CKJNSOFRXWQUSZ-URXFXBBRSA-N 420.417 3.821 0 1 HHAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587605538 AVNTXEHLJMQEDV-ZFIFVKQDSA-N 422.433 3.573 0 1 HHAF C[C@H]1CN(C[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 587661619 SMXJHKWRSUUYCH-YESZJQIVSA-N 423.488 3.588 0 1 HHAF CCc1nnc(Sc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)o1 653773144 IVPVYAPQXLJNCM-UHFFFAOYSA-N 418.525 3.858 0 1 HHAF CCOc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)ccc1OCC(N)=O 962670054 UKTORTAJRXUKFW-VWLOTQADSA-N 402.494 3.852 0 1 HHAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(COCc3cccc(Cl)c32)N1 962703564 MAEIENRGUMAVON-YJBOKZPZSA-N 415.770 3.871 0 1 HHAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962769536 SDGOBTFEGGAIGJ-XQAUZQBESA-N 405.416 3.775 0 1 HHAF COc1ccc(-n2cc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)cc1 1857770231 OQQAIDWGCAJMGT-UHFFFAOYSA-N 400.417 3.827 0 1 HHAF CC1=C[C@H](CN2CCN(c3ccccn3)CC2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356499271 ZXLPVAUSODRGBJ-YPAWHYETSA-N 409.578 3.992 0 1 HHAF O=C(OCc1ccccc1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492063 UGTWYGSNMUJMKL-UHFFFAOYSA-N 418.428 3.936 0 1 HHAF COc1cccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)c1 13761455 UEZAHMGOKOCCEP-RUZDIDTESA-N 416.429 3.822 0 1 HHAF O=C(O)Cc1nn(Cc2nc3c(C(F)(F)F)cccc3s2)c(=O)c2ccccc12 13860740 ZVEWYXHREIADQE-UHFFFAOYSA-N 419.384 3.700 0 1 HHAF CCN(CC)C(=O)c1ccc([C@@H](c2ccnc3ccccc23)N2CCNCC2)cc1 22939829 BCKXYAOTMKQPFC-DEOSSOPVSA-N 402.542 3.711 0 1 HHAF Cc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1Br 26475466 XFMGYOLEYYPMEY-UHFFFAOYSA-N 410.087 3.617 0 1 HHAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](SCCO)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 28012441 KUSMQFPRLFHDBI-IGDGGSTLSA-N 412.592 3.984 0 1 HHAF COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 28817409 CLXMUYLJOYEQAM-IFMALSPDSA-N 422.481 3.542 0 1 HHAF COc1ccc(N2CCc3c(-n4ccc(N5CCCC5=O)n4)cc(C)nc32)c(C)c1 40865533 MPTOHMVIKGIXBA-UHFFFAOYSA-N 403.486 3.714 0 1 HHAF CC(C)CNC(=O)c1cnc(NCCCN2CCCC[C@H]2C)nc1NC1CCCC1 45357142 JHEBYHBZVSQGLI-GOSISDBHSA-N 416.614 3.893 0 1 HHAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@@H]2CC(C(C)(C)O)(C4)C3)C1 64514100 ZCQXBBVNHQBPQI-SMHFUUPSSA-N 422.566 3.688 0 1 HHAF Cc1nc(C(=O)N2CCOC3(CCN(Cc4cccc(Cl)c4)CC3)C2)cs1 64549056 KWUNZCGOPMIGFE-UHFFFAOYSA-N 405.951 3.612 0 1 HHAF COCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1 82132754 KFXGNIITZIVIRZ-UHFFFAOYSA-N 404.514 3.873 0 1 HHAF COc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)cc1 82179536 JYLWDZMZBWGASE-UHFFFAOYSA-N 400.486 3.962 0 1 HHAF Cc1ncccc1Oc1cc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CC2)ncn1 95596596 FJNBZVDJJCYAQC-UHFFFAOYSA-N 421.501 3.845 0 1 HHAF N[C@@H]1C[C@H](c2ccncc2CC(=O)c2cccc(-c3ccccc3F)n2)CC[C@@H]1O 96177724 FOOISWJTTOXPBF-OFSQETHSSA-N 405.473 3.664 0 1 HHAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccoc5)[nH]c4C)ccc3[nH]2)n1 115836036 AVFMXGXIWICDFU-UHFFFAOYSA-N 402.414 3.748 0 1 HHAF CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@H](CCc2ccccc2)C1=O 169718165 IMMCKYJRSDYXJG-CJFMBICVSA-N 407.510 3.648 0 1 HHAF O=C(c1ccc(F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 203788318 SBGDHJQZWJCENG-JTHBVZDNSA-N 405.473 3.895 0 1 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)c(OC)c1[C@@H](O)[C@@H](C)[C@H](C)C2=O 238774983 BEUGPSCQTBNYDU-OABGYEMISA-N 416.470 3.899 0 1 HHAF CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2cc(C)cc(C)c12 299820672 GQLCJEJXOMUZAN-UHFFFAOYSA-N 411.454 3.990 0 1 HHAF COC(=O)c1cc2nc(C[S@@](=O)CC3CC3)[nH]c2c(F)c1Nc1ccccc1 586961024 ZPCRYFWYQOLHPI-NDEPHWFRSA-N 401.463 3.891 0 1 HHAF Cn1nnc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C(F)F 587129257 VJVRYXTUKWZAFO-UHFFFAOYSA-N 412.116 3.957 0 1 HHAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)ncc2[nH]1)c1ccc(F)cc1 587169761 JWWLFDQCMTUTNK-SFHVURJKSA-N 416.865 3.818 0 1 HHAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527467 WYEVHHURJGYVIY-MBSDFSHPSA-N 402.487 3.812 0 1 HHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587560761 JXVKZKKGIUYWHE-LKDJBHKASA-N 409.530 3.853 0 1 HHAF Cc1ccnc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576658 HOYXGXRBXLYPAK-NZQKXSOJSA-N 404.422 3.845 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)O 587595909 PTZIRWGREOZZMB-OFNKIYASSA-N 422.389 3.567 0 1 HHAF CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C 587774473 ODDYSPIIAUVQGK-YBTHPKLGSA-N 403.295 3.905 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(C(C)C)c(O)n1 587866036 BRDPCUZEDJOHPE-UHFFFAOYSA-N 408.380 3.800 0 1 HHAF O=CN1N=C(c2ccc(F)cc2)C[C@H]1c1cc2ccccc2nc1N1CCOCC1 653721464 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C[C@@H]1CC(=O)Nc2c(CCN3CCN(c4noc5ccccc45)CC3)cc(F)cc21 28525924 CMUNQMWNWMOYLV-OAHLLOKOSA-N 408.477 3.777 0 1 HHAF CN(C)C(=O)c1c[nH]c([C@H](O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 40764416 XEZKESPNZFUTJB-HXUWFJFHSA-N 408.889 3.850 0 1 HHAF NC1CCN(CCc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)CC1 45189229 HPSFMAXGOLBBMZ-UHFFFAOYSA-N 409.555 3.606 0 1 HHAF O=C(Cc1ccccc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72141328 FMLVPBKDWXMDJI-XMMPIXPASA-N 422.479 3.668 0 1 HHAF Cc1ccc(NS(=O)(=O)c2cc(Br)cc3c2NC(=O)CC3)cc1C 73157156 MJVMZXVNNVBUIG-UHFFFAOYSA-N 409.305 3.751 0 1 HHAF CCCCNC(=O)[C@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C 82070215 LNDJHXLEGGPANJ-GOSISDBHSA-N 403.548 3.880 0 1 HHAF CC(C)c1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 84596650 BSKMSJDTAODBLA-UHFFFAOYSA-N 418.549 3.518 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95877988 JKBWWZVRFOKLPS-MQNAVGNWSA-N 403.457 3.878 0 1 HHAF CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2ccccc2)N2C(=N1)Sc1ccccc12 96932861 BPSQNIJORMQLFV-OAQYLSRUSA-N 404.539 3.758 0 1 HHAF COc1ccccc1OCCNC[C@@H](O)COc1cccc2c1[nH]c1ccccc12 96939585 DROFGBXKPGGRDP-QGZVFWFLSA-N 406.482 3.738 0 1 HHAF O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cc2N1 143663766 LRWZODJXSALMAZ-QGZVFWFLSA-N 401.413 3.894 0 1 HHAF Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1 199132851 WMXGAPSVYBRNKH-UHFFFAOYSA-N 404.513 3.733 0 1 HHAF O=S(=O)(c1ccc(F)cc1)c1cnc2cc(Cl)ccc2c1N1CCOCC1 201540609 DCAWTQFOJMOMCL-UHFFFAOYSA-N 406.866 3.697 0 1 HHAF COc1cc(OC)cc(N(C[C@H](C)N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204171834 AHWOGVXLWKIELS-HNNXBMFYSA-N 418.501 3.533 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(F)(Cc2ccc(Cl)cc2F)CC1 207299466 RXIULEDXXPGKEE-UHFFFAOYSA-N 403.882 3.555 0 1 HHAF CSc1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1 586945390 HKPKOHDQBAXENN-AWEZNQCLSA-N 417.556 3.718 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586946328 VFFUBZLWMCPHOZ-UHFFFAOYSA-N 407.801 3.853 0 1 HHAF Clc1cnn(COc2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1 587082360 PEDHBHHMSZHHRX-UHFFFAOYSA-N 423.904 3.949 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C(O)O)[C@H]1c1ccc(F)cc1 587326780 DAZOADRDBISNII-UGKGYDQZSA-N 414.816 3.750 0 1 HHAF Cn1ccnc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344159 WCIZDNMXSDRJKB-URXFXBBRSA-N 415.424 3.963 0 1 HHAF CCOC(=O)c1c(N)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576643 PELUVYSLCWGLSF-MBSDFSHPSA-N 423.421 3.930 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cnc3ccccc3c2=O)N1 587775143 QXUUZWGJHRAACY-YUNKPMOVSA-N 416.294 3.748 0 1 HHAF COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587795090 QLFNXNSGOXPYEX-NSPYISDASA-N 408.267 3.764 0 1 HHAF O=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1 653687119 UGRYVQVSCSWCQH-UHFFFAOYSA-N 403.526 3.878 0 1 HHAF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)c3cc(N)ccc31)N(C)[C@@H](C)C2 962628357 HFSMNKDJULNQFJ-QWXGXRTQSA-N 414.505 3.999 0 1 HHAF CCCCCCS(=O)(=O)c1nnc(COc2cc(C)c3c(C)cc(=O)oc3c2)o1 1857764372 FTHZDIIMAJONCJ-UHFFFAOYSA-N 420.487 3.726 0 1 HHAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 1857765055 DXQFYEUHNLIBNK-SFHVURJKSA-N 403.916 3.798 0 1 HHAF Cc1noc(C)c1-c1nn(Cc2ccc(C(=O)NC3CC3)cc2)c(=O)c2ccccc12 1857771690 PUNICAXIUBETTD-UHFFFAOYSA-N 414.465 3.609 0 1 HHAF CCCCn1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 3591136 PLPMBVMRDCFFRY-UHFFFAOYSA-N 417.509 3.609 0 1 HHAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055901 DSBLOZMBPHVCER-UEXHFKJGSA-N 400.906 3.955 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153395 YTQIWACAWZKGIH-FKPGQJDZSA-N 414.527 3.658 0 1 HHAF COc1cccc(N2C(=O)CS(=O)(=O)[C@@H]2c2cccc(Oc3ccccc3)c2)c1 6040338 OJQZFVQBYOKAAR-JOCHJYFZSA-N 409.463 3.948 0 1 HHAF Cc1nnc2n1-c1ccc(I)cc1[C@@H](c1ccccc1F)NC2 13821074 MFXLZXFPLXYQJB-QGZVFWFLSA-N 420.229 3.512 0 1 HHAF O=C(O)Cn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2 28339400 HXBMBEUWOITCSP-UHFFFAOYSA-N 402.447 3.545 0 1 HHAF CC(C)CN1C(=O)C[S@](=O)[C@H]1c1cnccc1-c1ccc(Br)cc1 28819637 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CCOC(=O)c1cc2cc(-c3ccnc(C(=O)NCc4ccncc4)c3)ccc2[nH]1 115834658 JKJVYCFDDYXLFV-UHFFFAOYSA-N 400.438 3.732 0 1 HHAF COCCNC(=O)c1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1 144291487 XNIWSMFIBNKKLN-UHFFFAOYSA-N 403.482 3.935 0 1 HHAF Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O 146772963 ZKMZBCLSLVYACG-UHFFFAOYSA-N 415.515 3.617 0 1 HHAF Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1nc([C@@H](C)O)[nH]c1C 219003370 ZNMZOFUHUFRYTB-MRXNPFEDSA-N 418.472 3.939 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cn5cccc(C)c5n4)ncc23)ccn1 261189610 YQCSDIPSNKJYHN-UHFFFAOYSA-N 412.457 3.606 0 1 HHAF CN(C)CCOc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984184 NVPCYOACMBFGJY-MRXNPFEDSA-N 403.324 3.508 0 1 HHAF O=C1CCc2cc3nc(Cn4c(-c5cscn5)nc5ccccc54)[nH]c3cc2N1 587029098 HQGFFSRGBQMRLL-UHFFFAOYSA-N 400.467 3.969 0 1 HHAF COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587241087 YZHMKHMLBQZLHR-LBJGKRIESA-N 402.495 3.522 0 1 HHAF C[C@@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 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Cc1cc(-c2nnc3n2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)no1 95566084 MYMSDWRFXLVWPY-UHFFFAOYSA-N 411.771 3.570 0 1 HHAF O=C(Cc1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95878353 FNCLCMYYCNLZAM-ZWSUVBHBSA-N 417.484 3.806 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@@H]1CO 95878557 OLHNUQHRDCUWEB-FGCOXFRFSA-N 417.484 3.902 0 1 HHAF CCc1sc(C(=O)N[C@H]2[C@H](N)CCCC2(F)F)cc1-c1cnc2cc(C)cnn12 96177978 WGNQNMPDQIMYJJ-ACJLOTCBSA-N 419.501 3.574 0 1 HHAF NS(=O)(=O)c1ccc2nc(-n3nc(C(F)(F)F)cc3-c3ccccc3)sc2c1 103173270 YPFIBVYRAOHKRY-UHFFFAOYSA-N 424.429 3.815 0 1 HHAF CNC[C@H](Nc1ncnc2c(C(N)=O)cc(-c3ccsc3)cc12)c1ccccc1 114344529 CXYKJAAMQBLUAU-IBGZPJMESA-N 403.511 3.830 0 1 HHAF O[C@@H](N1CCC[C@@H](c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)C1)C(F)(F)F 202728713 TYIKZIHQTXJZEF-AUUYWEPGSA-N 403.408 3.594 0 1 HHAF C[C@@H](NC(=O)Nc1ncc2c(OCc3cccnc3)n[nH]c2c1F)c1ccccc1 209396608 HSJPRAWOSKXJOP-CYBMUJFWSA-N 406.421 3.954 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(NC)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253632717 ATNLARLOBDNYEU-QMDPGFMLSA-N 403.611 3.839 0 1 HHAF CC(C)N1c2ccccc2[C@H](c2ccc(F)cc2)[C@@H]1/C=C/[C@@H](O)C[C@H](O)CC(=O)O 299847744 CRBHVCVVJPUERN-GIGMEPJLSA-N 413.489 3.697 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccnc(OC)c3[nH]1)C(=O)OC2 586915203 IFHHGKAKVMSREV-LFYBBSHMSA-N 423.469 3.781 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)o1 586923815 WOXPZHLDIDBFQB-UHFFFAOYSA-N 420.853 3.942 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587227942 BOZAZOJYNGPMSC-UHFFFAOYSA-N 422.363 3.960 0 1 HHAF COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cnc1N 587392168 XQFVWPKRLQVMKP-FQEVSTJZSA-N 403.438 3.715 0 1 HHAF CCOC(=O)[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590050 WUEINILCJQDISI-JPYJTQIMSA-N 405.406 3.516 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCOCC2)c1 587597508 VJTJRLJNVHPHAI-URXFXBBRSA-N 403.434 3.932 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 587838600 OIFLOWNOWGEVQB-OVWNDWIMSA-N 404.235 3.970 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(Cc3cnc[nH]3)c2)N1 962691838 DISIAXKUGJKBGV-MOPGFXCFSA-N 419.378 3.847 0 1 HHAF COc1ccccc1[C@]1(CCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962767742 QOOXGADFVGJOTF-LAUBAEHRSA-N 421.415 3.839 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CCC[C@H](n3ccnc3)C2)N1 962926688 TXBRDSHQFQRCJJ-OWSXEPHWSA-N 419.481 3.991 0 1 HHAF Cc1nc2ccncc2cc1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974951 LSAZCNQHXUGJQX-OXJNMPFZSA-N 403.816 3.732 0 1 HHAF CCCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1 1857761173 DEGUDXJXTJSIFF-SFHVURJKSA-N 414.512 3.929 0 1 HHAF COc1ccc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3ncccc23)cc1O 1911582571 RJLXNVILFANSGP-UHFFFAOYSA-N 407.426 3.828 0 1 HHAF CN1CCN(CCCNC(=O)c2ccc(CSCc3cccc(Cl)c3)o2)CC1 20730526 FEESEYQAWPFCPT-UHFFFAOYSA-N 421.994 3.734 0 3 HHAF COc1c(Cl)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1Cl 205707692 AESGLXVLIHUKMR-UHFFFAOYSA-N 401.198 3.947 0 3 HHAF in-vitro COC(=O)c1c(O)cccc1OC/C=C/c1ccc(F)c(-c2cc(C(=O)O)no2)c1 2047375 QKHWJUMLYAYZFS-ONEGZZNKSA-N 413.357 3.763 0 1 HHAF in-vivo O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F 2480239 QQSKLFKMINGBMK-UHFFFAOYSA-N 423.213 3.771 0 1 HHAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049300 RCVMNZPMAHFCQI-YJGRUCBDSA-N 401.510 3.998 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4204887 FWVVOHJECSTCGD-RRPUWOKSSA-N 420.465 3.620 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CCOCC1 4310691 RQSRUKINBFTQMS-RTWAWAEBSA-N 404.507 3.577 0 1 HHAF O=S(=O)(O)c1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27181191 MVUAFKQOTLQRMZ-DENIHFKCSA-O 420.466 3.832 0 1 HHAF Cc1c(C)c2ccc(OS(=O)(=O)c3ccc(Br)cc3)cc2oc1=O 28218267 ZVQFPUKSTUBFDJ-UHFFFAOYSA-N 409.257 3.940 0 1 HHAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c(C(=O)NC)[nH]c1=S 28351894 XMGGSSCTVVSRCR-NSHDSACASA-N 401.319 3.571 0 1 HHAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(N)=O)ccc21 28952199 OCRFZPYEMMCGLK-UHFFFAOYSA-N 419.529 3.927 0 1 HHAF CS(=O)(=O)c1ccc(-c2nc(NCc3ccc(O)cc3)cc(C(F)(F)F)n2)cc1 29132036 CZXMLLSNIMHIFO-UHFFFAOYSA-N 423.416 3.884 0 1 HHAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(=O)NC3CC3)cc2)S1)c1ccc(F)cc1 40848108 VSKLTPJPTOYPER-WHEQGISXSA-N 411.502 3.913 0 1 HHAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(C)(C)C(N)=O)cc2)S1)c1ccc(F)cc1 40981009 UVZADTRPDLJMNV-WHEQGISXSA-N 413.518 3.784 0 1 HHAF CC(=O)C[C@]1(O)c2ccc(Br)cc2-[n+]2ccc3c([nH]c4ccccc43)c21 73160202 RYRZLWBLGTWUGK-NRFANRHFSA-O 408.275 3.889 0 1 HHAF CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085800 XOIWEFSCHCEZPB-UHFFFAOYSA-N 415.902 3.716 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95869199 OAKICYHVDOOXEH-YFXJRYMSSA-N 403.457 3.878 0 1 HHAF O=C(c1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95877883 OYARCXHZSFONHV-PMOQBDJRSA-N 403.457 3.878 0 1 HHAF CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 103239211 VDZKYCXBCMIQDA-WOVMCDHWSA-N 413.522 3.665 0 1 HHAF O=C1NCCN1CCNCc1ccnc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 114592479 LZDCAAXIDFIAIB-UHFFFAOYSA-N 406.461 3.795 0 1 HHAF CC(=O)N1CCC(c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)CC1 145887731 NEQMSIHABJJZOZ-CALCHBBNSA-N 423.542 3.834 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3F)C2)cc1 169709822 DPBMDJHONCFEFR-MGPUTAFESA-N 413.493 3.864 0 1 HHAF CCO[C@]1(c2ccc(Br)cc2)Sc2ccccc2-n2c1noc2=O 299865634 OAMJWPLGTPOCHV-QGZVFWFLSA-N 405.273 3.931 0 1 HHAF N[C@@H](N=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586999249 WSTRVCZVUIPGIY-WVMJFEGXSA-N 401.220 3.948 0 1 HHAF O=S(=O)(NCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(F)c(F)c1F 587134009 HQSKMPNLZLAERY-UHFFFAOYSA-N 410.204 3.766 0 1 HHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(Cl)ncnc2[nH]1 587167246 JFILZMUEFCEJEX-UHFFFAOYSA-N 409.855 3.675 0 1 HHAF O=C1CCc2cc3nc(-c4cc(I)ccc4F)[nH]c3cc2N1 587182680 NXAQWXTXADYLCE-UHFFFAOYSA-N 407.186 3.858 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587202123 FSXUUOMQKPVGQX-NSHDSACASA-N 409.229 3.707 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CO)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238305 BTGMHWVBQWAKJK-SRVWHDFXSA-N 401.507 3.610 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(Br)c21 587457926 DKWZZJSVWMENHO-LJQANCHMSA-N 402.244 3.920 0 1 HHAF COc1ccc(N)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC 587740464 BDOPAOPNGHANGX-DGIBIBHMSA-N 409.299 3.985 0 1 HHAF CCC[C@@H](CC1(c2nc3c(O)nc(N)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782688 WTQICDLGYVXZEG-INIZCTEOSA-N 423.517 4.002 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NS(C)(=O)=O)N1 587840154 JUSFTXREWOZLSS-BMLIUANNSA-N 413.312 3.583 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1cc(Cl)cn1 587868654 QVKODVNVNJRZEB-SNVBAGLBSA-N 413.787 3.799 0 1 HHAF CCc1oc(-c2ccc(OC)c(OC)c2)cc1C(=O)N[C@@H](CO)Cc1ccccc1 621431159 VKBLDVNBDCEZSJ-GOSISDBHSA-N 409.482 3.860 0 1 HHAF NC(=O)c1ccc(COc2ccccc2-c2ccn([C@H]3CCCC[C@@H]3O)c(=O)c2)cc1 653699582 BUWLGZNCTSGQOB-VXKWHMMOSA-N 418.493 3.669 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(Br)cc1C(=O)O 963614547 XEQAOQKREANQRR-YPMLDQLKSA-N 406.276 3.788 0 1 HHAF CCOC(=O)C(C)(C)C[C@@]1(c2cc(F)c(F)c(F)c2)c2c(cnn2C)CCN1C 963955543 QEARVLDCTOYXAC-OAQYLSRUSA-N 409.452 3.548 0 1 HHAF COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1OC 1772621169 UPXRCTDWVJRHGL-UHFFFAOYSA-N 401.426 3.599 0 1 HHAF CCOCc1cn(-c2cccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c2)nn1 1857613037 GIFBUHZWDPHAPF-UHFFFAOYSA-N 400.504 3.728 0 1 HHAF O=C(NCc1ccccc1)[C@@]1(C(=O)C2CC2)CC(c2ccccc2C(F)(F)F)=NO1 203474002 HQIWHFTVZYGHSB-NRFANRHFSA-N 416.399 3.864 0 3 HHAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(OC)cc2)c2c(F)cccc21 206033456 CVTAXDVFZNAAFY-OAQYLSRUSA-N 408.429 3.949 0 3 HHAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 13526239 PTPSBYOWELRFJR-FGZHOGPDSA-N 407.558 3.517 0 1 HHAF c1cc(C[n+]2ccc(N3CCCC3)cc2)ccc1C[n+]1ccc(N2CCCC2)cc1 13584348 ZKSXDCGANRXIEB-UHFFFAOYSA-N 400.570 3.559 0 1 HHAF Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 13608394 VUENEGTTYJEDTI-MRXNPFEDSA-N 408.907 3.939 0 1 HHAF COc1ccccc1[C@]1(O)OC(=O)C(c2ccc3c(c2)OCO3)=C1Cc1ccccc1 13761454 KDCDOLUMTVGNHE-VWLOTQADSA-N 416.429 3.822 0 1 HHAF O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)cc21 64540773 UHNTXNSIJZQVSR-UHFFFAOYSA-N 419.500 3.813 0 1 HHAF CN1CCC[C@H]1c1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cn1)C2 96174243 RKLNNMLXUKFPKO-QPPBQGQZSA-N 405.542 3.877 0 1 HHAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@@H](C(=O)N(C)C)C3)cc12 114765198 JFNCIPNVTAPVEE-CABCVRRESA-N 402.564 3.898 0 1 HHAF O=S(=O)(c1cccc(-n2cccn2)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147464753 CNYWPIIVYTUKFI-UHFFFAOYSA-N 413.886 3.750 0 1 HHAF CC(C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C 168176842 NFMFQNYGATXKRO-GCJKJVERSA-N 423.985 3.518 0 1 HHAF C/C=C(/C)C(=O)O[C@H]1C=C2[C@@H](OC)O[C@H](OC(C)=O)[C@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 238772832 WEMIALKTULZOFO-UCMUNIOYSA-N 404.503 3.755 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OC1CC1)[C@@H](c1ccc(I)cc1)C2 253794785 XVJBDXSALDAGPI-PQEBFOHHSA-N 411.283 3.563 0 1 HHAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@H]1c1ccc2c(c1)OCCO2 299833873 AIORHDXVRJHMHR-AWEZNQCLSA-N 412.389 3.512 0 1 HHAF COc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)c(-c2cccc(O)c2)c1O 299855011 CGWQJYYROPLPQA-UHFFFAOYSA-N 422.481 3.966 0 1 HHAF CCS(=O)(=O)c1cccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c1 586921820 GJNOIEYHHDUJMJ-UHFFFAOYSA-N 414.712 3.758 0 1 HHAF Cc1ccc2c(ccc3[nH]c(-c4ccc(S(=O)(=O)NC[C@@H]5CCCO5)cc4)nc32)n1 586946811 QDHYLCRRWFACSF-INIZCTEOSA-N 422.510 3.544 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)c(Cl)cc2[nH]1 586964580 HLZWTDDWISSVLH-UHFFFAOYSA-N 401.927 3.982 0 1 HHAF Fc1ccc(-c2cn3c(Cc4nc5ccc(-n6cnnn6)cc5[nH]4)csc3n2)cc1 587165929 HVCKRMZISJNWRS-UHFFFAOYSA-N 416.445 3.645 0 1 HHAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cn1 587239135 IKELNZQGVPVKAT-CFTTWAEZSA-N 402.495 3.522 0 1 HHAF N[C@H]1CC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587246103 CKOLKBUJVTULBV-KBPBESRZSA-N 410.421 3.587 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCC(C(=O)O)CC4)cc1)[C@@H](C2)C3=O 587439469 UJTZGFQKUYSRJY-YADARESESA-N 407.466 3.659 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](N=O)C(=O)Nc1ccccc1OC)CC2=O 587467642 BKTZMZSGMZYJIY-IFMALSPDSA-N 412.442 3.851 0 1 HHAF COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587577769 LQWMHZCXGCNOBG-NFBKMPQASA-N 407.422 3.869 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C=O 587591076 FRMTXJNKEZWPLV-NFBKMPQASA-N 406.390 3.925 0 1 HHAF CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1N1C(=O)c2ccccc2C1=O 587631517 DCCRJKHAXXXRDM-UHFFFAOYSA-N 400.793 3.867 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C2CCOCC2)N1 587753841 JYNFSQRIVKFMFW-BLVKFPJESA-N 408.315 3.526 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826187 DDLUBDUWQNIVQQ-JEOXALJRSA-N 424.266 3.747 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cc(=O)n(CC(C)C)[nH]1 587863349 HBNFRQSQOXIRGT-UHFFFAOYSA-N 422.407 3.606 0 1 HHAF CCOc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12 653693419 GKYZWZKQBZYQOH-UHFFFAOYSA-N 422.525 3.825 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(N4CCCC4)nc3F)N12 962645940 SGQNFWKUPIKHAY-HYBUGGRVSA-N 420.488 3.557 0 1 HHAF CC(C)[C@]1(Cc2cccnc2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963135532 DVKXUEZLQZHPNN-HRAATJIYSA-N 417.531 3.879 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C(=O)N(CC)C(=O)c1cc(OC)cc(OC)c12 963234051 DXROIDGJUIMYEC-IVCQMTBJSA-N 422.525 3.606 0 1 HHAF Cc1cc2c(cc1O)[C@H](c1ccc3ccc(Br)cc3n1)N[C@H](C(=O)O)C2 963529860 ZGYKTIMEOJBOQU-PKOBYXMFSA-N 413.271 3.700 0 1 HHAF O=C(NCC(=O)c1c[nH]c2ccccc12)C(=O)c1c[nH]c2cc(Br)ccc12 1857606558 SZIYAYYGVWJFGQ-UHFFFAOYSA-N 424.254 3.594 0 1 HHAF COc1cc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2COC(C)=O)ccc1O 1857641239 JKDRDNHHEAWWJI-LBSHBVKLSA-N 400.427 3.758 0 1 HHAF CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356645064 DNXLCKCNCYSVJX-AKFKNWHVSA-N 400.563 3.966 0 1 HHAF COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cccc(C)c1 11874106 AYFOAZNGEKPFOR-OAQYLSRUSA-N 406.570 3.963 0 3 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 61903491 MLNHIGLZWRVBEV-OAQYLSRUSA-N 423.419 3.605 0 3 HHAF O=C(c1cccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 13738820 TZZIVXAWTHQIES-PMACEKPBSA-N 424.566 3.936 0 1 HHAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(OC)cc3)cc21 72114181 UULHXCBKGQSPHP-SFHVURJKSA-N 411.454 3.525 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 72136783 LBEMSNVHEADUTJ-XUVXKRRUSA-N 408.527 3.715 0 1 HHAF Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)n2nc(-c3cccc(F)c3)cc2n1 72185650 QFHPQUIMFLXPQV-UHFFFAOYSA-N 411.481 3.901 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCOCCCC 82210833 QMRXDJZAWQBKNQ-YIGXYWRJSA-N 422.610 3.842 0 1 HHAF COc1ccccc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100564354 SAHPPZJDNUZVEW-NILVNCKXSA-N 422.319 3.911 0 1 HHAF Cc1ccc(-n2cc(CN3C(=O)S/C(=C\c4ccc5c(c4)OCO5)C3=O)nn2)cc1 103279652 JNSBPFSZVZTOIJ-OCKHKDLRSA-N 420.450 3.541 0 1 HHAF O=C1c2ccccc2[C@](O)(c2ccc3[nH]c(=O)[nH]c3c2)N1c1cccc(Cl)c1F 116256109 MPBLSRRIBYVXJE-OAQYLSRUSA-N 409.804 3.503 0 1 HHAF O=C(N[C@@]1(C(=O)O)Cc2ccc(C(F)(F)F)cc2C1)c1cccc2c1CCCC2 146512307 ZRRSNBBGZBTVMN-NRFANRHFSA-N 403.400 3.936 0 1 HHAF N[C@@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146516676 UPUBYODLRVJDSY-LJQANCHMSA-N 407.587 3.998 0 1 HHAF CCn1nc2c(c1C)[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O 261127987 KOSOJYPHXKHVFL-IBGZPJMESA-N 414.868 3.761 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](c4cccnc4)C(F)F)ncc23)ccn1 261171168 SYIABDCFDSOGES-GOSISDBHSA-N 409.400 3.851 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299874952 CFQIMGCYJGHZIT-ZHBSVVMTSA-N 410.514 3.700 0 1 HHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586931071 ULKVEERTSARZKR-UHFFFAOYSA-N 413.478 3.585 0 1 HHAF Cc1c(Br)cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1C 586952231 FAHDWCYDQULWOB-UHFFFAOYSA-N 414.369 3.940 0 1 HHAF CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 587347815 QHWHZBCIJSKYKX-KNQAVFIVSA-N 411.385 3.970 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)O2 587375506 DGGSKYLWMKUSEI-DYZYQPBXSA-N 420.259 3.898 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cc(I)cnc1N)CC2=O 587469580 NWYRMQXFHMMEAT-HNNXBMFYSA-N 424.238 3.633 0 1 HHAF CCOC(=O)C[C@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC 587524404 NWQCCFPDHQSWPZ-MWTRTKDXSA-N 402.487 3.812 0 1 HHAF CN(C)C(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574846 ZDWNDHYCLLSAFM-QPPBQGQZSA-N 419.433 3.562 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C(=O)C2 587582136 KCSIPFBPQNTBDO-RDGATRHJSA-N 415.445 3.915 0 1 HHAF COC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587591598 DBFLRHMGEGSWGG-REWPJTCUSA-N 406.390 3.647 0 1 HHAF C[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597685 VQGBYJKZUZJHTL-NZQKXSOJSA-N 403.390 3.600 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)cnn2C)N1 587680770 QIPZXOXAMVMKNT-GLEZIHRCSA-N 417.120 3.882 0 1 HHAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587722806 SYWKVKGVMPNZLN-CQLKUDPESA-N 402.258 3.981 0 1 HHAF CCC[C@H](CC1(c2nc3c(O)nc(N)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782695 WTQICDLGYVXZEG-MRXNPFEDSA-N 423.517 4.002 0 1 HHAF CN(C)CCNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1N 653707135 BRKHVDUFOBHDAS-UHFFFAOYSA-N 421.522 3.626 0 1 HHAF COCCCNc1nc(C)c([C@@]2(C)NCCc3cnc4c(OC)cccc4c32)s1 963049013 AELHFEQXAYQGTK-QFIPXVFZSA-N 412.559 3.866 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCC13CCOCC3)N(C(=O)c1ccccc1N)CC2 963163148 ZOMYIWMJGRAKEO-VWLOTQADSA-N 422.525 3.770 0 1 HHAF Cc1cc2c(cc1O)[C@H](c1c[nH]c3c(Br)cccc13)N[C@H](C(=O)O)C2 963475061 ZRWFUHXERJKJKU-DOTOQJQBSA-N 401.260 3.633 0 1 HHAF COc1cc(OC2CC2)cc(-c2ccc3c(c2)CC[C@H](CCc2nn[nH]n2)O3)c1F 1772642571 HDJUXRGWNBPXKN-MRXNPFEDSA-N 410.449 3.882 0 1 HHAF O=c1cc(NCCN2CCN(c3nccc4ccccc34)CC2)c2ccccc2o1 1857591013 VWPAFPKFJXSGFM-UHFFFAOYSA-N 400.482 3.575 0 1 HHAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)cc1 1857752411 MYHOTBKFKNEQAJ-UHFFFAOYSA-N 419.456 3.679 0 1 HHAF CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356311764 FDJDVZHBIBAAPU-LZLYRXPVSA-N 421.538 3.822 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356725968 PCOBWHLXUVIGDB-IMSXRSKXSA-N 420.534 3.885 0 1 HHAF COC(=O)c1cnc(Nc2nc([C@H](N)Cc3ccccc3)cs2)nc1C(F)(F)F 61906339 LCIVQUSCXYZGOW-GFCCVEGCSA-N 423.420 3.725 0 3 HHAF CC(=O)Nc1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 23875505 NQLUONIFRBGZCR-UHFFFAOYSA-N 408.889 3.809 0 1 HHAF CCCC[C@@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O 26574797 AIWIIFQDNNXGPT-IBGZPJMESA-N 423.513 3.581 0 1 HHAF CCc1c(C(=O)C(N)=O)c2c(OCCCC(=O)O)cccn2c1CC1CCCCC1 27189731 OIUYMVCQGRWPBK-UHFFFAOYSA-N 414.502 3.536 0 1 HHAF CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccccc1 28331915 VQWPYIMGTZFQAI-XPIZARPCSA-N 401.484 3.906 0 1 HHAF C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 28890180 NMRXLBVWNBWRLE-INIZCTEOSA-N 403.262 3.690 0 1 HHAF COc1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)nc2)c1 45337992 ZWNCITRAMJFPMV-UHFFFAOYSA-N 404.397 3.958 0 1 HHAF CCCOc1ccc(C)nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1cnc(C)c(C)n1 68208626 RIMGIFBTWVGMNA-QYZOEREBSA-N 409.534 3.548 0 1 HHAF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144552 MLKVQEKNYCYYLR-KGLIPLIRSA-N 416.522 3.908 0 1 HHAF C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)cn3)cc2)CCN1 95598495 RASAAUKCNPAJQJ-SFHVURJKSA-N 418.516 3.958 0 1 HHAF CCOc1ccccc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168459192 PUPINHJTUAUZNR-UHFFFAOYSA-N 403.482 3.891 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CN[C@H](c5ccccc5)C4)ncc23)ccn1 219765482 ZUSODJUDTVJWJZ-HKUYNNGSSA-N 413.485 3.553 0 1 HHAF Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CNCCO)cc2F)cn1 224717914 VHPKUMFFKSULRD-UHFFFAOYSA-N 406.383 3.633 0 1 HHAF CC1(C)CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@@H]12 238773380 BUXFGRWORDRRTK-SUFPNDIZSA-N 412.482 3.581 0 1 HHAF O=C(c1cccc(N2CCCCC2)n1)N(C1CC1)[C@H]1CC[C@](O)(C(F)(F)F)CC1 299863656 LHUKGKRAXVLXAI-MOBUCQHHSA-N 411.468 3.913 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 299883455 RJQYILQJIQRYRJ-QONVVCGCSA-N 416.562 3.866 0 1 HHAF COC(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586985615 WLLZFRQVSZBVIM-MRXNPFEDSA-N 415.291 3.692 0 1 HHAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1OC 586986022 ULLIPEUKNUJPJQ-AWEZNQCLSA-N 418.291 3.763 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Br)ccnc3[nH]2)C(F)(F)C1 587131753 CBHFTIJLTGVXPE-QMMMGPOBSA-N 403.227 3.690 0 1 HHAF COc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 587158294 WAPYEACQPQLPNI-UHFFFAOYSA-N 418.226 3.703 0 1 HHAF CC1(C)Cc2ncnc(N)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587338810 RSULNGZCWFBEBW-DVECYGJZSA-N 419.456 4.130 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(C(=O)O)cc1)(c1ccc(C(=O)O)cc1)O2 587406092 FNYHOIKBXCLXGJ-UHFFFAOYSA-N 417.417 3.883 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@H]1N=O 587487074 CWSVFDPCHYDPLI-GCJKJVERSA-N 407.426 3.799 0 1 HHAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581023 UPRRUPSFZAOYRZ-XUZZJYLKSA-N 417.417 3.990 0 1 HHAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(N2CCOCC2)cc1 587632414 XAWSWKGXSBQILT-UHFFFAOYSA-N 416.836 3.815 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 587714915 GMGYZOYREWCJIC-QPFGOUBPSA-N 400.194 3.729 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2C(=O)COc3ccccc32)N1 587769456 NOGUHOLWJXRVNE-MEDUHNTESA-N 405.267 3.589 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 587801704 HUFPKZSDAWIUDA-GIGQVBGESA-N 403.251 3.932 0 1 HHAF Cc1ccc(C)c([C@@]2(CO)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962922516 CZKUPYQTGWXQNG-UKILVPOCSA-N 419.477 3.636 0 1 HHAF CC(C)OC(=O)Cn1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962935153 ZADPOFIFDJWOIU-XMMPIXPASA-N 419.525 3.530 0 1 HHAF NC(=O)c1ccc(N[C@H]2CCCC[C@H]2N)cc1Nc1ccccc1Br 1772600637 ONXKXNWZCWHUJG-WBVHZDCISA-N 403.324 3.973 0 1 HHAF COc1ccc(N(C(=O)NCCCn2cncc2C)c2nccs2)cc1OC 1857613520 JIUAFPYSIJRSNB-UHFFFAOYSA-N 401.492 3.603 0 1 HHAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@H](O)[C@H]2CC(=O)Nc1cccc2ccccc12 2356353193 JSVFQDLQYSSUGR-UPDLAZJFSA-N 411.542 3.715 0 1 HHAF COc1ccc([C@@H]2O[C@](OC)(c3ccc(OC)c(OC)c3)[C@](C)(O)[C@@H]2C)cc1OC 2356413272 VOCDWVXLKPORDZ-KBIFEVAGSA-N 418.486 3.679 0 1 HHAF COC(=O)CC[C@H](NC(=O)C[C@H](O)CCCCCCCCCC(C)C)C(=O)OC 2356549184 UQURVAIEMADBIE-MOPGFXCFSA-N 415.571 3.515 0 1 HHAF COc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 4104166 WDMWJMVFRAYASA-UHFFFAOYSA-N 406.364 3.839 0 3 HHAF CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 263591847 KTVAFYJJTHCQRJ-POJUEXTFSA-N 405.285 3.628 0 3 HHAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCOC)cc1 4207069 NMEOEYFCGCZBEO-TZIWHRDSSA-N 416.905 3.983 0 1 HHAF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4208406 UDDSWRHQPJXUDV-SJBKTWHCSA-N 424.884 3.745 0 1 HHAF COc1ccc(C)cc1NC(=O)CN1c2ccccc2S(=O)(=O)c2ccccc21 6915206 PHCRBKNOFHXZFD-UHFFFAOYSA-N 408.479 3.927 0 1 HHAF COc1cccc(-n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1 14954869 RTOLRZJVJBIABS-UHFFFAOYSA-N 414.513 3.925 0 1 HHAF CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 15955879 KEHPXJNYNOBDKA-ZJSXRUAMSA-N 401.510 3.961 0 1 HHAF biogenic CN(C)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289316 KQABJETUKXUAAM-UHFFFAOYSA-N 401.312 3.895 0 1 HHAF CCC/C=C/COc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 27992820 SUDSSIJBZOKIID-PXPVJAHISA-N 421.457 3.700 0 1 HHAF COc1ccc2[nH]c([S@@](=O)Cc3nc4cc(OC)ccc4n4cccc34)nc2c1 28638912 YEVIYWMKRBWPAL-GDLZYMKVSA-N 406.467 3.689 0 1 HHAF Cc1cc2c(c(CCC(=O)O)c1C)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 28770232 QNMQRBGHXSMKCH-QGZVFWFLSA-N 421.946 3.810 0 1 HHAF Nc1nn(-c2cccc(-c3ccc4nc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O 45365000 YLTMVGRORXEDOS-UHFFFAOYSA-N 420.476 3.951 0 1 HHAF Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+](=O)c2cc(Cl)ccc2n1O 64415731 JGQTUVIGFYMOGF-UHFFFAOYSA-O 412.775 3.704 0 1 HHAF COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)[C@@H](COC(C)=O)C2 72107142 VSADHHSLTBMUGH-OLZZKDKNSA-N 416.470 3.627 0 1 HHAF COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O 95559718 KMFDXNUGIFDFHQ-LJQANCHMSA-N 411.933 3.752 0 1 HHAF O=C(c1cccnc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95877337 RCAQIFAZPLCEIE-PMOQBDJRSA-N 403.457 3.878 0 1 HHAF CN(C)c1ccc(-c2nc3ccc(OCCOCCOCC[18F])cc3s2)cn1 103070833 GOMBAQRSDRXFRW-GJQNQZCXSA-N 404.498 3.806 0 1 HHAF C1=N\CCNCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 104322042 IOMPXSOWTIMPGG-UKNVNEPJSA-N 414.509 3.681 0 1 HHAF CC1(C)c2cc(OC[C@H](O)CO)ccc2C(=O)c2c1[nH]c1c(C3CC3)c(C#N)ccc21 114803148 FETAVFAZJZTJNN-OAHLLOKOSA-N 416.477 3.519 0 1 HHAF CC[C@@H](CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12 118738946 FDVQDUNWVMTCAQ-LBPRGKRZSA-N 404.467 3.785 0 1 HHAF CC(C)C(=O)N(C)c1cc(C(=O)NCc2cnccn2)cc(-c2ccc(Cl)cn2)c1 142662003 UTUSWQWBVRKTRE-UHFFFAOYSA-N 423.904 3.741 0 1 HHAF CC(C)[C@@H]1[C@H](OC(=O)/C=C/c2ccccc2)C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O 238756291 QFWCWMZSCXWBAK-GYHDCNHNSA-N 400.515 3.744 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cnc2[nH]1 586936425 MPOOHTSJSVXIOG-HNNXBMFYSA-N 404.561 3.656 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)cnc4[nH]3)CC2)cc1 586954664 HCDXOWCWSJXRJU-UHFFFAOYSA-N 424.448 3.853 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc3ncccc3c2[nH]1 587129172 UTPRJBLNRASCJY-UHFFFAOYSA-N 412.375 3.535 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(Cn3cc(-c4ccc(F)cc4)cn3)nc-2[nH]1 587165039 KFHHYKSVEAPGLR-UHFFFAOYSA-N 415.432 3.673 0 1 HHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587241666 GTZHQLZQMMVKCU-UHFFFAOYSA-N 405.432 3.529 0 1 HHAF COC(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417445 KONUDXUIRCPIPR-FOIQADDNSA-N 417.255 3.664 0 1 HHAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427262 RKSNWNQDOUEQEE-OYHNWAKOSA-N 400.402 3.741 0 1 HHAF CCOC(=O)[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566972 CQQOGLIPGDXWJT-CVDCTZTESA-N 408.381 3.952 0 1 HHAF COc1cc(C(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587595281 QWOIYUNUPQJAFU-KNQAVFIVSA-N 422.389 3.811 0 1 HHAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 587608032 IWRPIZITLAVKGR-YKSBVNFPSA-N 416.385 3.919 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3c[nH]c(C(N)=O)c3)c(-c3ccc(Cl)cc3)c2c1 587649311 PLHHZDJBNZBNDM-UHFFFAOYSA-N 413.886 3.986 0 1 HHAF CCn1nccc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587759413 KUUYJXGEPBZVFE-RHYDYQQPSA-N 407.331 3.658 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)NCCc2c(OC)ccc(Cl)c21 963257564 KSOQJJCAVMHJPT-NRFANRHFSA-N 405.853 3.665 0 1 HHAF O=C(NCc1ccc(CNCc2ccccc2)cc1)c1csc2ncnc(O)c12 1857615121 YWZMXLOFPKXASQ-UHFFFAOYSA-N 404.495 3.617 0 1 HHAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)C(C)(C)C)C4)c3c2)cn1 1857755850 QTUNKAAWQJVGKH-KRWDZBQOSA-N 405.502 3.759 0 1 HHAF C[C@H]1CC[C@@H]2[C@@H]3[C@](C)(C=C4[C@H](C)C[C@H](O)[C@@]412)CC[C@]3(C)C[C@H](O)C(=O)C(C)(C)O 2356484798 IDMQOGKKDALVSS-DZMOWKROSA-N 404.591 3.873 0 1 HHAF CC1=C2CC[C@@]3(C)[C@H]4[C@H](CC[C@]23CN1C)[C@@]1(C)CC[C@H](N(C)C)[C@@H](C)[C@]1(O)C[C@H]4O 2356563464 FKTUIAROLJADNJ-KPPMTVRKSA-N 416.650 3.881 0 1 HHAF Cn1c(=O)c2cc(NC(=O)NCCc3ccccc3)ccc2n1Cc1ccccc1 61930250 VQLQRFMTJKYOOD-UHFFFAOYSA-N 400.482 3.753 0 3 HHAF NC(=O)c1cccc(-c2ccc3c(c2)N(Cc2cc(F)cc(F)c2)C(=O)COC3)c1 205215235 XSIOLUYYZMCHTF-UHFFFAOYSA-N 408.404 3.794 0 3 HHAF CC(=O)Nc1cccc(NC(=O)C[C@@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)c1 205229794 XLVQUYSTZYYNQL-FQEVSTJZSA-N 400.866 3.667 0 3 HHAF COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)c1OC 767488 RZFGUUQDDWJGPM-OFNKIYASSA-N 420.465 3.748 0 1 HHAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCCN2CCCC2=O)cc1 2480525 LNAHVCSYKXRWRG-UHFFFAOYSA-N 419.481 3.760 0 1 HHAF CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H]2N1C(=O)[C@@]2(C)OCc1ccccc1 5733224 DWEHYYMYUHOBEE-IMSXRSKXSA-N 408.498 3.807 0 1 HHAF CN1[C@@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 13660700 KTVAFYJJTHCQRJ-FDOKIQAASA-N 405.285 3.628 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2Cl)CC1 13813904 SYARMMVDNAVUNT-UHFFFAOYSA-N 424.328 3.563 0 1 HHAF CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2nc3ccccc3n2C)c1 26185437 GPULKYJMYQMVLG-NRFANRHFSA-N 410.518 3.579 0 1 HHAF O=C(Cc1cccs1)N[C@@H]1CCN2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2C1 33910523 VMGQGQGWTGWVQO-OXQOHEQNSA-N 419.506 3.560 0 1 HHAF biogenic COC(=O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@H]1O 34105007 CXIXHKABKDGPQF-VWAJJWHNSA-N 406.519 3.747 0 1 HHAF COc1ccc(/C=C2\C[C@@](CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1 40394530 ZOIJWFUAAKGRFV-XFWAWQDHSA-N 410.466 3.539 0 1 HHAF O=C(O)c1cccc(-c2nnc(C[C@H](O)Cc3ccc(-c4ccccc4)cc3)o2)n1 40877598 ZRRANVOFLZLGRM-GOSISDBHSA-N 401.422 3.643 0 1 HHAF Cn1cc(C2=C(N(C(=O)OC(C)(C)C)c3ccccc3)C(=O)NC2=O)c2ccccc21 49033795 RJHJYHYELNBUNB-UHFFFAOYSA-N 417.465 3.988 0 1 HHAF COc1ccc(-c2nc3c(C(=O)Nc4cnc(Cl)cn4)cccc3[nH]2)cc1OC 71329841 PPLGADWKSHVVEB-UHFFFAOYSA-N 409.833 3.943 0 1 HHAF CC1(C)CN(Cc2cccnc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 72142234 GEMYMCYBBZHXRV-KRWDZBQOSA-N 416.319 3.858 0 1 HHAF COc1cc2nc(NCc3ccc(Cl)cc3)nc(NC[C@H](C)O)c2cc1OC 82129832 JSPHXTQOXQTYFD-LBPRGKRZSA-N 402.882 3.705 0 1 HHAF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2c(c1)OCCO2 95588659 QVJUNMIQQVVAII-QGZVFWFLSA-N 401.260 3.918 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 100043779 WHOYCZAZHQFDDJ-JXHRLWIKSA-N 401.572 3.564 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 115456401 BOBBODBDAKNASJ-IYBDPMFKSA-N 417.941 3.746 0 1 HHAF COc1ccc(-c2cn3ccnc(NS(=O)(=O)c4ccc(C)cc4)c3n2)cc1OC 206586801 VKLLMDLCWOEMQF-UHFFFAOYSA-N 424.482 3.523 0 1 HHAF CCOC(=O)C1=C(Nc2cccc(C)c2)C(=O)N(c2cccc(C)c2)[C@H]1C(=O)OCC 299827983 PQGSGMZTEMGTKQ-OAQYLSRUSA-N 422.481 3.511 0 1 HHAF O=C(/C=C/c1ccc(F)cc1)N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 299862937 KIMMCDBSXWATMB-PZHIKSBQSA-N 420.415 3.957 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)OC)cc3[nH]2)cc1 587041076 VPAAIMRJFWGALR-GOSISDBHSA-N 411.483 3.636 0 1 HHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587076718 ZYYCYDDQQNOQBI-UHFFFAOYSA-N 415.906 3.628 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(/C=C/C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423545 VJTGCANJKQVFGF-VIDWZSSDSA-N 410.809 3.909 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(=O)O)c1OC 587591147 FYTHJZCGSCFGPC-RXVVDRJESA-N 422.389 3.811 0 1 HHAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1F 653778433 FBEHMXAMJFAZAR-MRXNPFEDSA-N 412.486 3.761 0 1 HHAF COc1ccc2c(c1OC)[C@](CC1OCCO1)(c1ccc(F)cc1F)N(C)[C@H](C)C2 962625437 FCHNOYOWQFUIOC-FATZIPQQSA-N 419.468 3.865 0 1 HHAF COc1ccc([C@]2(C[C@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962625543 FFIWNGCWXUWLSF-VMPBMTGNSA-N 413.514 3.943 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038665 ZRYBHISMKDRQJW-GIPMBTJOSA-N 418.537 3.799 0 1 HHAF CCCC[C@H](CC)CNC(=O)C[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224147 IEXKWPGUHKHEQO-FBOFTVOISA-N 411.546 3.772 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CC[C@@H](C(=O)NC4CCCCC4)C3)c2)c1 1772633894 AMVMXOVWZWTOSU-HXUWFJFHSA-N 420.557 3.913 0 1 HHAF Nc1nc(-c2cccc(OCc3ccccc3)c2)cn2c(=O)n(-c3ccccc3)nc12 1772633913 NIPHRKILHOHGBM-UHFFFAOYSA-N 409.449 3.708 0 1 HHAF CS(=O)(=O)C1CCN(c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cn2)CC1 1772653537 BQNYODPCPBALFZ-UHFFFAOYSA-N 424.448 3.657 0 1 HHAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356287062 XXFDQBUGIIUMOS-IPMKNSEASA-N 411.546 3.951 0 1 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 13660663 FRAXAVQCOUNARD-VOQZNFBZSA-N 400.482 3.782 0 3 HHAF CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 36378260 KTVAFYJJTHCQRJ-PZDALLCQSA-N 405.285 3.628 0 3 HHAF Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3C)n[nH]2)cc1NS(C)(=O)=O 61904118 KOVXRNFGKUPQQW-UHFFFAOYSA-N 418.906 3.971 0 3 HHAF Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)CC1 766697 QXNLIJNPPOYCQU-UHFFFAOYSA-N 411.509 3.929 0 1 HHAF Cc1ccc(CNC(=O)c2ccc3c(O)nc4c(-c5ccccc5)nnn4c3c2)cc1 2713357 RJMDZYRMIIFHMG-UHFFFAOYSA-N 409.449 3.889 0 1 HHAF Cc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)c1 3831833 GHCFFSHLCKHAEO-UHFFFAOYSA-N 412.493 3.918 0 1 HHAF COc1cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1 13916739 OBEJFOHWQWJNIL-NRFANRHFSA-N 405.454 3.796 0 1 HHAF CCCc1c(OCCCC(=O)Nc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28395475 TXGCIGVSBOZDKL-UHFFFAOYSA-N 423.473 3.525 0 1 HHAF O=S(=O)(c1ccccc1Br)n1cc(C[C@@H]2CCCN2)c2ccccc21 28524026 OVNCMVIGNHYPGL-HNNXBMFYSA-N 419.344 3.935 0 1 HHAF O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1ccc(-n2ccccc2=O)cc1 29047262 XFGNVZFEBQWURZ-UHFFFAOYSA-N 410.433 3.737 0 1 HHAF Oc1ccc2c3c1O[C@H]1C(c4ccccc4)=CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 29417030 KUOJGXGKZKOYKG-CBRSEMLDSA-N 401.506 3.650 0 1 HHAF COc1cc2ncn(-c3cc(OCC4CCCC4)c(C(N)=O)s3)c2cc1OC 40898999 VRMPQRSIIRANNY-UHFFFAOYSA-N 401.488 3.772 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CC(=O)O)C4)no2)cc1C#N 43206640 PMSAGBCEJZBAAC-UHFFFAOYSA-N 418.453 3.505 0 1 HHAF CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OCCCCC(=O)OC 45201218 KGLLRFIJKNZIRS-UHFFFAOYSA-N 414.550 3.859 0 1 HHAF COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)cc1 49073362 IVQGRFKSMODDOI-NRFANRHFSA-N 405.450 3.640 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCCCC2)cs1 82073251 BTVKIOBVJPVPOX-GOSISDBHSA-N 413.543 3.826 0 1 HHAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3cccc(C)c3)n2)CC1 82173269 RJVALTQFRNFYFC-UHFFFAOYSA-N 407.543 3.861 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95873221 LSOIOBVNZPBSCS-HJOGWXRNSA-N 408.517 3.654 0 1 HHAF COc1ccc(-c2nn(C(=O)NC3CCCCC3)c(=O)n2-c2ccc(C)cc2)cc1 103262299 CITYMLNAFHCPNA-UHFFFAOYSA-N 406.486 3.908 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 118921451 GFKPZXCORVBYSW-LTHZOOPKSA-N 420.590 3.745 0 1 HHAF O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(Cl)ccc2c1N1CCOCC1 201536723 XOUXKFNOXVXSOA-UHFFFAOYSA-N 424.856 3.836 0 1 HHAF CCN(CC)CCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)ccc2c1=O 221261675 MTNUJXDQUOCGPK-UHFFFAOYSA-N 411.933 3.775 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587041793 GGURJWTWZGCKRD-LLVKDONJSA-N 412.309 3.644 0 1 HHAF O=C1C[C@H](c2nc3cc(Br)ncc3[nH]2)CN1Cc1ccc(F)cc1F 587148647 JIOYHGSKMWZPGS-JTQLQIEISA-N 407.218 3.515 0 1 HHAF O=C(N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202564 JSDFJQAYPQIDNX-HNNXBMFYSA-N 407.348 3.504 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587351178 YYOXJMSGUMUBKI-NFBKMPQASA-N 401.397 3.952 0 1 HHAF COCOc1ccc([C@@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435446 GIPULWHFJNOBIT-NTKDMRAZSA-N 403.434 3.764 0 1 HHAF Cn1cc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 587609134 BQUMNHOSGPOICO-FXAWDEMLSA-N 405.435 3.952 0 1 HHAF Cc1c(O)ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1O 587657103 VAOUDVINYWYJDQ-UHFFFAOYSA-N 408.360 3.750 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587696417 KHQHDDWNFCPHRC-DYBLOJMWSA-N 409.686 3.996 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587720491 RVQLJRMAIJAYKM-XYZCENFISA-N 416.287 3.754 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 587828773 PQFLRIZDSWJSAO-WLRWDXFRSA-N 406.251 3.675 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587858860 UXIHEEWMFUKQRO-ANTHHZPCSA-N 402.329 3.634 0 1 HHAF Nc1c(-c2nnc(S)n2-c2ccc(Cl)cc2)nnn1Cc1ccccc1Cl 957883988 FRQSRSCMURBJHF-UHFFFAOYSA-N 418.313 3.752 0 1 HHAF COc1ccc(OCC(=O)NC2CCCC2)c([C@@H]2NCCc3cc(C)c(F)cc32)c1 962090932 JPOCNQGALAEQAL-XMMPIXPASA-N 412.505 3.815 0 1 HHAF O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc(-c2cn[nH]c2)c(C(F)(F)F)c1 1772612695 CBEMNKANJPWQCN-MRXNPFEDSA-N 411.330 3.837 0 1 HHAF Cc1ccccc1-c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OCC(C)C)cc1 1772612741 SSCMGVJWFWWDLI-QFIPXVFZSA-N 405.498 3.856 0 1 HHAF CCN(c1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)S(=O)(=O)c1ccc(C)cc1 1857629938 YMLPTTWXICGIMG-MRXNPFEDSA-N 413.543 3.544 0 1 HHAF O=C(/C=C/c1ccc(Cl)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857643205 KTFRVDGCPYEZNY-BJMVGYQFSA-N 407.901 3.951 0 1 HHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@@H](O)C[C@H]2[C@@H](C)N(C)C)C1 2356474483 TVQRVUWWMQFWHA-YNCQVOQXSA-N 402.623 3.991 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4050139 QTPUUATVWKPITC-HDAAZOAOSA-N 416.880 3.991 0 1 HHAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ncccc2-c2nnn[nH]2)cc1 13560843 FNZWHLOBAMJQLV-UHFFFAOYSA-N 410.485 3.901 0 1 HHAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CSc1cccs1 13805741 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Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccc(F)cc54)ccc31)[C@@H]1CC[C@H](C2)N1 96175174 LJWJHWJGSWSNNT-QAPCUYQASA-N 409.486 3.858 0 1 HHAF Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOCC3)CC2)ncc1Cl 146770546 WIAGYIIRVTVVAJ-UHFFFAOYSA-N 414.937 3.617 0 1 HHAF c1ccc2oc([C@H]3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)nc2c1 205113566 DZQQUXBZHLGRGH-KRWDZBQOSA-N 415.497 3.992 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCC[C@@H](N)C1)C(=O)N2 219396273 RKPWYUDCZHEUBU-NTKDMRAZSA-N 402.498 3.577 0 1 HHAF COc1cc(CO)cc(OC)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 219435392 HZWWMBPSBWSSBN-MRXNPFEDSA-N 401.390 3.597 0 1 HHAF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)N3CCOCC3)[nH]c2c1 299859210 FLZPRXZSVDTGNR-UHFFFAOYSA-N 400.862 3.978 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2cccc(O)c2)cc1 299860402 GPJAJRBERGQWNQ-FYYLOGMGSA-N 419.506 3.568 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 586962267 WEYFAWGGLBHXND-RCBQFDQVSA-N 417.922 3.652 0 1 HHAF Cc1nn(Cc2nc3ccc(Br)c(O)c3[nH]2)c(C)c1Br 586978744 FLPBGWWIAQUPKA-UHFFFAOYSA-N 400.074 3.655 0 1 HHAF COc1cc2c3c(c1)OC(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587439186 KIKXFHUXIDBINU-HNNXBMFYSA-N 418.486 3.645 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O 587484005 HHTBPXJGYPXTSC-IBGZPJMESA-N 409.891 3.526 0 1 HHAF C[C@@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551787 JPFPLNBRNXXKSF-ACJLOTCBSA-N 406.225 3.711 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599859 IGHXHFWSRPQYIT-QPPBQGQZSA-N 420.417 3.821 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587727405 CHIYKORRDVBXKG-ZRNGKTOUSA-N 422.225 3.866 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)n2ncnc2N1C 587796836 QTBWENIUWIXVCR-MAZUYXTBSA-N 420.330 3.914 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1[C@@](C)(Cc1ccc(O)c(OC)c1)C(=O)O 587871881 OYCJVMBCELEOTR-QFIPXVFZSA-N 414.433 3.845 0 1 HHAF CCn1c(=O)cc(N2CCOCC2)c2cc(N3C(=O)CC[C@H]3c3ccccc3)ccc21 1857607837 IVCYFYCYOZSUSX-NRFANRHFSA-N 417.509 3.726 0 1 HHAF CCC[C@@H](O)C[C@H](O)CC(=O)CCc1ccc(O)c(OCn2cc3cc[nH]c3c2)c1 2356359590 NZVYQXWYPUMYQY-QUCCMNQESA-N 414.502 3.515 0 1 HHAF COc1cc([C@@H]2Oc3cc(O)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)ccc1O 2356502031 USMHVDBYUBRDAM-YKSBVNFPSA-N 406.434 3.615 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356620813 FPTHFNAIWCRDNZ-IYPUAYAFSA-N 420.590 3.910 0 1 HHAF CC1=C[C@H](c2cc(O)cc(OS(=O)(=O)O)c2)[C@@H]2[C@H](C)CN=C3C[C@H](C)C[C@@H]1[C@H]32 2356800565 QCLDAHVVVNMYLA-GBKBLASDSA-N 405.516 3.987 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NCc1ccccc1 2356866393 WPAHMEUHQURAGX-NCXUSEDFSA-N 422.403 3.579 0 1 HHAF COc1cc(OC)c([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)cc1OC 250278854 GZYHJZYTQGNFEL-JXFKEZNVSA-N 402.878 3.876 0 3 HHAF COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc3c2=O)cc1 13487292 JUAOPFSWLCBKJS-UHFFFAOYSA-N 407.447 3.783 0 1 HHAF O=C(Nc1ccc(Cl)cc1)OCCN1CCN(Cc2ccccc2)CCC1=O 13814140 FPAYXPBQSUINKF-UHFFFAOYSA-N 401.894 3.623 0 1 HHAF FC(F)(F)c1cccc(N2CCN(CCCCN3C[C@@H]4CCCCN4C3)CC2)c1 19332340 FNHAUTZZAKUROD-NRFANRHFSA-N 410.528 3.735 0 1 HHAF CCN(CC)C(=O)c1ccc([C@@H](c2ccc3cccnc3c2)N2CCNCC2)cc1 22939835 BAFDHSPBWFCCGG-DEOSSOPVSA-N 402.542 3.711 0 1 HHAF CN(c1ccccc1)S(=O)(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28571730 HSUZJVHYLRSSQM-UHFFFAOYSA-N 413.339 3.824 0 1 HHAF COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(c2ccccc2)CN3)cc1OC 36380775 ZXWOFRZNOXWCAN-UHFFFAOYSA-N 424.526 3.555 0 1 HHAF CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82208955 ZLXOMXSQYCQVQJ-LJQANCHMSA-N 416.481 3.793 0 1 HHAF O=C1C[C@@H](c2ccccc2Cl)C(=O)N1CN1CCN(c2ccccc2Cl)CC1 96938047 QWLHXDIPPZLMSB-INIZCTEOSA-N 418.324 3.616 0 1 HHAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccc(C)cc4)C[C@H]3C2)n1 116826367 FOQWGXBQBIJWCV-BGYRXZFFSA-N 414.509 3.669 0 1 HHAF C[C@H]1[C@@H](C)NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 117691670 JUHDVODXPWTTBZ-CVEARBPZSA-N 413.481 3.831 0 1 HHAF CCn1c(C)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 139744432 KRTPZNHXSCQQCQ-SFHVURJKSA-N 404.923 3.522 0 1 HHAF CC(=O)O[C@H]1C[C@H]2[C@@H](CN(C)C)C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)CC[C@@H]1C(C)=O 238737657 SDLMMRKLTDNPHW-HUDBZKLUSA-N 419.562 3.699 0 1 HHAF CC1(C)[C@H]2CC[C@@H](COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@@H]1C2 261152302 PFDGMDBCUUBXKJ-GVXVVHGQSA-N 403.903 3.620 0 1 HHAF CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C 299806528 WQFIZWCFRFXCPS-NBYUQASBSA-N 402.563 3.907 0 1 HHAF O=C(c1ccc(F)cc1)C1CCN([C@H]2Cc3c(cccc3OCCF)C[C@@H]2O)CC1 473082446 HPFMDGHQRJOFBK-VXKWHMMOSA-N 415.480 3.597 0 1 HHAF C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1F 473096891 BEOVYTUZTURCQK-LLVKDONJSA-N 405.355 3.715 0 1 HHAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586925045 FBTBUHSEOIBSSV-UHFFFAOYSA-N 414.380 3.940 0 1 HHAF COc1cccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 586937623 RBAKSSCFUMADDE-INIZCTEOSA-N 419.572 3.961 0 1 HHAF Sc1nnc(SCc2nc3ccc(I)cc3[nH]2)s1 587025448 MGJLFPJROAOHGH-UHFFFAOYSA-N 406.299 3.600 0 1 HHAF CC[C@H](c1nc2cc(OC)c(C)cc2[nH]1)n1cc(I)c(C)n1 587185791 XPTBWPJJJKKIII-CQSZACIVSA-N 410.259 3.989 0 1 HHAF Cc1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 587186647 MXJNTIQKGRUSDL-UHFFFAOYSA-N 415.032 3.695 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)O2 587390077 NQBWUKXCPIOMQX-AGNVLNNYSA-N 415.534 3.804 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1Cc3ccccc3N[C@H]12 587586444 CGCDGQAETGNJPT-ZTCOLXNVSA-N 400.434 3.750 0 1 HHAF CCNC(=O)Nc1cc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CC2)C3)ccc1C 1772602112 DOPIJPGBCRWPOV-UHFFFAOYSA-N 423.513 3.943 0 1 HHAF Cc1ccc(F)c(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)c1 1857577569 LASRAQPZEMLLGB-UHFFFAOYSA-N 415.472 3.950 0 1 HHAF COc1cccc(-c2nc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cn3n2)c1 1857581088 KJQXFZLHDSRRBQ-UHFFFAOYSA-N 403.398 3.778 0 1 HHAF C[C@]1(O)CCN(Cc2cccnc2)[C@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356627443 JBQLPKQWJJFMQT-XPNTWCBSSA-N 407.539 3.640 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)OC)[C@H]21 2356765248 GHMNDPOMCUTYGM-ATTLAAQZSA-N 424.578 3.638 0 1 HHAF C[C@]12CC[C@@H](OC(=O)Nc3cccc(F)c3)[C@](C)(CO)[C@H]1CC[C@@H]1OC(=O)C[C@H]12 2356816919 DFKIWXJNPPNXOP-QZFITCGQSA-N 405.466 3.883 0 1 HHAF Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 1372779 SSRICNPINMNFTA-UHFFFAOYSA-N 418.482 3.601 0 3 HHAF Cc1cc(C)cc(SCc2noc(C(=O)NCC3CC3)c2C(=O)NCC2CC2)c1 12726227 ZGAUREQJVICSPO-UHFFFAOYSA-N 413.543 3.863 0 3 HHAF CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO 13657335 HUZPSPDFNXNSDH-HYFFOGBASA-N 401.528 3.929 0 3 HHAF Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(F)ccc3F)c(C)o2)cc1 15944294 MVFFKXXLJDIMCL-UHFFFAOYSA-N 420.437 3.790 0 3 HHAF Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC3CCN(CCC(C)C)CC3)c2)on1 7005379 QTIPEOWXRBBWQO-UHFFFAOYSA-N 419.591 3.995 0 1 HHAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)c1cccc2ccccc12 13446687 QMCHWKBTCHDOPW-QHCPKHFHSA-N 411.461 3.736 0 1 HHAF Cc1cc2c(c(C)c1CCO)C(=O)[C@H]([C@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 14594732 XRQNPZAVERMVOM-RLWLMLJZSA-N 404.506 3.945 0 1 HHAF biogenic CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@@H]3CC[C@@]21C 26186231 HKMYJCGBZHDCCU-OEVSOZFUSA-N 420.619 3.789 0 1 HHAF O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)c(Cl)ccc21 28523367 NPQVMTFUOLJIOP-UHFFFAOYSA-N 410.326 3.595 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(CCO)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410533 VOCNVBNHMPOAMF-UJVATRKESA-N 418.622 3.697 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1[nH]c(CC)nc1Cl 38268491 UMPXFZOBQJEXEV-OAHLLOKOSA-N 409.914 3.765 0 1 HHAF CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 49054576 MBHKGHDNJWASRA-QKNQBKEWSA-N 424.589 3.545 0 1 HHAF O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)[C@@H](CO)N12 95668741 BQMHFLZDQZXGCU-MZKUHISZSA-N 416.496 3.664 0 1 HHAF COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(O)OCC1=N2 101499149 VRIJQPGCEHQVGR-IBGZPJMESA-N 413.426 3.747 0 1 HHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(NC(C)=O)nc1C3 103289987 XIASVULWTMGARE-XZDHIHRUSA-N 423.582 3.803 0 1 HHAF COC1CCC2(CC1)Cc1ccc(Oc3ccccc3)cc1[C@]21N=C(N)N(C)C1=O 140743088 DVSMPRORXNHICB-FSEIRDBJSA-N 405.498 3.592 0 1 HHAF Cc1nc2cccnc2n2c(-c3cc(OC4CCC(O)CC4)ccc3Cl)nnc12 145718743 XJIQUWOTLMMHGR-UHFFFAOYSA-N 409.877 3.984 0 1 HHAF O=C(Nc1ccc(Br)cc1)C1CCC(S(=O)(=O)c2cccnc2)CC1 169701484 SMWAJTBYOWXHQV-UHFFFAOYSA-N 423.332 3.815 0 1 HHAF Cc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 586951165 JUWGQGTULKRHAL-UHFFFAOYSA-N 406.305 3.742 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cnc2[nH]1 586971903 APGOIUKYOYNFCW-OAHLLOKOSA-N 405.321 3.831 0 1 HHAF NC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024530 BEZIAGWNDWDRAN-JVPBZIDWSA-N 408.527 3.798 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C[C@@H]1CCCO1 587197147 KFKPCOVOWRFLRL-NSHDSACASA-N 400.401 3.893 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N1CCOCC1)O2 587377148 LJUCLCPSZFESJL-GOSISDBHSA-N 417.303 3.883 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1OCC(=O)O)CC2=O 587476305 BDKOFKHZOAERBQ-LJQANCHMSA-N 400.427 3.913 0 1 HHAF C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619790 ZHAZHAURYSQOOD-MZLICYQSSA-N 402.402 3.894 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnn(C)c2)(C(F)(F)F)N1 587708165 ZNTMFCWNPMOLAU-PSLIRLAXSA-N 406.221 3.856 0 1 HHAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587722810 SYWKVKGVMPNZLN-WNWIJWBNSA-N 402.258 3.981 0 1 HHAF COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811932 XXUNEZBHBNEVAL-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF COc1ccc(-c2cc3n(CC(=O)c4cccs4)c4c(c(=O)n3n2)CCC4)cc1 958026597 UXFJDBIPRNXADE-UHFFFAOYSA-N 405.479 3.605 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C3CCN(CC3)[C@@H]1Cc1cccnc1)N(C)[C@@H](C)C2 962564685 HHEMQKDABRTWAD-AJHZIAPWSA-N 407.558 3.507 0 1 HHAF Cc1c(O)ccc2c1[C@]([C@H](C)OCc1ccccc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963547948 CJVUKLVUGREKKF-ZSOFBXJNSA-N 409.404 3.662 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2Cl)cc1 1772604662 OXFZCKIOKCYBKA-FQEVSTJZSA-N 411.889 3.954 0 1 HHAF Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C(C)(C)C 1857580374 XXMPVCYKUFBEQL-UHFFFAOYSA-N 416.595 3.675 0 1 HHAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccnc(O)c1 1857580963 IKSJERXHAFSDMW-UHFFFAOYSA-N 401.470 3.756 0 1 HHAF COc1ccc(C=CC[C@@H](c2ccc(OC)c(OC)c2)[C@H](O)CCO)cc1OC 2356489044 HXCGBYDGJKYLDZ-RBUKOAKNSA-N 402.487 3.651 0 1 HHAF COc1ccccc1CNC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 2356551279 XWHQPOJMJWKSGV-HFMPRLQTSA-N 408.498 3.591 0 1 HHAF O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(COc2c(F)cccc2F)on1 12093090 SDPOLVVMPUXYCJ-UHFFFAOYSA-N 424.407 3.690 0 3 HHAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1cc(OC)ccc1Br 61895847 LVYKZRNHMIRYQV-IBGZPJMESA-N 411.340 3.759 0 3 HHAF COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491946 AYUSRBPKXULFOG-IBGZPJMESA-N 414.477 3.706 0 1 HHAF O=C1NC[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(Cl)cc1 26573370 UPYGNSGQZHVOEJ-CQSZACIVSA-N 415.696 3.558 0 1 HHAF CN1C(=O)N(Cc2nc3ccccc3n2CCCCF)c2ccccc2S1(=O)=O 28824557 DDULIOCLRHKNBJ-UHFFFAOYSA-N 416.478 3.547 0 1 HHAF COc1ccc(C(=O)N(c2cc(C)ccn2)C2CCN(c3cc(N)ccn3)CC2)cc1 40428720 RXSWEDMCSMQRSX-UHFFFAOYSA-N 417.513 3.692 0 1 HHAF Cc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1 45334818 YMHGDVJMGNXBIG-UHFFFAOYSA-N 413.485 3.613 0 1 HHAF O=C(Nc1ccccc1)c1cn(Cc2c(F)cccc2F)c2ccc(O)nc2c1=O 73196319 ZXLBVDAFXMZACQ-UHFFFAOYSA-N 407.376 3.681 0 1 HHAF COc1cc(C)c2cc1C(=O)NCCCOc1cccc(c1)Sc1cc-2nc(N)n1 73224243 ZEZZQOYWCJVUGQ-UHFFFAOYSA-N 422.510 3.706 0 1 HHAF COc1ccccc1CCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82141474 RUQIWYWPCFCNBB-UHFFFAOYSA-N 420.488 3.864 0 1 HHAF CC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 141931844 QBUCDVXYGKJTON-DNVCBOLYSA-N 407.470 3.608 0 1 HHAF COc1ccc(F)cc1S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1 142345149 VFJJEOUJAUJCQO-NYYWCZLTSA-N 412.442 3.714 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)nc1 143506731 QCRCCLQMANACRB-QGZVFWFLSA-N 417.513 3.957 0 1 HHAF O=C1NCc2cccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)c21 169322415 VTRKZRGHFWCLOY-UHFFFAOYSA-N 401.470 3.649 0 1 HHAF Cc1cc(C)c(CC[PH](O)(O)CC(=O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 169728584 HCKARQVWOXDVOT-UHFFFAOYSA-N 408.406 3.569 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CN[C@@H]2CCc3ccccc32)cc1 199941159 BGBSOGLLWQBIAY-OAQYLSRUSA-N 410.543 3.615 0 1 HHAF Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1 204640691 DBGVUJWUDNGOBJ-JOCHJYFZSA-N 401.474 3.615 0 1 HHAF C[C@@H](c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(S(C)(=O)=O)C2 204907925 ZGVULUIJOKITAC-AWEZNQCLSA-N 417.481 3.755 0 1 HHAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C(F)F)c(=O)c2)nc1 209427236 PCIIZLAXTMWOQO-ZBFHGGJFSA-N 414.412 3.595 0 1 HHAF C[C@H]1c2nnn(-c3cnccn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 218464668 QRERLGWHEDLPCZ-JTQLQIEISA-N 420.782 3.917 0 1 HHAF COc1cccc(F)c1CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261097134 FPBQVWRUEOQHTQ-UHFFFAOYSA-N 406.421 3.798 0 1 HHAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586960462 XNABBTQHXHEXSF-NRFANRHFSA-N 409.467 3.824 0 1 HHAF C[C@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587124289 MODCFFDMBUWFLQ-BJOHPYRUSA-N 416.400 3.740 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587163742 SELSJCWIIKHQFC-UHFFFAOYSA-N 403.479 3.548 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239535 LBQBGNXMSNMDBS-YLEKAMJDSA-N 415.534 3.653 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587532917 QEUMRMULNLPWEO-RXYZOABWSA-N 404.528 3.984 0 1 HHAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569069 FALBDDUBRILPMY-YFMCZXFPSA-N 405.450 3.866 0 1 HHAF Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587709210 JLNUSFJFPKRVSX-ANRSDYALSA-N 406.221 3.970 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760423 YRYOJDDERIXUHB-LIRVVVLZSA-N 421.358 3.792 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793805 LEZWGKFTVZRVGS-DGIBIBHMSA-N 423.282 3.941 0 1 HHAF Cc1ccnc2c1CCN[C@@]2(c1ccccc1CN1CCC2(CC1)OCCO2)C1CC1 963067353 JOHSXWKEONZIAT-AREMUKBSSA-N 419.569 3.528 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)C1=O 1857768559 NCNMIWQQQUCYJF-UHFFFAOYSA-N 403.504 3.538 0 1 HHAF C[C@H](O)C=C[C@](C)(O)[C@@H]1CC[C@@H]2C=C([C@@H]3CC[C@@H]4C(=O)C[C@@H](O)CC=C43)C[C@]21C 2356725354 MCYUJBHXAJEPHI-FEMYMPAJSA-N 400.559 3.713 0 1 HHAF COc1ccc2nc(N3C(=O)C(c4c(O)[nH]c5ccccc45)=NC3=S)sc2c1 5996346 BQCLRUKYDJSGRQ-UHFFFAOYSA-N 408.464 3.613 0 1 HHAF aggregator COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@H]1c1cccs1 6783200 VVLGBOUDDHICNC-WOJBJXKFSA-N 407.495 3.709 0 1 HHAF O=C(c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)N1CCOCC1 13684480 QNHAITJWPXBVCD-UHFFFAOYSA-N 411.465 3.673 0 1 HHAF CCN(CC)C(=O)c1ccc([C@H](c2ccnc3ccccc23)N2CCNCC2)cc1 22939827 BCKXYAOTMKQPFC-XMMPIXPASA-N 402.542 3.711 0 1 HHAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1C[C@H](O)[C@@H](O)C1 26271737 JHZHLPIBCPQAJX-PMACEKPBSA-N 402.454 3.530 0 1 HHAF CCCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(CCC)n[nH]c2-3)C(=O)O1 28949280 OTMUJXSYNUBJAL-KRWDZBQOSA-N 410.518 3.759 0 1 HHAF COc1ccc2[nH]c([S@@](=O)Cc3nccc(N4CCCCC4)c3Cl)nc2c1 29570990 BWWWXFGSYQGHPZ-HHHXNRCGSA-N 404.923 3.918 0 1 HHAF CC[C@]12CCCN3[C@@H](OC)C[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 34104776 HRQZLEHTMVHBRY-XXBFSGCESA-N 402.922 3.802 0 1 HHAF O=C(C[C@@H]1CCCCN1c1cccc(-n2ccnc2)c1)NCc1ccc2c(c1)OCO2 35271112 YJJUDDTUAPFIMD-NRFANRHFSA-N 418.497 3.666 0 1 HHAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@@H](O)[C@]4(C)[C@@H]5C(=CC[C@@H]4[C@]3(CO)CC[C@H]12)CO[C@H]5O 40576727 PKVICYZLWZIYRA-XHMVMRONSA-N 404.591 3.890 0 1 HHAF Cn1cc([C@H]2CCC(NC(=O)CCc3ccc4cc(O)ccc4c3)=C(C(=O)O)C2)cn1 49048216 KINPGVXSEYCUPV-SFHVURJKSA-N 419.481 3.634 0 1 HHAF CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 64540120 GXYTWWHWQQMHQF-OAQYLSRUSA-N 419.460 3.684 0 1 HHAF FC(F)(F)c1ccc([C@@H](c2cncnc2)N2CCN(c3nccs3)CC2)cc1 72184681 HNHVKIZEBSJYCO-KRWDZBQOSA-N 405.449 3.864 0 1 HHAF COCC(COC)Nc1nc(C)nc2c(-c3cc(Cl)cc(Cl)c3)c(C)nn12 72190079 RHSNHBGJLLYGNA-UHFFFAOYSA-N 410.305 3.788 0 1 HHAF in-vivo COc1cc(CNc2cc(Oc3cccc(NC(C)=O)c3)ncn2)cc(OC)c1OC 82067449 AKEOYQLTDGJQMS-UHFFFAOYSA-N 424.457 3.865 0 1 HHAF O=C(N[C@H](COCc1ccccc1)C(=O)O)c1csc(-c2ccc(Cl)cc2)n1 82085903 XQPOGIQVLSJCBP-MRXNPFEDSA-N 416.886 3.863 0 1 HHAF CCCCNC(=O)c1cnc(N[C@@H](C)CC)nc1-c1cc(OC)c(OC)c(OC)c1 82143505 KIIXQZMGDMYYNF-AWEZNQCLSA-N 416.522 3.910 0 1 HHAF CC1(C)C[C@@H]2C[C@](C)(CN2[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 101076696 VHWDVCXSEPHTLK-QINHECLXSA-N 405.336 3.982 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(c3ccc(F)cc3)C2)n1C 101636076 QLOCSQXNJJSRQH-IIBYNOLFSA-N 413.522 3.673 0 1 HHAF COc1ccc(C(C)(C)C)cc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 116823153 MIUDTRFMDYMLHR-QZTJIDSGSA-N 408.546 3.608 0 1 HHAF CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@H]4CCNC4)C3=O)ccc12 147345833 ARDFDEABQBPUBL-INIZCTEOSA-N 407.543 3.599 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCN)no2)cc1C#N 198843541 FETKSAFOWYPZGC-FQEVSTJZSA-N 403.486 3.598 0 1 HHAF COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc(OC)c1OC 238772895 ONDWGDNAFRAXCN-LATRNWQMSA-N 400.427 3.516 0 1 HHAF CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 261177077 VDZKYCXBCMIQDA-JCNLHEQBSA-N 413.522 3.665 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586980070 HJYGYDMVIHUTCA-UHFFFAOYSA-N 414.712 3.896 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132735 ULEOEZRHUZECBN-CYBMUJFWSA-N 409.433 3.638 0 1 HHAF CS(=O)(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587172510 HKYXQYVYXXEQKO-UHFFFAOYSA-N 415.421 3.561 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587202121 FSXUUOMQKPVGQX-LLVKDONJSA-N 409.229 3.707 0 1 HHAF O=C(O)c1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347459 AXPPBYVBAXIFNQ-XXBNENTESA-N 422.364 3.569 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(/C=C\C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423543 VJTGCANJKQVFGF-UFLFQIPGSA-N 410.809 3.909 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(=O)O)c1OC 587591145 FYTHJZCGSCFGPC-NQIIRXRSSA-N 422.389 3.811 0 1 HHAF COc1cc(C(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587595282 QWOIYUNUPQJAFU-SIKLNZKXSA-N 422.389 3.811 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1 587599027 YKTSHMCOPPKTHL-XUZZJYLKSA-N 403.434 3.932 0 1 HHAF Cc1c(Cl)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C 587654560 UKYBLJAOSBADBK-UHFFFAOYSA-N 414.799 3.726 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)cc2Br)N1 587677756 BFBMDQLSHIQRFO-JKYUHCHBSA-N 403.093 3.708 0 1 HHAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCOCC3)CC2)c1 618012607 SKMSDGOUUSSDHT-UHFFFAOYSA-N 404.558 3.726 0 1 HHAF CC(C)(O)c1ccc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962670368 QLULWFUXOGBSQY-LOSJGSFVSA-N 404.510 3.824 0 1 HHAF Nc1ccc2c(c1)OCCCN2S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 1772593132 MAEZNRUSAASAKD-UHFFFAOYSA-N 411.483 3.779 0 1 HHAF Cc1cc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cnc1O 1772626739 WMUNVIGBWDVHTK-UHFFFAOYSA-N 413.525 3.912 0 1 HHAF COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 1772630780 RRTCFJGKAMKAIY-UHFFFAOYSA-N 423.586 3.795 0 1 HHAF CC(C)[C@@H]1CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1 1857578451 XRBFCCGEZNWCSU-SFHVURJKSA-N 401.942 3.784 0 1 HHAF O=C(N[C@H]1C[C@H](c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccccn1 1911576559 LXDLBFDPJLZORZ-HDJSIYSDSA-N 420.473 3.601 0 1 HHAF CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCc3ccccc3OC)cn12 61897566 PSRZEGDOEDWYIR-UHFFFAOYSA-N 408.502 3.598 0 3 HHAF CCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 95556347 PKWIYWNVKISJMW-IBGZPJMESA-N 409.511 3.589 0 3 HHAF O=C(Nc1cc(CNC2CCCCC2)[nH]n1)Nc1cccc2c1[C@@H]1CCCN1C2=O 12355158 USHHXZCACPUXMF-SFHVURJKSA-N 408.506 3.767 0 1 HHAF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1 14651375 WOUCMRFJGOCFJZ-QFIPXVFZSA-N 409.507 3.628 0 1 HHAF COc1cc([C@@H]2SC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC 27518319 CASMNCAVUPKQRX-NRFANRHFSA-N 415.515 3.734 0 1 HHAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3cc(C)c(C)cc3O2)CC1 27893314 TVGFBKBQTIVUCP-IBGZPJMESA-N 407.514 3.732 0 1 HHAF CCOC(=O)N1CCC(c2ccccc2OC)(S(=O)(=O)c2ccccc2)CC1 28349922 KSLWHCTXLQVVNC-UHFFFAOYSA-N 403.500 3.617 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2ccc(F)c(F)c2)cc1 29132886 NMCQDSHXJSOGAW-UHFFFAOYSA-N 411.452 3.794 0 1 HHAF C[C@@H]1C[C@H](OCc2ccccc2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40915534 LPXGVLHUXSTHPK-BEFAXECRSA-N 414.893 3.881 0 1 HHAF CC(C)NCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181605 XILANZIGJRDZSB-CQSZACIVSA-N 409.374 3.893 0 1 HHAF C[C@@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 73310770 XMDKANBJGSNOCW-QGZVFWFLSA-N 413.282 3.725 0 1 HHAF C[C@@]1(c2cc(CC(=O)c3cnc(-c4ccco4)cn3)ccc2F)CCSC(N)=N1 96172054 ARKTVANJVSEWAP-NRFANRHFSA-N 410.474 3.968 0 1 HHAF CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 142489566 DMXFLQZSXCIUTO-PUZFROQSSA-N 420.619 3.689 0 1 HHAF COc1ccccc1OCCNC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1 473144763 DCZGFTBZOBFUMH-UHFFFAOYSA-N 407.413 3.894 0 1 HHAF CCS(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587225077 VKPGTIMNAAFYHB-OAQYLSRUSA-N 419.506 3.876 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 587238566 DHTFLAHLSBVLDF-UHFFFAOYSA-N 403.236 3.578 0 1 HHAF O=C(O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355560 VICUHGCBKZXZSG-ZJSXRUAMSA-N 420.392 3.830 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)N3CCCCC3)cc1)O2 587393408 IAHREBYFKUKOGG-XMMPIXPASA-N 408.498 3.849 0 1 HHAF CCc1nccn1Cc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587431118 MXWOKICGZOSGMP-HOYKHHGWSA-N 404.466 4.000 0 1 HHAF Cn1ncc(I)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504626 KHFVJJCGPSXAAU-SFHVURJKSA-N 422.266 3.784 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)o1 587599094 ZGRSIBWXKNOXIV-REWPJTCUSA-N 407.422 3.520 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)N2NN=NC2=N1 587799361 YEWATQWIAUVPGR-AATZLJGDSA-N 407.291 3.557 0 1 HHAF COC(=O)[C@@H]1[C@@H]([C@H]2c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)C1(F)F 963300660 GQSDISMFLLJGCU-SLFFLAALSA-N 405.416 3.988 0 1 HHAF [C-]#[N+]c1cncc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)C4(CC4)C(=N)N3)s2)c1 1772629940 QPDBFNARPOLNRB-INIZCTEOSA-N 406.920 3.757 0 1 HHAF CCOC(=O)c1cc(NC(=O)Nc2ccc(F)cc2)n(C[C@H](O)c2ccccc2)n1 1772652792 RHUCNCKDPVLRFN-SFHVURJKSA-N 412.421 3.577 0 1 HHAF Cn1ncc2c(Oc3ccc4c(c3)[nH]c(=Nc3ccccc3Cl)n4C)ncnc21 1857752031 WWOBHWFQTDPSJI-UHFFFAOYSA-N 405.849 3.861 0 1 HHAF CC(C)OC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C 1340064 HPSZSZORSKPTHS-UHFFFAOYSA-N 403.533 3.594 0 3 HHAF Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1 8772711 CXXAAOJUESJZIC-UHFFFAOYSA-N 405.498 3.599 0 3 HHAF COC(=O)CCCC[C@@H]1O[C@H](CCc2ccccc2)Cc2[nH]c(=S)[nH]c(=O)c21 95605652 RNWCVIDHVAUPAM-WBVHZDCISA-N 402.516 3.781 0 3 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC 4153568 CFQIMGCYJGHZIT-RZNKLVQRSA-N 410.514 3.700 0 1 HHAF COc1ccc(-c2nc3cnc(Nc4cccc(OC)c4)nc3n(C3CC3)c2=O)cc1 4239080 CCZNLDVIYVMNNF-UHFFFAOYSA-N 415.453 3.949 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(CCN3CCCC3)C(=O)C[C@@H]12 6482693 COJVDKKMDHCBJS-APDHKMKFSA-N 410.558 3.612 0 1 HHAF O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13589851 GKKJCDQBYJQSQR-BQXQKYNTSA-N 414.461 3.764 0 1 HHAF in-vivo O=C1NC[C@H](c2c[nH]c3ccccc23)N[C@H]1c1c[nH]c2cc(Br)ccc12 15266948 LQTWCUFHWBBBGT-MOPGFXCFSA-N 409.287 3.914 0 1 HHAF biogenic COc1cc2c(cc1OC)[C@@H]([C@@H]1C=C(C)C(=O)O1)N(C(=O)OCc1ccccc1)CC2 26574295 FJZIOALHZMSUGF-VXKWHMMOSA-N 423.465 3.812 0 1 HHAF COc1nc(N)c(Cl)cc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 27412744 FUOUCUSWOTUMGM-ALOPSCKCSA-N 414.937 3.641 0 1 HHAF C[C@H](CC(c1ccccc1)c1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27736329 ZOYCOQVOODGYKD-MZNJEOGPSA-N 404.510 3.725 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(CCN1CCN(c3ccc(F)cc3)CC1)OCC2 27882949 HYXFQEDCPQJFGW-XMMPIXPASA-N 414.521 3.843 0 1 HHAF O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccc(-c3cn[nH]c3)cc2C1 95586414 HGTXSCABVKRXHD-UHFFFAOYSA-N 415.371 3.857 0 1 HHAF COC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)c1 96272124 XMYFQOYPBIYMCP-INIZCTEOSA-N 400.862 3.618 0 1 HHAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 105236901 LWMILGNMQBJDAS-NHCUHLMSSA-N 416.525 3.943 0 1 HHAF C[C@H]1CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)CCN1 142913287 YYOZRZRSLJUTAW-AWEZNQCLSA-N 421.455 3.611 0 1 HHAF CCN(C)c1ccnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709332 RFLAGCZYICHVMD-HNAYVOBHSA-N 400.498 3.532 0 1 HHAF COc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O 209704595 CRRUEYNUXMNJJM-GOSISDBHSA-N 404.466 3.700 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc2c(c1O)C[C@@H](O)[C@H](c1ccc(O)cc1)O2 238776318 ICAKMJOAKYCHRZ-YKSBVNFPSA-N 406.434 3.656 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cnc2[nH]1 586936429 MPOOHTSJSVXIOG-OAHLLOKOSA-N 404.561 3.656 0 1 HHAF COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586962111 USPGBAQHDWHXSU-JLSDUUJJSA-N 412.515 3.661 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccnc3[nH]2)C[C@H](C)O1 586968589 AZGIQMRWFLOPNH-KBPBESRZSA-N 406.515 3.807 0 1 HHAF Fc1ccccc1-c1nnc(SCc2nc3ncc[nH]c-3n2)n1-c1ccccc1 587153693 YYYSVEUTGWLIMQ-UHFFFAOYSA-N 403.446 3.984 0 1 HHAF CC[C@@H](c1nc2ccnc(Cl)c2[nH]1)n1cc(I)c(C)n1 587185877 POOJUBXEAIKWPS-JTQLQIEISA-N 401.639 3.720 0 1 HHAF O=C(N[C@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)O)OCc1ccccc1 587202642 KFRZSKYVGJGJAN-OAHLLOKOSA-N 408.241 3.792 0 1 HHAF Cc1ccnc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587333022 HGEUZXOPNYNJLZ-NFBKMPQASA-N 421.428 3.776 0 1 HHAF COc1ccc(CN2C(=O)C[C@]3(C=C2C)CC(=O)c2cc(C)cc(N)c2O3)cc1OC 587389772 CQVROOKXCZHFJT-DEOSSOPVSA-N 422.481 3.635 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccncc4)c(OC)c1)[C@@H](C2)C3=O 587436963 VDDNDIDOXZWMFN-SBUREZEXSA-N 417.417 3.807 0 1 HHAF COc1cc(C(C)=O)c(OC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587946236 UWJXASHHAHKTHT-UHFFFAOYSA-N 403.435 3.918 0 1 HHAF CC(C)(C)OC(=O)N[C@H](CC(F)F)[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730800 PHCWUYKAHIOIJK-UMVBOHGHSA-N 422.394 3.922 0 1 HHAF Cc1cn(C[C@@H]2CCCN(Cc3ccc(Oc4ccccc4)cc3)C2)c(=O)nc1O 1772649513 WPSOMODVHVALEG-HXUWFJFHSA-N 405.498 3.962 0 1 HHAF CC[C@@H](C)c1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12 1772654763 QJHFEVQVNKHZNS-OAHLLOKOSA-N 408.502 3.895 0 1 HHAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]21C 2356437954 NMCFENXKFAREEU-ITGPFWQLSA-N 420.590 3.912 0 1 HHAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@](C)(CO)[C@H]2[C@@H](O)C[C@@]1(C)O 2356437955 NMCFENXKFAREEU-OOCSGFKSSA-N 420.590 3.912 0 1 HHAF CN[C@]1(C)CC[C@@H]2[C@H]([C@@H]1O)[C@H]([C@]1(C)CC[C@@H](C(C)(C)Cl)O1)CC[C@@]2(C)NC 2356876585 ZMBBXNFPUQYSFZ-WNJFAWKBSA-N 401.035 3.695 0 1 HHAF CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 760349 ZBAZVYZRDUBELH-TZIWHRDSSA-N 414.546 3.942 0 1 HHAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN2CCCC2=O)c1 2483518 LITSHXYKAFTFDX-UHFFFAOYSA-N 413.518 3.780 0 1 HHAF COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2 13588507 KOEMMHBJOHMMBF-UHFFFAOYSA-N 412.530 3.589 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccccc1C 40392112 BPNXVEYIIRHUPM-WOJBJXKFSA-N 419.550 3.946 0 1 HHAF O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1 64548504 CUWJFHAQQALVPC-UHFFFAOYSA-N 422.464 3.799 0 1 HHAF CC[C@H]1CC(O)=C2C1=N[C@@H]1COCC(=O)[C@H]1[C@H]2c1ccc(F)c(Br)c1 101411100 ZUDLMLQKCUFUOJ-CBYWYUQYSA-N 408.267 3.953 0 1 HHAF CCc1cc(C)cc(CC)c1-c1c(OC(=O)OC(C)C)n2n(c1=O)CCOCC2 103274629 VFSBKSFLIFUBGE-UHFFFAOYSA-N 402.491 3.704 0 1 HHAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3[nH]c(C)c(C)c3c2)c1 114079349 HGVKEHICKRVVTE-UHFFFAOYSA-N 402.502 3.554 0 1 HHAF N#Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 115730541 OMEHUFNVMNYKJR-UHFFFAOYSA-N 406.463 3.648 0 1 HHAF COc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1OC 142610075 ILBYCNKRXRGBEE-LFYBBSHMSA-N 424.478 3.584 0 1 HHAF CN(C)C(=O)C1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 143327538 MIWFDAWVIRVXSI-NRFANRHFSA-N 404.432 3.770 0 1 HHAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc3c(ccn3C)c2)C(=O)O1 169353136 YHESSERBDSKRDZ-WKDXJHLXSA-N 413.514 3.999 0 1 HHAF CCCC(=O)O[C@H]1C[C@]23[C@H](O)O[C@@H]4OC(=O)[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)[C@@H]43 197361087 NVGVLPZQLPZQBY-AZAOWKRMSA-N 420.546 3.795 0 1 HHAF CC(=O)Nc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1C(F)(F)F 230568214 FKNQUDXYHMKGIO-UHFFFAOYSA-N 413.363 3.907 0 1 HHAF C[C@@H]1CC[C@@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1CO[C@H](O)C1 238733727 MDPCJYDWRZUJJR-DZWNKGHESA-N 408.535 3.918 0 1 HHAF CNC(=O)c1c(=O)n2c(c3[nH]c4ccc(Cl)cc4c13)C(=O)c1cc(Cl)ccc1-2 238773567 PHLBAPXJQYYLAG-UHFFFAOYSA-N 412.232 3.683 0 1 HHAF O=C(/C=C/c1ccccc1)N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 299869048 TVKCKDGDWWQAQT-DAUDZKOSSA-N 402.425 3.817 0 1 HHAF CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(OC)cc4)c3cc21 473120507 DNZMZYWEAXBBBZ-UHFFFAOYSA-N 422.441 3.633 0 1 HHAF O=c1c(-c2nc3ncnc(Cl)c3[nH]2)cc(Br)cn1Cc1ccccc1 587006364 HLZJNOQIBYBQNR-UHFFFAOYSA-N 416.666 3.646 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 587030826 IYOCTQPBCSKGHM-BNDQCTAISA-N 413.528 3.789 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 587125293 DFNRAVXSGXHKHD-HZGVNTEJSA-N 401.190 3.891 0 1 HHAF O=C(O)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170774 JPEQRUBFOUPQET-UHFFFAOYSA-N 411.414 3.868 0 1 HHAF CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593449 DJQAIXWSLRUUDZ-XUZZJYLKSA-N 420.417 3.908 0 1 HHAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609162 MMSHINPADSKDPU-GBXCKJPGSA-N 416.385 3.919 0 1 HHAF COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2cc(Cl)c(F)cc12 587632992 VCZGMWPWXSIUGR-UHFFFAOYSA-N 406.797 3.715 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(S(C)(=O)=O)c2c1 587650208 PNYKPULQSPFAHG-UHFFFAOYSA-N 417.430 3.661 0 1 HHAF CCOc1ccc(-c2nn(-c3cc(C)ncn3)c(=O)c3ccccc23)cc1OCC 587670345 VHNGAOPBNWWSND-UHFFFAOYSA-N 402.454 3.949 0 1 HHAF CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 587731196 KTHNVKOZLZOJAB-OVWNDWIMSA-N 407.258 3.872 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587759537 UNUYZJLRTROJDV-OVWNDWIMSA-N 424.314 3.674 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnc2n[nH]c(C)c2c1 587863268 FKDRERWHKXHPTG-UHFFFAOYSA-N 401.348 3.846 0 1 HHAF C[C@H](C(=O)O)n1cc(-c2cccc3c2C(=O)c2ccccc2[C@]3(O)C(F)(F)F)cn1 1857541183 WCPRXVWWCVQOSC-BIBXISHDSA-N 416.355 3.538 0 1 HHAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2F)[nH]o1 1857576021 AVISKTSTUQBYGH-UHFFFAOYSA-N 411.397 3.636 0 1 HHAF CCCC[C@H](C)C[C@H](O)C=C[C@H]1[C@H](CCCC[C@@H](CC(=O)O)OC)C(=O)C[C@H]1O 2356687847 CQMVTHTYLSWGRI-LQQQPERYSA-N 412.567 3.736 0 1 HHAF O=C(COCc1ccccc1)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199716163 NESWUSVEWHLUHW-HXUWFJFHSA-N 400.906 3.554 0 3 HHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C 768587 MJASJQRYELTCNX-MMACOIQUSA-N 415.921 3.507 0 1 HHAF C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1)c1ccccn1 28523618 CXGSHCLNGMXFNI-AWEZNQCLSA-N 404.449 3.555 0 1 HHAF O=C(CCSc1nnc(Cn2nnc3ccccc32)o1)Nc1ccc(Cl)cc1 103207060 LAGUZNJBSPSSOY-UHFFFAOYSA-N 414.878 3.637 0 1 HHAF COc1ccc(CN2CC(c3cc(OCc4ccc(F)cc4)ncn3)=C(O)C2=O)cc1 28649623 DMTWRSFZNBEVEV-UHFFFAOYSA-N 421.428 3.515 0 1 HHAF COC(=O)[C@@]1(OC(C)=O)C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100779904 USYOOQFISINJLZ-UNQTUKOBSA-N 406.519 3.959 0 1 HHAF endogenous,in-man Cc1oc(-c2ccccc2)nc1CCCOc1ccc(C[C@H]2OC(=O)NC2=O)cc1 29326405 QRRABPHNKGWEMO-HXUWFJFHSA-N 406.438 3.839 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CCC2)CC1=O 28092981 WGGZGLFJLLBHIR-PTGPVQHPSA-N 411.542 3.522 0 1 HHAF COc1ccc(C2=Nc3ccccc3[C@]2(O)CCN2C(=O)c3ccccc3C2=O)cc1 61936209 GUQLPLWGBYFMOF-RUZDIDTESA-N 412.445 3.704 0 3 HHAF COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)NC(=N)N(C)C2=O)cc1Cl 34661181 NBTCNBCWVKBTIT-JOCHJYFZSA-N 406.873 3.651 0 1 HHAF CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O 36401431 HSDSMAIMLPGKQY-WNSKOXEYSA-N 408.452 3.785 0 1 HHAF O[C@@H]1CO[C@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@@H]1O 13385846 SYACLHGRMBPYAS-HWHRFOGPSA-N 422.868 3.694 0 1 HHAF biogenic C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](C(=O)NCc1ccncc1)[C@@H]2O 40556565 PHCMYYPTUPNLMJ-RYBBFAMKSA-N 406.526 3.547 0 1 HHAF in-vivo Cc1nnc(C2=NO[C@@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)o1 40917979 HCTDQJPYOXUIDO-JOCHJYFZSA-N 403.486 3.566 0 1 HHAF C[C@@H](OC(=O)CCCCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O 45257289 LHPSWJWBZZXTIV-KNQAVFIVSA-N 407.510 3.949 0 1 HHAF Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCCN2CCCC2=O)cc1 82179401 YGJSMVPNOYKRHQ-UHFFFAOYSA-N 404.518 3.637 0 1 HHAF O=C(NN1C(=O)CCS[C@H]1c1ccccc1OCc1ccccc1)c1ccncc1 84635736 VJIBRKNLCGHCDU-QHCPKHFHSA-N 419.506 3.970 0 1 HHAF Cc1cc(Cl)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ncns3)ccc12 225113751 SAAHVVLWBSOFDW-UHFFFAOYSA-N 417.903 3.911 0 1 HHAF Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)c1 199132975 ASIHSMHHYKLLCA-UHFFFAOYSA-N 404.513 3.733 0 1 HHAF O=C(c1cccc(F)c1)c1ccc(F)cc1/C=C/OCCN1CCC[C@@H](C(=O)O)C1 96923630 IWCMUJAARSRKPV-VEGGFIAOSA-N 415.436 3.980 0 1 HHAF COc1ccc(-c2csc(-c3cccc(C(=O)NS(C)(=O)=O)c3)c2)cc1OC 96282717 FCVOLBHVLGWOHS-UHFFFAOYSA-N 417.508 3.789 0 1 HHAF CCCC(=O)c1c(O)c(C)c(OC)c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c1O 238769037 PAJMZCLFOQIAFS-UHFFFAOYSA-N 418.442 3.616 0 1 HHAF CCOC(=O)c1ccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 254092396 HKASKRDXOJLTOA-QAQDUYKDSA-N 408.506 3.640 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 299878289 ITTVTGYJDJYVCJ-FKEBYFGASA-N 408.498 3.597 0 1 HHAF CCOC(=O)[C@H](CC)[C@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587788851 ARBARLHZIISYSJ-FNFWKMNBSA-N 402.304 3.553 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587245757 ZJAVHBZYYGTKCY-UHFFFAOYSA-N 404.426 3.864 0 1 HHAF CC(C)Oc1cc(-n2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)c(Cl)cc1Cl 587943026 IPLDOYIQVGMGAR-VIFPVBQESA-N 418.229 3.625 0 1 HHAF FC1(F)Oc2cc3nc(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)[nH]c3cc2O1 587119313 VRGJNKOOENNGOB-UHFFFAOYSA-N 413.262 3.803 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O 587444285 YYPYBEQIZJNPJD-CPJSRVTESA-N 416.429 3.850 0 1 HHAF Cc1cnc(Cl)c2[nH]c([C@H](C)n3ncc(I)c3C)nc12 587181909 HSIFUHTZZSRBBA-QMMMGPOBSA-N 401.639 3.639 0 1 HHAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O 587791435 IKHFRRYBTUKGKJ-XTZNXHDOSA-N 424.266 3.684 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 587719606 LHTHVLAOQWNISV-QTTZVWFDSA-N 408.193 3.670 0 1 HHAF CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1nc(C)c(Br)c1C 587651107 KVPLFHPKICFIRJ-CQSZACIVSA-N 423.698 3.917 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3c(c2)OC(F)(F)O3)N1 962706281 XCMWKCYFXJXZCY-DOMZBBRYSA-N 419.277 3.854 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](CCO[C@@H]2CCCCO2)N1 962921054 FVPXTRZBRSAWOQ-FDFHNCONSA-N 413.470 3.758 0 1 HHAF COc1ccc2c(n1)CC[C@@]21N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182818 RWDHMFKUHVDZHF-MAUKXSAKSA-N 412.795 3.551 0 1 HHAF Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12 13641484 LRSMFTYPNCRAQC-UHFFFAOYSA-N 405.502 3.795 0 1 HHAF COc1cc2ncnc(N3CC[C@@H](Oc4cc5ccccc5cn4)C3)c2cc1OC 14956504 WQCSFVSIVBVUFZ-QGZVFWFLSA-N 402.454 3.853 0 1 HHAF COC(=O)c1cc(Br)cnc1N1CCC(N(C)C2CCCCC2)CC1 169304725 HGYWYIFRODIYFX-UHFFFAOYSA-N 410.356 3.864 0 1 HHAF CCOC(=O)C1=C2CCCN2C(c2nccn2C)=N[C@@H]1c1ccc(F)cc1Cl 1857630660 MIWLTNCOUYMLGX-QGZVFWFLSA-N 402.857 3.627 0 1 HHAF CC(C)N1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762375 JEKZUGRENKXMTF-QGZVFWFLSA-N 401.457 3.970 0 1 HHAF O=S(=O)(c1cccc2cccnc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1250990365 VHYBRIJZDNAGJV-FBHSLPMESA-N 423.582 3.819 0 1 HHAF COc1cc(-c2ncnn2-c2ccc(Br)cc2F)cc(OC)c1OC 758003 XLDWXRKJVKALSH-UHFFFAOYSA-N 408.227 3.862 0 1 HHAF C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1 13589412 STRFUFNUDIMYMO-GOSISDBHSA-N 419.525 3.994 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](C(=O)NCc1cccnc1)[C@@H]2O 13681774 JLDAJRITWUSQME-XAXPUHOKSA-N 406.526 3.547 0 1 HHAF c1ccc(COC[C@H]2CCCN2CCc2c[nH]c3ccc(-n4cnnc4)cc23)cc1 13794045 HKFTVHZSGNUMDA-JOCHJYFZSA-N 401.514 3.972 0 1 HHAF O=c1cc(Cc2cccc3ccccc23)c(C2CC2)c2n1[C@H](c1nnn[nH]1)CS2 29046679 WEEJBHMAXXLXSK-SFHVURJKSA-N 401.495 3.678 0 1 HHAF Cn1nc(C(=O)NCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2 43078492 KPUBBCGAMBGWSV-UHFFFAOYSA-N 410.481 3.649 0 1 HHAF Cc1nc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)sc1C 49807716 GFFYKSCAUKNILG-GOSISDBHSA-N 422.572 3.702 0 1 HHAF Cc1cc(C(N)=O)ccc1-c1c(-c2ccc(-n3ccnc3)cc2)ccn1CCC(=O)O 68198705 CPOQTXKWWFQYCF-UHFFFAOYSA-N 414.465 3.890 0 1 HHAF Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)CC(=O)NC1C2CC3CC(C2)CC1C3 103269494 TUHIBRVVRLEHKK-BFNKHLQJSA-N 424.994 3.646 0 1 HHAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CC[C@H](c3ccccc3)C2)C1 145044451 YMMSBQRMKGESMZ-SFHVURJKSA-N 424.508 3.586 0 1 HHAF COc1ccc(Cl)c(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1 149271515 VDIAEIJDVYOMLE-UHFFFAOYSA-N 423.904 3.747 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC4)c3Cl)C2)cc1 169709367 MLRDQJYAPDTSBN-HNAYVOBHSA-N 414.937 3.800 0 1 HHAF CC(=O)OC[C@H]1[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@@H]3[C@@H]2CC[C@H]1[C@H](C)OC(C)=O 299816438 ZAFHWUCEOHMPTI-QHGFITNOSA-N 408.535 3.902 0 1 HHAF O=S(=O)(CCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc2c(c1)CCC2 586920148 FKZDEZAWVVXOMZ-UHFFFAOYSA-N 423.307 3.970 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)o1 586923710 RVPHTPMVVLCECD-UHFFFAOYSA-N 419.466 3.697 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1 586940876 IWHYMNRWGYBGPA-CMDGGOBGSA-N 406.305 3.724 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586972215 FEHCOIJFEZOJLL-FQEVSTJZSA-N 411.527 3.779 0 1 HHAF O=C(NCc1nc2c(Cl)c(Br)cnc2[nH]1)c1cc2c(s1)CCC2 587035232 QNAFZZMOSJNEGZ-UHFFFAOYSA-N 411.712 3.854 0 1 HHAF O=C(N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O)OCc1ccccc1 587204201 VUKKZZGNAHHEER-CQSZACIVSA-N 407.348 3.504 0 1 HHAF O=C(c1ccc(-c2ncccn2)cc1)c1c(CO)oc2cc(Br)cnc12 587276665 PXSFQYYRNLCUKS-UHFFFAOYSA-N 410.227 3.771 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)O2 587376577 DONZEXPGWPLKRM-JOCHJYFZSA-N 409.873 3.761 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)Nc3ccccn3)cc1)O2 587389451 KOOJVSHODDSQGG-HXUWFJFHSA-N 403.438 3.696 0 1 HHAF CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN1CCOCC1 587443186 LJKFOJJAUZIQJD-CJFMBICVSA-N 423.509 3.589 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 587762178 XKGGPNDJXLDCOO-CWTRNNRKSA-N 401.283 3.967 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(S(C)(=O)=O)c1 587863165 DJWZVPMHNQTNGZ-UHFFFAOYSA-N 424.400 3.670 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cn3cc(Cl)cc(Cl)c3n2)N1 963231906 RYUQKAQYDVAMRE-AEFFLSMTSA-N 413.264 3.878 0 1 HHAF O=C(NC1CCC1)[C@@H]1CN(c2ccccc2)CC(=O)N1c1ccc2ccsc2c1 1772570518 NRKWWGWUPXTZOL-FQEVSTJZSA-N 405.523 3.792 0 1 HHAF O=C(c1ccnc(-c2nc(O)c3sccc3n2)c1)N1CCC(C(F)(F)F)CC1 1857586937 MSDAMIKVJYQXEZ-UHFFFAOYSA-N 408.405 3.873 0 1 HHAF CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@H](CCN(C)c3ccccc3)C2)cc1 2356862358 UZRWESWYPMWQEZ-LEWJYISDSA-N 423.557 3.832 0 1 HHAF CC(C)(C)OC(=O)NCc1ccccc1/C=C/S(=O)(=O)NCCc1ccccc1 96020294 LCERZGUPFCJUGV-JQIJEIRASA-N 416.543 3.844 0 3 HHAF CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C 101910740 XCYLAXHMFOVCPK-UHFFFAOYSA-N 418.954 3.628 0 3 HHAF aggregator CC(C)Cc1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 12405948 CNXJTIGSMUWUFT-UHFFFAOYSA-N 401.474 3.757 0 1 HHAF COc1ccnc(C[S@](=O)c2nc3ccc(OC(F)(F)C(F)F)cc3[nH]2)c1 13452064 IWECCZBOLCDNSE-HHHXNRCGSA-N 403.357 3.511 0 1 HHAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc5c(c4)OCO5)c3)cc12 14961768 IKYGJTHTAXCLMT-SFHVURJKSA-N 402.454 3.611 0 1 HHAF Fc1ccc([C@H]2C[C@@H](N3CCN(CCN4CCN=C4S)CC3)c3ccccc32)cc1 26295096 KEZSHZKFTHXJAG-DHIUTWEWSA-N 424.589 3.621 0 1 HHAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C1(C)CC1 26673557 AAKHVDNKNCCOGH-ARCHBJLKSA-N 404.547 3.896 0 1 HHAF CCOP(=O)(OCC)[C@H](c1ccc(O)cc1)N1CCN(c2ccccn2)CC1 26823318 FMSVXQUEFYJZCB-HXUWFJFHSA-N 405.435 3.874 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=C[C@@H]4CCCC[C@@H]43)CC1)[C@H](O)C2 27305835 YOOZACONZOWRFD-SZUGHSQMSA-N 407.620 3.962 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(I)c2)C[C@@H]2CC[C@H]1N2C 28475617 BPVNLZVHXOKPAU-RBDSIQFVSA-N 419.690 3.684 0 1 HHAF CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc21 29134306 ZKVQZKJTCLSERL-UHFFFAOYSA-N 409.442 3.973 0 1 HHAF COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 33819226 ROJAMGATLCODGT-NRFANRHFSA-N 419.868 3.894 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cccc(NCC3CCNCC3)c12 35277715 HDDIOJGXXSOVQK-UHFFFAOYSA-N 420.538 3.960 0 1 HHAF COc1ccccc1Cn1c(=O)n(-c2cccc(C)c2)c2nc(NC3CC3)ncc21 40914075 NFNDSYDEZWGWHU-UHFFFAOYSA-N 401.470 3.522 0 1 HHAF Nc1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@@H]2C2CC2)cc1 45254278 IWSPIYBYHBQJGN-IBGZPJMESA-N 402.426 3.597 0 1 HHAF c1cc(-c2cc(-c3cc[nH]n3)cc(N3CCNCC3)n2)cc(NC2CCCCC2)n1 58655483 ZIATUPKJNZVSLT-UHFFFAOYSA-N 403.534 3.688 0 1 HHAF CCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccc(C(F)(F)F)cc21 84668655 JKUBZGCOTIXBCQ-UHFFFAOYSA-N 404.388 3.979 0 1 HHAF COc1ccccc1N1CCN(c2nc(C3CCC3)nc3cc4c(cc23)OCO4)CC1 96284490 PWJIZHGNECXEFM-UHFFFAOYSA-N 418.497 3.961 0 1 HHAF CS(=O)(=O)[C@@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 144372664 BLULZTBNCMRZRI-MJGOQNOKSA-N 418.527 3.574 0 1 HHAF CCCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169366495 PKRSCLWRYRXOGB-MGHCRLSISA-N 423.553 3.699 0 1 HHAF COc1cccc([C@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC 169715409 DIBKCKZXBFTWSV-BIBXISHDSA-N 419.886 3.732 0 1 HHAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]12 198042048 PMJIUNUHZLTRMR-SNHGZMDHSA-N 401.507 3.641 0 1 HHAF CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc3ccccc3n1)C2 226055024 LNLXUBFJNUWYQB-IPELMVKDSA-N 403.486 3.590 0 1 HHAF CC(C)[C@@H]1[C@H](OC(=O)/C=C\c2ccccc2)C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O 238789322 QFWCWMZSCXWBAK-YWBHERONSA-N 400.515 3.744 0 1 HHAF O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O 261175307 USCNGGLGTJXIDR-UHFFFAOYSA-N 408.857 3.538 0 1 HHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586918389 XWNYLGKZSAYHOQ-DVECYGJZSA-N 404.514 3.531 0 1 HHAF COCc1nc2ccc(O)c3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O 586992403 WRVSYCZANOYILR-UHFFFAOYSA-N 405.450 3.994 0 1 HHAF CC(C)(C)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 587112816 DDDCJVAODBHOAN-UHFFFAOYSA-N 401.396 3.976 0 1 HHAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccccc5[nH]4)nc3n2)cn1 587129011 ALNSBVPNOLDJGO-UHFFFAOYSA-N 408.416 3.607 0 1 HHAF O=C1CC=C(c2nc3cccc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 587164583 WZLHUFSUMUBBGO-UHFFFAOYSA-N 401.239 3.743 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1cccc(N)c1)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587432470 MIEOQAZKJANVCM-DFBJGRDBSA-N 415.445 3.740 0 1 HHAF COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517214 JHUFWEVRWPMMDK-ATIYNZHBSA-N 419.521 3.965 0 1 HHAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(N2CCOCC2)cc1 587631401 BACDOWNWLPVFJQ-UHFFFAOYSA-N 416.836 3.815 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587856895 JKEDGXOQOLRUFX-YOIRWDDOSA-N 402.329 3.634 0 1 HHAF CCCCCc1ccc([C@]2(C(=O)OCC)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962891389 ANIXUMSDVWCCOZ-RDPSFJRHSA-N 413.489 3.964 0 1 HHAF Cc1cc(-c2nc3cnc(OCC4CC4)cc3n2[C@@H](C)c2cccnc2)cn(C)c1=O 1772613873 FCMMKSLAUYKORR-INIZCTEOSA-N 415.497 3.899 0 1 HHAF Cc1nc2c(Cl)cccn2c1C(=O)NCCOc1ccc(Br)cc1 1857563517 KLRLERHGSIXOPU-UHFFFAOYSA-N 408.683 3.867 0 1 HHAF O=C1CC[C@@H]2CN(Cc3c(-c4ccc(Cl)cc4)nc4cnc(C5CC5)cn34)CCN12 1857653149 BZYOEBWCELTDFC-GOSISDBHSA-N 421.932 3.734 0 1 HHAF C[C@H]1COc2c(-c3cc4ccccc4oc3=O)c(F)cc3c(=O)c(C(=O)O)cn1c23 1911582898 HXIPQOSZUXSRMQ-JTQLQIEISA-N 407.353 3.566 0 1 HHAF COc1cc2c(cc1[C@@H]1COc3c(cc(OC)c4c3C=CC(C)(C)O4)C1=O)OCO2 2356420967 SVVMFCAJMUPCKW-HNNXBMFYSA-N 410.422 3.976 0 1 HHAF CCCCCC1=NO[C@@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1 12354994 TYJRDDMZYMNGAZ-LJQANCHMSA-N 415.515 3.665 0 1 HHAF CC(C)C[C@H](NC(=O)[C@H]1CS[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 28818180 PMHNFWJIPVUVTO-JZXOWHBKSA-N 422.547 3.653 0 1 HHAF C[C@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)[C@@H]1C 33028621 KSTNMOVWNILYPW-CSODHUTKSA-N 400.544 3.720 0 1 HHAF OCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(C(F)(F)F)cc2)CC1 53084314 UIDYCQYSZYVKMY-UHFFFAOYSA-N 415.459 3.985 0 1 HHAF O=C(NCC1CC1)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 82153592 HJNWCYZPKMTDFX-UHFFFAOYSA-N 414.509 3.787 0 1 HHAF O=C(NN1C(=O)CCS[C@@H]1c1ccccc1OCc1ccccc1)c1ccncc1 84635734 VJIBRKNLCGHCDU-HSZRJFAPSA-N 419.506 3.970 0 1 HHAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)c4ccccc4)cc3F)c3c(N)nccn32)C1 100618799 SZXPNKVJYHCENL-ONEIWYMKSA-N 416.456 3.977 0 1 HHAF CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 101634774 KPYIQJZAKZINCU-KQTLUZQSSA-N 422.572 3.654 0 1 HHAF O=C1C[C@H](c2cccc(Cl)c2)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 103155065 LACQCZVMKLFXTH-LJQANCHMSA-N 418.324 3.616 0 1 HHAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3C=C[C@@H](C2)N3C(=O)OC(C)C)c1C 103233172 SQYOFLMCCJPQHI-PIIMJCKOSA-N 410.474 3.976 0 1 HHAF CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O 103254472 PCTUSXLXMCKLID-QUWSVYMGSA-N 414.456 3.892 0 1 HHAF COc1ccc(C)cc1S(=O)(=O)Nc1cc(OC2CCNCC2)c2occc2c1 142897838 FSYFPMXAUCTXIX-UHFFFAOYSA-N 416.499 3.681 0 1 HHAF CC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706963 MVGONVLTYXSOOP-KRWDZBQOSA-N 402.498 3.911 0 1 HHAF COc1cccc(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199427626 QXUMCMWLWFPOQC-HXUWFJFHSA-N 418.541 3.934 0 1 HHAF COc1ccc(S(=O)(=O)NC(C)C)cc1Nc1ncc(-c2cccc(F)c2)cn1 230561391 KNMUKAAFIINXHC-UHFFFAOYSA-N 416.478 3.722 0 1 HHAF CSc1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1 586945393 HKPKOHDQBAXENN-CQSZACIVSA-N 417.556 3.718 0 1 HHAF O=C1COc2cc(Br)ccc2N1CCc1nc2ccc3ncccc3c2[nH]1 587002325 JSPCJDPGAVZNLU-UHFFFAOYSA-N 423.270 3.842 0 1 HHAF CCOC(=O)Cc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197030 GWYJQNOINZNGFU-INIZCTEOSA-N 417.506 3.585 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 587198028 DPQIVELOIHEMRU-UHFFFAOYSA-N 400.438 3.860 0 1 HHAF CCOC(=O)[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375118 RAZJDLZGMZPTMV-MDKPJZGXSA-N 402.443 3.555 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O 587428871 MLYWSVGICFUDQQ-SGXKBVARSA-N 424.497 3.590 0 1 HHAF CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430934 ICTXUGMDDLUGBA-OPAMFIHVSA-N 404.422 3.546 0 1 HHAF C[C@@]1(CC(=O)NCCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567978 AXEYXZADAVCTMV-RDGATRHJSA-N 417.461 3.862 0 1 HHAF O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 587570639 OUGWCZXCIRBJAN-WMZHIEFXSA-N 420.348 3.749 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)s1 587615421 WTFRCAAOFLLBEX-OFNKIYASSA-N 423.490 3.989 0 1 HHAF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccnn1C 587628753 ZGFHYULVFPPUMD-UHFFFAOYSA-N 419.281 3.957 0 1 HHAF CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793804 LEZWGKFTVZRVGS-APBUJDDRSA-N 423.282 3.941 0 1 HHAF COc1cccc([C@@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)c1 653846193 FELOSUHWLXZICI-JOCHJYFZSA-N 423.513 3.878 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)c2ccc(F)cc2C[C@H]2CCCN21 963108804 YMYOVJDHRGWODW-CJAUYULYSA-N 420.484 3.714 0 1 HHAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1ccccc1C(F)(F)F 1772588804 LEVWAVUFJZZYHD-WIGMZFAJSA-N 419.399 3.860 0 1 HHAF COc1ccc([C@@H](C(=O)Nc2ccc(C)cc2)N(C)C(=O)c2ccc(O)nc2)cc1 1857639831 GGXUSQNOFQYKLY-NRFANRHFSA-N 405.454 3.556 0 1 HHAF O=C(/C=C/c1ccc(F)cc1F)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857758486 JHUCDPSMCXJYRI-VMPITWQZSA-N 409.436 3.576 0 1 HHAF COc1c(C)c(C=CC=CC=CC(C)=C[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)oc(=O)c1C 2356580519 WQOZGNFAVRFSGE-IBURTVSXSA-N 416.514 3.626 0 1 HHAF COc1cc2c(-c3cccc4c3OCO4)c3c(c(OC)c2c(OC)c1OC)COC3=O 2356780751 GGTZHSHHPAQZRU-UHFFFAOYSA-N 424.405 3.940 0 1 HHAF C[C@@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61928680 FVBZDCQFHSVLCY-QFIPXVFZSA-N 407.857 3.833 0 3 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)OCc3ccccc3)OC[C@@H]2C(C)C)cc1 95570637 ABJKYLFMECAGML-RTWAWAEBSA-N 417.527 3.500 0 3 HHAF COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 11909404 VSRXHPMNIVBYAT-UHFFFAOYSA-N 403.526 3.791 0 1 HHAF O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2 28334429 BZSMXDRJPDFXQG-UHFFFAOYSA-N 416.474 3.935 0 1 HHAF Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(OCCCN(C)C)cc3)C2)cc1C 28477245 PTCAYGMRJWVQQR-QHCPKHFHSA-N 409.574 3.638 0 1 HHAF CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C 34046238 ZAQLTGAFVMGUMB-WCXIOVBPSA-N 413.299 3.809 0 1 HHAF COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 40933529 RAZVWQXLABWRGV-XETPBLJFSA-N 422.510 3.679 0 1 HHAF CN1CC[C@]23Cc4nc5c(Cl)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95562438 VEUCTLCYCRDHNB-GMKZXUHWSA-N 406.913 3.622 0 1 HHAF CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21 95575309 KGSRYTUWXUESJK-FXBPSFAMSA-N 424.520 3.733 0 1 HHAF CCOC(=O)[C@]1(C(=O)Nc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95598407 RCPFIUFNKROQIP-OPAMFIHVSA-N 417.433 3.527 0 1 HHAF Cc1cccc(CC(=O)n2ccc3c(F)c(-c4cn(C)c5ncnc(N)c45)ccc32)n1 98208104 YGEJQNSKXJFIJF-UHFFFAOYSA-N 414.444 3.898 0 1 HHAF in-vitro C[C@@H]1CCCC[C@H]1N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 148311403 GVEYIRBPTHBSFV-LVCYWYKZSA-N 414.571 3.996 0 1 HHAF O=C(NCCCc1ccccc1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167596253 JGWGTKBUVLADSA-UHFFFAOYSA-N 400.482 3.992 0 1 HHAF NC1=N[C@@](c2cc(NC(=O)c3cc(Cl)cs3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226110166 XMHAOVWWUKOZLU-GSDQYQHOSA-N 415.824 3.987 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 253819970 ZJFUMBPXVUQPSJ-FKGLVLAHSA-N 419.690 3.684 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(C(=O)OC)c3[nH]2)cc1 587038922 CFIPHTUNWCNNPV-QGZVFWFLSA-N 411.483 3.636 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(CCO)ccc2[nH]1 587181194 OJVDGQBQJWXHEA-SNVBAGLBSA-N 410.259 3.537 0 1 HHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(S)nc(S)nc4[nH]3)c2)c1 587234621 HKZQZYBDVSSZNY-UHFFFAOYSA-N 407.524 3.548 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc(CC(=O)O)n1C)[C@@H](C2)C3=O 587432641 XZZDAAYPXFSTEG-DFBJGRDBSA-N 417.461 3.660 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc4n1CCN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587434827 BHPJWLTXBGZKBY-HRAATJIYSA-N 410.470 3.736 0 1 HHAF O=C1C[C@@H](c2ccc(OCCN3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587518306 FGZGBQZVCIFBJD-DEOSSOPVSA-N 407.510 3.983 0 1 HHAF C[C@@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526458 POGYSLJRFHGHEW-CPJLOUKISA-N 422.525 3.619 0 1 HHAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N(C)C 587573627 TWJYGUZIDVBNDF-NFBKMPQASA-N 419.433 3.948 0 1 HHAF CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798075 NSMHJOMNUXGLGV-NRHDTQDRSA-N 400.288 3.821 0 1 HHAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cn1 2356302366 SWPJAHGBDWJTPK-YOEHRIQHSA-N 424.398 3.724 0 1 HHAF Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1C 4977848 PQBLVODFEIOMIT-XLGPZGCCSA-N 417.505 3.851 0 1 HHAF CCCCNC(=O)[C@@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 8472596 DYYDKRZIMYLDMG-NTKDMRAZSA-N 424.545 3.534 0 1 HHAF biogenic C[C@H](NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)c1ccccc1 13732778 AMJHJWQKGLQESV-GAJHUEQPSA-N 412.493 3.887 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@@H](C)[C@@H](C)C2 15270678 IHVGPKYZFAVXGZ-LDLUMPKVSA-N 402.443 3.675 0 1 HHAF biogenic CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)C3CCC3)c3ccccc32)CC1 36188214 FIQNQKQDCYXHAB-UHFFFAOYSA-N 423.948 3.949 0 1 HHAF Cc1ccc2c(OC3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 40937054 BSIMRAQOAKLGIQ-UHFFFAOYSA-N 403.482 3.918 0 1 HHAF COC(=O)c1c(C(=O)OC)c2cccc(C)n2c1C(=O)c1ccc2c(c1)CCCC2 45245854 DOPYTLHUTUWMHW-UHFFFAOYSA-N 405.450 3.931 0 1 HHAF CC(C)Oc1ccc(-c2noc(-c3ccc(OC[C@H](O)CO)cc3)n2)cc1Cl 63539166 VKGWBEWIXJOVSR-OAHLLOKOSA-N 404.850 3.576 0 1 HHAF CC(C)OC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 71294342 GRTJBPVVZIHTLQ-UHFFFAOYSA-N 402.882 3.654 0 1 HHAF Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3nc(-c4ccccc4)oc3C)C2)n1 71340304 WZGVFBPGGTVOPK-HXUWFJFHSA-N 404.514 3.882 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](CCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 95581844 FPPCSQYNOOZECN-BEFAXECRSA-N 410.514 3.585 0 1 HHAF COc1cnc2c(NC3(c4nnc5ccc(-c6ccccc6)nn45)CC3)ccnc2c1 166066510 FZQRDCLZPMCCPS-UHFFFAOYSA-N 409.453 3.844 0 1 HHAF CC(C)(O)C(=O)N1CCC(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166802242 CSYVCKQHHOBFHE-UHFFFAOYSA-N 407.514 3.711 0 1 HHAF Cc1ccc(F)cc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 205725017 VUBDFAVOVWCZQL-UHFFFAOYSA-N 405.476 3.922 0 1 HHAF CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 254092336 GZTRBGOKFUFZBR-RAKWHOCZSA-N 416.514 3.657 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(O)cccc4[nH]3)cc2)cc1 586944219 HKDMYBFJPDPQAQ-UHFFFAOYSA-N 421.478 3.617 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2c1 587050825 RCUXBPOXICWJFX-UHFFFAOYSA-N 420.922 3.920 0 1 HHAF O[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1Cl 587059579 SKVIGODHFOZJNN-LLVKDONJSA-N 420.037 3.951 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 587153817 ADTZKNNQGCKOCE-VOJFVSQTSA-N 404.239 3.593 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329834 AQUALELTUJSWMU-VWNXMTODSA-N 419.408 3.987 0 1 HHAF CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346198 HTNXMCGBWVRFAY-JXHRLWIKSA-N 414.429 3.807 0 1 HHAF CCOC(=O)CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585160 CEHRUZDGBACOBB-URXFXBBRSA-N 419.433 3.988 0 1 HHAF CCOc1ccc(-c2nn(C(=O)COC(C)C)c(=O)c3ccccc23)cc1OCC 587671769 RNTPAVASURPSCR-UHFFFAOYSA-N 410.470 3.926 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 587726056 UAHIPDOKSJZIIP-CQLKUDPESA-N 400.194 3.729 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797611 MMTORMGDBUMEIJ-WYRIXSBYSA-N 414.315 3.886 0 1 HHAF CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963465263 ANZSSHRXMYVAIS-RXVVDRJESA-N 422.481 3.609 0 1 HHAF CSc1nsc2sc([C@@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c(N)c12 963522740 GRHJCZAKTGOHQN-YYSFKGJASA-N 421.569 3.538 0 1 HHAF COC(=O)[C@@]1(C)CCCC2=C1[C@@H](OC(C)=O)C[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 1911583755 SXTXLWYFYLKVRV-WWKKAEAFSA-N 416.470 3.885 0 1 HHAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 30479512 FWRGKIAYDILCKV-KRWDZBQOSA-N 401.507 3.508 0 3 HHAF COc1ccc(OCCNC(=O)[C@]2(C)CCN2Cc2ccc(SC)cc2)cc1 61895451 AUDIFWHZKNICFG-QFIPXVFZSA-N 400.544 3.577 0 3 HHAF Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)CC2)c1 61959858 NODJZZLEUMCLBC-UHFFFAOYSA-N 408.477 3.774 0 3 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 5208271 TWGHXVKHVUGVCO-VSWVPGIJSA-N 410.466 3.648 0 1 HHAF CC(C)O[C@@]1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 13488591 ZKYGSXURZRZQTM-NRFANRHFSA-N 404.459 3.838 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 13526246 PTPSBYOWELRFJR-FCHUYYIVSA-N 407.558 3.517 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c1 13617903 LPRDKGYMPJZAIG-RCPZPFRWSA-N 402.425 3.636 0 1 HHAF C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 38239205 UXUBIVIYCYOPNL-OAHLLOKOSA-N 404.532 3.612 0 1 HHAF O=c1c2ccccc2nc2n1CC[C@@H]2Cc1ccc(OCCN2CCCCC2)cc1 40892609 VSHZTCRSNWRICE-HXUWFJFHSA-N 403.526 3.991 0 1 HHAF C[C@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72177808 UVVHDKAZCOOGPE-RHSMWYFYSA-N 410.264 3.729 0 1 HHAF COCCCNc1ncc(-c2ncc(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82166614 KLUHVYMRINDIDF-UHFFFAOYSA-N 414.462 3.581 0 1 HHAF C[C@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1 84730184 INQYQIPIONHQKW-HNNXBMFYSA-N 420.538 3.795 0 1 HHAF OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 95874610 OCNSDTKZVINVFB-UODIDJSMSA-N 414.553 3.568 0 1 HHAF O=C(C1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878639 MWKSBEGZIHONLC-UEVCKROQSA-N 410.489 3.595 0 1 HHAF COC[C@@H]1Cc2cc(OC)c(OC)cc2[C@H](c2ccc3c(c2)OCO3)[C@H]1COC 143160728 WBJMMHMEDGPCCD-CEXJFXJFSA-N 400.471 3.646 0 1 HHAF Cc1cn2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1 147815740 INOUYBFQDWAFLB-UHFFFAOYSA-N 409.449 3.931 0 1 HHAF CCCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195282961 PKRSCLWRYRXOGB-SYEHWYHSSA-N 423.553 3.699 0 1 HHAF CN1CCC[C@H]1c1ccc[n+](CCCCCCNC[C@@H]2CCc3ccc(O)cc3O2)c1 473115532 UEHARNLMUOFGOF-DQEYMECFSA-O 424.609 3.990 0 1 HHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(Br)cc3[nH]2)c1 586940275 YPLDVSAACKKKFO-UHFFFAOYSA-N 417.716 3.661 0 1 HHAF Cc1cnc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 587107549 BKNOOVXRVCDPEE-CQSZACIVSA-N 410.421 3.811 0 1 HHAF CC[C@@H](c1nc2ccc(F)c(F)c2[nH]1)n1cc(I)c(C)n1 587186123 RSMKJGXYZBLJPJ-NSHDSACASA-N 402.186 3.950 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417277 BFSAMOQRRYKELR-OPAMFIHVSA-N 414.841 3.514 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C(=O)OCC 587477436 RFDIOGNYVVCEAR-CJFMBICVSA-N 423.509 3.744 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc3nc(O)[nH]c3c1)CC2=O 587481860 IJTLTHRZFLHPGM-JOCHJYFZSA-N 409.442 3.679 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522658 GQKMSVIJAMEZFE-VWLOTQADSA-N 422.477 3.957 0 1 HHAF COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523643 LOKFCAOVBORZNE-DEOSSOPVSA-N 408.450 3.776 0 1 HHAF Cn1ncc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538806 GNAFALRUXSPILI-KXBFYZLASA-N 415.243 3.765 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2nccn2C)N1 587751751 AOCKZAWMRXDGJI-BUXKBTBVSA-N 401.283 3.543 0 1 HHAF Cc1nc(C)c(I)c(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587873070 BSJJTQKYUGAELO-UHFFFAOYSA-N 408.174 3.796 0 1 HHAF COc1cc2nc(N(C)CC(C)(C)C)nc(NC3CCN(C)CC3)c2cc1OC 1772625036 OPOCBCGSTOFGIL-UHFFFAOYSA-N 401.555 3.635 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(OC)c2)c(Cl)[nH]1 1857614228 JCKVTHYJAYZMFG-MRXNPFEDSA-N 417.897 3.681 0 1 HHAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2cc(F)c(F)cc2F)nc2ccc(C)cn12 1857615833 OIIOJKUYSGIGNI-LLVKDONJSA-N 404.392 3.841 0 1 HHAF COc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H](N)C(C)C)cc3n2)cc1Cl 1857619159 KUNLAOKMYMOPBI-IBGZPJMESA-N 402.882 3.594 0 1 HHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(I)cc2)cc1 1911581323 SSMFBZSTUWKHRF-MAUKXSAKSA-N 422.262 3.874 0 1 HHAF CC=C1C[C@@H]2[C@H](OC)Cc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356519654 LIJUHCYJZPDEAU-YWQONGFDSA-N 413.514 3.585 0 1 HHAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@@H]2[C@H]1C 2356736822 SFOCGDDXGORYAU-JSRCBNIJSA-N 421.626 3.582 0 1 HHAF CCN(CC)CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN(CC)CC)cc2)cc1 4783179 FHWJVXKJFYOUFU-UHFFFAOYSA-N 424.589 3.838 0 1 HHAF O=S1(=O)N=C(NCc2c[nH]c3ccccc23)N(c2ccccc2)c2ccncc21 5939043 SJUALJMYHAXCNY-UHFFFAOYSA-N 403.467 3.549 0 1 HHAF O=C(N[C@H]1CC[C@H]2C[C@H](N3CCN(c4ccccn4)CC3)CC[C@@H]2C1)c1ccccc1 13739891 OVQXIVRARLGKOO-NAVOZUGXSA-N 418.585 3.971 0 1 HHAF O=C(NCC1CCN(Cc2cccc(-n3cccn3)n2)CC1)c1cccc(Cl)c1 13782317 HMXXUZGCGZJBKC-UHFFFAOYSA-N 409.921 3.563 0 1 HHAF COC(=O)c1c(O)cccc1OC[C@@H]1C[C@@H]1c1cccc(-c2cc(C(=O)O)no2)c1 14954246 XSCGTWVGLHSJGP-LSDHHAIUSA-N 409.394 3.715 0 1 HHAF CCC1(CC)C(=O)N([C@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@H]1Oc1ccccc1 28461025 SBIYWMDMAPVVNJ-FPOVZHCZSA-N 408.454 3.545 0 1 HHAF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(F)n1 58583046 GLUYPOGPLCBWGM-UHFFFAOYSA-N 405.838 3.927 0 1 HHAF COc1ccc2sc(CNc3nncc(-c4c(OC)cccc4OC)n3)nc2c1 95582755 SQABTMWKQNQXGY-UHFFFAOYSA-N 409.471 3.786 0 1 HHAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 95864513 RUCIPOPFXCQXQT-FGZHOGPDSA-N 410.945 3.681 0 1 HHAF COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@H](O2)c2c(cc(C)oc2=O)O3)cc1 102853220 GTDDZWFPUABHTD-LADGPHEKSA-N 422.433 3.882 0 1 HHAF COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)c(Cl)c2)c1 103296575 DJPLRGPPZDRREQ-QGZVFWFLSA-N 405.882 3.919 0 1 HHAF COc1cccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 142079141 QOEHDCORKMZOHM-CZUORRHYSA-N 424.461 3.690 0 1 HHAF CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC(C)(C)N1 145879613 IOSGAMGRHGQPOC-UHFFFAOYSA-N 400.544 3.558 0 1 HHAF O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 169364125 RDHJLIIGGAPIEE-UPQOXJCWSA-N 410.857 3.728 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3C)C2)cc1 169709826 PCTFWJKYNQGGEK-HNAYVOBHSA-N 419.472 3.889 0 1 HHAF CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1 205055193 NHAMQGDRIHWWCM-UHFFFAOYSA-N 405.863 3.609 0 1 HHAF CN(CC[C@H]1CC[C@H](C(=O)N2CCC(O)CC2)CC1)C(=O)Oc1ccc(Cl)cc1 254093229 PAHWPIPXJDOVHD-QAQDUYKDSA-N 422.953 3.950 0 1 HHAF in-vitro NC(=O)Nc1ccc2nc(O)c(Nc3cccc(NC(=O)N4CCCC4)c3)cc2c1 299840183 VPEGWANCCFGPQA-UHFFFAOYSA-N 406.446 3.802 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 299875746 DKMGXGYXVWRENY-ATZDWAIDSA-N 402.466 3.696 0 1 HHAF O=S(=O)(CCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc2c(c1)CCC2 586920488 LJGHUMGBFGNAOZ-UHFFFAOYSA-N 423.307 3.970 0 1 HHAF O=c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587053525 CYZHWYHXUZFYSC-UHFFFAOYSA-N 420.281 3.531 0 1 HHAF CCOC(=O)CCc1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O 587096551 DXILNQCGBIHCLJ-UHFFFAOYSA-N 403.434 3.877 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 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O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccccc2CN2CC=CC2)(C2CCC2)N1 962916470 FCUJMWRVRVLHEE-ZCYQVOJMSA-N 406.501 3.840 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCN(C(=O)OC(C)(C)C)c3ccccc31)NCC2 962923769 JXEQBFZBZIFMMW-VWLOTQADSA-N 421.541 3.923 0 1 HHAF CC(C)[C@H](N)[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924821 HCZAZIXUGZYBOK-CMKODMSKSA-N 424.419 3.524 0 1 HHAF Cc1c([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cnn1-c1ccc(F)cc1F 963037847 WHPIMXCTFKDMHY-FATZIPQQSA-N 408.452 3.776 0 1 HHAF CCOC(=O)C(C)(C)C[C@]1(c2cc(F)c(F)c(F)c2)c2c(cnn2C)CCN1C 963955542 QEARVLDCTOYXAC-NRFANRHFSA-N 409.452 3.548 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@@H]1CCCN(Cc3ccccc3)C1)C2 1772626544 IFAUDIFDZPQQDU-NQIIRXRSSA-N 423.509 3.514 0 1 HHAF O=C(NC1CC1)C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 11707571 XYXIRGGBVWYCOD-UHFFFAOYSA-N 409.496 3.660 0 3 HHAF CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)[C@H]1C)OCO3 16958704 OMMBEWHNDYJBLZ-VJHPCUNCSA-N 415.486 3.966 0 3 HHAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4207978 UELRQBVNZQLPNE-KKTRPPJXSA-N 400.906 3.955 0 1 HHAF O=C(NCc1ccncc1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 11973234 OBKQUEQABDYAOI-UHFFFAOYSA-N 422.492 3.630 0 1 HHAF CN(C)CCN1C(=O)c2cc(NC(=O)C(C)(C)C)cc3cc4c(c(c23)C1=O)CCCC4 26831278 HBIMUOLGAQKEED-UHFFFAOYSA-N 421.541 3.861 0 1 HHAF O=C(O)C(=O)CC(=O)c1cccc(OCc2ccc(C(=O)c3ccccc3)cc2)c1 28223105 OUABUUUEBFFLID-UHFFFAOYSA-N 402.402 3.723 0 1 HHAF Cc1nsc(-c2ccnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)n1 40640939 ZGPAHVHSHCZRNO-UHFFFAOYSA-N 406.437 3.649 0 1 HHAF CCOc1ccccc1C(=O)N1CCCN(Cc2nc(-c3cccc(F)c3)no2)CC1 65172355 CHBWDVQROMAMAM-UHFFFAOYSA-N 424.476 3.623 0 1 HHAF CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(C)C 82070265 JRSLKLLVQIMBOE-SFHVURJKSA-N 404.532 3.924 0 1 HHAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCc1ccccn1 82082800 LZWHLGFBBZVSLP-IBGZPJMESA-N 424.526 3.822 0 1 HHAF COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1 82157965 XIRFZTKRGFWLAO-DHDCSXOGSA-N 406.257 3.853 0 1 HHAF CS(=O)(=O)c1ccc(-c2c(Br)ncn2-c2ccc(F)c(F)c2)cc1 95580076 ZXMBVXLJBNAFRD-UHFFFAOYSA-N 413.243 3.984 0 1 HHAF CN(c1ccc2c(c1)c1ccccc1n2CC(=O)O)S(=O)(=O)c1ccc(F)cc1 95580187 NWQNPLXAJPJKQJ-UHFFFAOYSA-N 412.442 3.843 0 1 HHAF CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2c(F)cccc21 96284778 AKEDBCQYOCYZDX-SILNSSARSA-N 424.520 3.733 0 1 HHAF CCOC(=O)CNC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103198278 KZDRZOFIRNIPBS-LLVKDONJSA-N 413.257 3.627 0 1 HHAF CNc1nc(Nc2cc(F)c(N3CCCCC3=O)cc2OC)ncc1C(F)(F)F 205903417 VQTACLUNJOFGAM-UHFFFAOYSA-N 413.375 3.945 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CN(C)C)c4ccccc4)ncc23)ccn1 261186952 XSQMERQMENMOIR-HXUWFJFHSA-N 415.501 3.753 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 299875090 CLRATSVFOFTHTP-TUNNFDKTSA-N 424.884 3.745 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586939839 XRFUWLMTRDZLDT-DLBZAZTESA-N 421.910 3.616 0 1 HHAF Cc1c(Cl)ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586946272 IOBKQPIDEUEKDE-CQSZACIVSA-N 405.907 3.649 0 1 HHAF O=C1COc2cc(Br)ccc2N1CCc1nc2cnc3ccccc3c2[nH]1 587002367 KGBRDIZTTOXMKB-UHFFFAOYSA-N 423.270 3.842 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 587040805 CDPSPMSRJRTDDX-QGZVFWFLSA-N 415.446 3.687 0 1 HHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(I)cnc3[nH]2)cn1 587247960 ZSJIGKKUQXBPLP-UHFFFAOYSA-N 421.242 3.609 0 1 HHAF COc1cc2c3c(c1)O[C@H](C1(c4cccc(Br)c4)COC1)[C@@H](C2)C3=O 587419941 VGOYNGANDNKWSL-KXBFYZLASA-N 401.256 3.542 0 1 HHAF Cn1cnc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547749 RKOBXLOVBVMOFC-SUMWQHHRSA-N 401.216 3.591 0 1 HHAF C/C(=C\[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587573267 SHTCSQFURYCYKA-HRKNJWBZSA-N 403.438 3.505 0 1 HHAF COc1ccc([C@@]2(COC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598928 CKJNSOFRXWQUSZ-XUZZJYLKSA-N 420.417 3.821 0 1 HHAF CN1CCc2c(sc(N)c2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587618381 OHTFKJBZFFRMHK-XXBNENTESA-N 422.506 3.901 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)nc2)N1 587687248 YNAJILKUAABWSL-UHLUBPPHSA-N 401.077 3.764 0 1 HHAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC 587747548 LYFIQAHVADUOBJ-OVWNDWIMSA-N 409.299 3.985 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nn2)N1 587760259 OMWYRARWDBJQRO-BUXKBTBVSA-N 401.283 3.852 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587776806 DRJCJWFMJOWRCS-HOGDKLEQSA-N 421.266 3.501 0 1 HHAF COc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cn1 587869930 VBLRDPOONQUDGY-UHFFFAOYSA-N 409.393 3.621 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c(O[C@H]2CCOC2)c1 587924596 FFHHMOWQADBUMZ-INIZCTEOSA-N 413.401 3.649 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cccnc2OCC(F)(F)F)N1 962957411 BSBIMHLDMSVUFI-BXUZGUMPSA-N 422.737 3.643 0 1 HHAF CCOC(=O)C[C@@]1(CC2CCCC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962962968 IBKHPJOMMRWLDZ-MGPUTAFESA-N 415.864 3.946 0 1 HHAF COC(=O)[C@@H]1SC2(CCCC2)SC[C@]12N[C@@H](C)Cc1c(OC)ccc(OC)c12 963602683 ARWBLSWELUHLOO-LTBCBRHQSA-N 423.600 3.725 0 1 HHAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NCC3(N)COC3)c2c1 1857745882 BNHKKAWGNKMZHC-UHFFFAOYSA-N 406.505 3.775 0 1 HHAF COc1cccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(I)cc2)c1 1911584506 ZOSHFUYQAXAJLG-MAUKXSAKSA-N 422.262 3.874 0 1 HHAF COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@H]1c1ccc(Br)cc1 8682071 WSQYIXJQYZACJD-INIZCTEOSA-N 405.248 3.756 0 3 HHAF O=C(Nc1ccccc1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCCCCO)O1 13634920 LTUMHZCUFSNUCK-HTAPYJJXSA-N 411.454 3.557 0 3 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCCc2ccccc2)O3)c1 61902942 DXAIOAJHVGPTNO-RUZDIDTESA-N 415.493 3.760 0 3 HHAF COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCC1)C2 95566787 VYBRESBFLCPBKT-NLFFAJNJSA-N 424.541 3.665 0 3 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4207603 FFKIVJFCPGMJIR-VUHPKUFZSA-N 404.919 3.913 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F 4417371 MLOMWMKDNPPSGK-YEDIGTBHSA-N 410.489 3.594 0 1 HHAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccccc3Cl)CC1)OCC2 27887198 UDCOWMWGPHMEML-JOCHJYFZSA-N 402.922 3.793 0 1 HHAF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 35033979 AOCHJFKNOHWWDN-QHCPKHFHSA-N 400.494 3.659 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@@H]2C[C@@H]3C[C@]3(c3ccccc3)C2)n1C 64527210 XWXGIXOQLMBDID-JBYIUTFZSA-N 409.559 3.971 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CC[C@@H](OC)C2)n2c1CCCC2)c1ccccc1 146106961 NCGJVPOCYDQZMB-UYAOXDASSA-N 409.530 3.566 0 1 HHAF CC[C@](C(=O)NC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21 201004915 GNTBTYMOCOFKNB-HXUWFJFHSA-N 419.934 3.566 0 1 HHAF Brc1cnc(NCCc2ccccn2)nc1Nc1cc(C2CC2)[nH]n1 203008491 MRKOFNHZJMWMPX-UHFFFAOYSA-N 400.284 3.633 0 1 HHAF COc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1 299868957 SUZLQCNSEYYNFG-GOSISDBHSA-N 403.486 3.952 0 1 HHAF Cc1c(Cl)ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 586943149 VMQUOEFMGOWDNM-UHFFFAOYSA-N 420.741 3.827 0 1 HHAF COC(=O)c1cc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1OC 587043847 WCLVBPULGFYFAS-INIZCTEOSA-N 417.874 3.667 0 1 HHAF COC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1OC 587127558 XERKFPCKALLLOU-UHFFFAOYSA-N 406.320 3.800 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(F)c2[nH]1 587193915 IKNDGEFYZPWXRF-GFCCVEGCSA-N 415.307 3.982 0 1 HHAF COc1cccc(C[C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587353544 QXRFKPLKBBFZJP-ZJSXRUAMSA-N 422.408 3.965 0 1 HHAF COCOc1ccc([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436779 TVUHMRHREKIVBM-HYBUGGRVSA-N 403.434 3.764 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)n2C)N1 587685569 ULPYQPNBCNRDQV-WPPNPWJKSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 587734447 RPGVLAAILASWQF-MLCYQJTMSA-N 405.246 3.932 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587744006 FVUJTUDEQSEDLF-DGIBIBHMSA-N 405.267 3.567 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cn(C)c3ccccc23)N1 587753267 AUNAODAVNQIBQC-GIPWTMENSA-N 417.278 3.942 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(Cc3cnc[nH]3)c2)N1 962691843 DISIAXKUGJKBGV-RTBURBONSA-N 419.378 3.847 0 1 HHAF CCOC(=O)c1cc([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)on1 962953894 KIAKUDOJZHMRPU-IBGZPJMESA-N 424.419 3.785 0 1 HHAF CC(=O)N(C)[C@H](C)[C@@]1(c2ccc3c(c2)OCO3)c2ccc(F)cc2C[C@@H]2CCCN21 963092483 KSFFCAXDHQFVQL-ZNSVGSLASA-N 410.489 3.685 0 1 HHAF CSC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963488910 GWDQGYYZBJOYKW-QFBILLFUSA-N 411.445 3.925 0 1 HHAF Cn1ccnc1CCO[C@@H](c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl 1772637417 ULBCSYUKODTPKF-HXUWFJFHSA-N 410.861 3.997 0 1 HHAF Cn1c(C(=O)NC2(c3ccc(C(=O)O)cc3)COC2)cc2c(Cl)c(Cl)ccc21 1857570334 VTCQBZIYGBVVGY-UHFFFAOYSA-N 419.264 3.839 0 1 HHAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@@H](C)[C@@]12O 2356560369 XFMQQRAGUVWJNG-KMOJWBFBSA-N 416.558 3.988 0 1 HHAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@](C)(O)[C@]2(C)C(=O)CCOC(=O)Cc2cc(O)ccc2O)C1 2356829639 JAPUOJHCQMSTEY-XGHYNWILSA-N 416.514 3.522 0 1 HHAF COc1ccccc1OCC(=O)n1cc(C(=O)c2cc(Cl)cc(Cl)c2O)cn1 2652820 FAIBIPUUIZOJSS-UHFFFAOYSA-N 421.236 3.854 0 3 HHAF CCCCn1nnnc1[C@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 72104360 ZLHVRSIJBYGXLS-NDEHPHGNSA-N 422.602 3.955 0 3 HHAF Cc1nn(C)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918357 JVUZXOHKBRAKFS-UHFFFAOYSA-N 404.352 3.611 0 3 HHAF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 118920366 CIZOGAIBGCZRCL-ZZYPCYOESA-N 420.590 3.745 0 1 HHAF CCc1nc(CN2C[C@H](c3cccnc3)[C@@H](C(=O)NCc3ccccc3Cl)C2)c[nH]1 103255109 XZMDNRBQKUIHKB-UXHICEINSA-N 423.948 3.553 0 1 HHAF COc1cc(-n2c(-c3ccc(Cl)cc3)cn(C(C)=O)c2=O)cc(OC)c1OC 29130277 RNOFTBIMGZJOEP-UHFFFAOYSA-N 402.834 3.645 0 1 HHAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 61907286 CTEUQGGTQSWELE-GOSISDBHSA-N 417.465 3.882 0 3 HHAF CCCCCOc1ccccc1C(=O)Nc1cccc2c1O[C@H](c1nnn[nH]1)CO2 27999001 ROHMBASLHILJFK-SFHVURJKSA-N 409.446 3.534 0 1 HHAF CN1CCN(c2nccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 36311419 JLFKBORRFRIWDY-UHFFFAOYSA-N 422.920 3.803 0 1 HHAF CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(=O)NC1CCCC1 213420878 WVUNKWULDOXHJH-NQIIRXRSSA-N 416.562 3.690 0 1 HHAF Cn1cc([C@@H]2CCC(NC(=O)CCc3ccc4cc(O)ccc4c3)=C(C(=O)O)C2)cn1 49048212 KINPGVXSEYCUPV-GOSISDBHSA-N 419.481 3.634 0 1 HHAF COc1cc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)ccc1F 220680206 VNTMVGFGGXWVQD-UHFFFAOYSA-N 422.460 3.689 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95873216 LSOIOBVNZPBSCS-RBZQAINGSA-N 408.517 3.654 0 1 HHAF CS(=O)(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140119727 OYPLQFHTAIYPJD-UHFFFAOYSA-N 416.506 3.699 0 1 HHAF CCOC(=O)CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792702 CELDKPIHAFTBFP-BBATYDOGSA-N 416.287 3.526 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O 587484006 HHTBPXJGYPXTSC-LJQANCHMSA-N 409.891 3.526 0 1 HHAF O=C1CC=C(c2nc3ccc(Br)cc3[nH]2)NN1Cc1ccc(F)cc1 587163293 KFVVJPJPXNGAJE-UHFFFAOYSA-N 401.239 3.743 0 1 HHAF COc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833055 FENDHDBESUCKQO-GIGQVBGESA-N 408.267 3.992 0 1 HHAF COC(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570087 KCWLHCUFSHBUIM-REWPJTCUSA-N 408.381 3.952 0 1 HHAF O=C(O)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1 587154213 MOXREZPFLJREQA-UHFFFAOYSA-N 411.414 3.868 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C 586932845 JRDCGGHRDIVBJG-NSHDSACASA-N 423.764 3.790 0 1 HHAF COC(=O)Nc1nc2ccc([C@]3(C4CC4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 587396726 OGQSPYQMDRYNHR-JOCHJYFZSA-N 406.442 3.903 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 587765000 HZIYOCQXHXFVKP-FKIZINRSSA-N 418.310 3.916 0 1 HHAF CCOC(=O)COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587535771 NSSXJNMBXFRSID-HXUWFJFHSA-N 424.449 3.943 0 1 HHAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586957891 FFTSFJAWBOLGAS-HNNXBMFYSA-N 419.812 3.704 0 1 HHAF Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 587651535 VXAFHILADUELFI-UHFFFAOYSA-N 407.651 3.840 0 1 HHAF CCC[C@]1(c2c[nH]c(C(=O)NCc3ccc(F)cc3)c2)NCCc2c(C)ccnc21 963068788 CMOJHOBLDDYMQI-XMMPIXPASA-N 406.505 3.977 0 1 HHAF C[C@@]1(c2ccc(F)cc2S(C)(=O)=O)NC2(CC2)Cc2ccc(Br)cc21 961614279 KIIBVPBTGFLYDK-SFHVURJKSA-N 424.335 3.934 0 1 HHAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3C2CC2)N1 962701459 QYSFXTHRQHLTQA-URHWRWMGSA-N 412.427 3.818 0 1 HHAF C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963017662 DEXVRWPAZCXVMA-FQZPYLGXSA-N 415.534 3.542 0 1 HHAF Cc1cc(-c2nc3ccc(N4CCOCC4)cc3n2Cc2ccccc2)cnc1O 1772598216 KMLRFJOPRVODEK-UHFFFAOYSA-N 400.482 3.997 0 1 HHAF C=C(c1ccc(OC)c(OCC(=O)OCC)c1)c1cc(OC)c(OC)c(OC)c1 1857544878 RAWXFWNCZZFPEM-UHFFFAOYSA-N 402.443 3.724 0 1 HHAF Cc1ccc(-n2nnnc2-c2ccc3c(c2)N(C2CCCC2)[C@@H](C)C(=O)N3C)cc1 1857590686 WBDWZZQCGGSYBS-INIZCTEOSA-N 402.502 3.752 0 1 HHAF CN(C1CCCC1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1 1857763436 HSMOYBVLFZAASK-UHFFFAOYSA-N 412.433 3.919 0 1 HHAF COc1cc(Br)c(CCNC(=O)COc2ccc(C)cc2)cc1OC 716188 UNXZCUGZWZYVCE-UHFFFAOYSA-N 408.292 3.512 0 1 HHAF S=C(NCCc1ccccc1)N/N=C/c1c[nH]c2ccc(Br)cc12 3241403 VDTWJSLSHPRRFZ-WSDLNYQXSA-N 401.333 3.971 0 1 HHAF Cc1ccc(CNC(=O)[C@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)o1 6916523 LCZVUSLEMRPSDD-KRWDZBQOSA-N 404.470 3.583 0 1 HHAF CC(C)[C@@](O)(Cn1cncn1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 26009512 BGVBEHUAEVCURQ-IBGZPJMESA-N 406.313 3.908 0 1 HHAF O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1SCCS1 28259504 KNIHQNCUSQOEJP-DLBZAZTESA-N 406.573 3.585 0 1 HHAF CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(N3CCN[C@H](C)C3)cn2)n1 64527075 RPSMUTSVMKSFIZ-CYBMUJFWSA-N 412.929 3.580 0 1 HHAF COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)cc3OC)n2)c(OC)c1 66099745 WBHMFKCPRRMZCM-UHFFFAOYSA-N 409.442 3.803 0 1 HHAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 82083822 NZPOVARPRPCXED-ZDUSSCGKSA-N 410.923 3.942 0 1 HHAF CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](O)C(F)(F)F 96177805 NVRIZFZJZGOIOM-HIFRSBDPSA-N 423.443 3.528 0 1 HHAF C/C=C/C(=O)N[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1 100942062 AXDJCFLQRCIEQQ-ZVAUEBCSSA-N 406.526 3.998 0 1 HHAF Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 114346618 RCBPCGVUXHCRAA-UHFFFAOYSA-N 411.465 3.902 0 1 HHAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Br 149923571 QQRAUORHUJEMBP-AWEZNQCLSA-N 411.687 3.802 0 1 HHAF CC[C@]1(OC)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@]42CN(C)C1 238742222 PHYQKWIULCXYSF-UJCVZYHKSA-N 403.563 3.777 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@@]12C 253635786 SZDSCLOAPYDVBU-HOIOJTKNSA-N 402.579 3.513 0 1 HHAF O=C(Cc1c[nH]c2ccccc12)NCCCCNC(=O)c1cc(-c2ccccc2)on1 473089740 SWTLRJSWDURMFM-UHFFFAOYSA-N 416.481 3.692 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(Cl)c2[nH]1 586946850 TZGZEIFLLLUGGL-ZDUSSCGKSA-N 405.907 3.649 0 1 HHAF FC(F)(F)c1ncc2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2[nH]1 586997246 BGVYJJHFPZISKD-UPHRSURJSA-N 413.153 3.985 0 1 HHAF O=C(O)c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1F 587018518 FSEWNPPCBGEMMO-UHFFFAOYSA-N 411.414 3.886 0 1 HHAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)s1 587023522 FQGJJOOMBJCPAI-UHFFFAOYSA-N 415.397 4.251 0 1 HHAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587033992 LESWSGCMBZIZIK-SNVBAGLBSA-N 400.895 3.856 0 1 HHAF COC(=O)c1ccnc2[nH]c(/C=C\c3cccc(I)c3)nc12 587183949 LTLFKRFMASKMCD-WAYWQWQTSA-N 405.195 3.520 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 587403849 LYAMERLQXSVXNZ-DEOSSOPVSA-N 401.418 3.750 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C1(C)C 587474644 GURHAMOSUVHQCJ-JOCHJYFZSA-N 403.475 3.995 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CCC(=O)OCC)C(=O)OCC)CC2=O 587481361 LRKQKWFMMPDORR-KSFYIVLOSA-N 406.475 3.591 0 1 HHAF CCOc1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522779 HRIZJPBUDWJXQX-RUZDIDTESA-N 422.477 3.957 0 1 HHAF CCNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574273 WOGYJUGWKNJSQW-ZJSXRUAMSA-N 419.433 3.610 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)c1ccccc12 587614888 VPNBBESPPXWOQG-REWPJTCUSA-N 422.458 3.817 0 1 HHAF Cc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655451 HQIGEPAFESTCRD-UHFFFAOYSA-N 419.387 3.929 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 587794060 SOOLGAZBVLSDLH-BIBXISHDSA-N 401.279 3.659 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)s2)N1 587844873 CJRGKVPWTAYISC-ZMZPIMSZSA-N 410.356 3.683 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cc(O)nc(S)n1 587866431 DBWWFEWAQGQUAZ-UHFFFAOYSA-N 424.404 3.635 0 1 HHAF O=Cc1c(Cl)[nH]c([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1Cl 962980468 UTUWKARHEFTUHH-UFBFGSQYSA-N 409.603 3.754 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)C2(CCN(c3ccc(F)cc3F)CC2)N1 963218059 BQEIQPVWPKUHKS-HXUWFJFHSA-N 409.436 3.608 0 1 HHAF CCCCc1nc(=O)c(Cc2ccc(OC)cc2)c(O)n1-c1c(OC)cccc1OC 1911571855 COQJEZJXUKTIIN-UHFFFAOYSA-N 424.497 3.897 0 1 HHAF O[C@H]1c2ccccc2[C@@H](O)c2nnn(-c3cc(F)c(-c4ccccc4F)c(F)c3)c21 1911575997 YQBDIPLMHJBTGF-YADHBBJMSA-N 409.367 3.828 0 1 HHAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNS(=O)(=O)c2cccc(F)c2)C=C1C 2356313132 RAUAATRSDSXCBN-QKLQHJQFSA-N 411.539 3.912 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@@H](C)[C@H](C)C2 2356410926 FQZMTUCBAKMGJM-LIBAHTEVSA-N 404.459 3.661 0 1 HHAF CC(=O)O[C@H]1[C@@H](C)C[C@H]2[C@@H](C)CO[C@@]3(C)CC[C@@H](OC(C)=O)C(C)=C[C@H]4O[C@H]3[C@H]2[C@@H]14 2356825238 HQXPXVYAHKHRLK-ORKHRQSJSA-N 420.546 3.671 0 1 HHAF CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccco1 4965216 XMTPQFVIDNVFEX-ACJLOTCBSA-N 416.478 3.569 0 3 HHAF Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 5035680 MAFVSKGUDFHXDU-GOSISDBHSA-N 409.511 3.583 0 3 HHAF CNC(=N)NCC[C@]1(O)CC[C@@H]2[C@@H]1C[C@H](C1=CCC[C@@H]3CCCC[C@H]13)CC[C@@]2(C)O 2356355855 IANOPMUQDBFUEJ-GAYKAUTNSA-N 417.638 3.955 0 1 HHAF CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NC)CC(C)(C)O2 2487704 UZNURJRVVIWOKI-IEBWSBKVSA-N 417.550 3.639 0 1 HHAF COc1cccc(-c2noc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)c1 59201516 JFRFKHKFUJNKGC-UHFFFAOYSA-N 420.513 3.643 0 3 HHAF CC1=C(C(=O)OC(C)(C)C)C(c2[nH]cnc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1 103222111 NEQQBPZVPQRJGG-UHFFFAOYSA-N 409.914 3.981 0 1 HHAF CCC(=O)Nc1ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c(OC)c1 26825941 BWHYXVPBNGYTTB-UHFFFAOYSA-N 423.557 3.823 0 1 HHAF CSc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1 118176709 UHLOFOLYVLPASJ-UHFFFAOYSA-N 422.514 3.741 0 1 HHAF C[C@H](c1ccc(F)cc1)N([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 28957755 WOOFTKZTKCJEBG-AUUYWEPGSA-N 424.925 3.900 0 1 HHAF O[C@@H](COc1ccc(Cl)cc1)CN1CCN(Cc2c(F)cccc2Cl)CC1 22922563 VUWRTTSLNQNZQS-MRXNPFEDSA-N 413.320 3.690 0 1 HHAF CN(C)[C@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)NCCc1ccccc1 2356846869 ORFLRICCQMJVAN-HXUWFJFHSA-N 414.347 3.762 0 1 HHAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccn2)s1 35848117 HMBGJHCWZLRYIN-SIKLNZKXSA-N 404.539 3.640 0 1 HHAF O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1 36351698 HGDHOXOLIYZFJB-UHFFFAOYSA-N 405.586 3.602 0 1 HHAF COC[C@H](Cc1ccc(OC)c(OC)c1)[C@H](COC)Cc1ccc2c(c1)OCO2 14437710 XNNGPIAYZKIQAH-OALUTQOASA-N 402.487 3.743 0 1 HHAF biogenic COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4ncsc4c32)cc(OC)c1OC 71329858 GXCKPRUSAAMPMT-INIZCTEOSA-N 410.451 3.690 0 1 HHAF CN(c1ccc([C@](O)(c2ccc[nH]2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84605383 YEYQMXNOVYDPJP-SFHVURJKSA-N 410.417 3.638 0 1 HHAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCCCCN(C)C)cc1 199944614 PRHLEXOVXVVUTM-UHFFFAOYSA-N 406.596 3.527 0 1 HHAF CC(C)(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196270 LNZZVURXABQATH-UHFFFAOYSA-N 424.467 3.875 0 1 HHAF O=C(O)Cn1c(-c2csc(NC(=O)c3c(F)cccc3F)n2)nc2ccccc21 96915277 PYPOILCIIZQJHF-UHFFFAOYSA-N 414.393 3.775 0 1 HHAF CCOC(=O)C1=CC[C@H](c2cc3ccc(OC)cc3n2C(=O)OC(C)(C)C)NC1 95566492 FKLOABSRLJRGDN-QGZVFWFLSA-N 400.475 3.957 0 3 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cncc3ccccc23)CC1 254141732 DJYIPFDEPXSPEY-MOQCSKSOSA-N 417.509 3.763 0 1 HHAF COC[C@@H](NC(=O)Nc1ncc2c(-c3ccnc(F)c3)n[nH]c2c1F)c1ccccc1 261175824 UVFZUSIEXMKHEG-OAHLLOKOSA-N 424.411 3.807 0 1 HHAF CCc1oc(OC)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(=O)c1C 60274310 PBPNYHLWMORBRT-UHFFFAOYSA-N 416.470 3.938 0 1 HHAF biogenic O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473180508 WQUYEVUFAVZURZ-LIVBEALHSA-N 422.435 3.889 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587743020 CIIWENJEDHQLOT-APBUJDDRSA-N 405.315 3.711 0 1 HHAF COC(=O)[C@@H]1SC[C@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587374793 QMLVEWURRJHTHR-OOGJRPINSA-N 402.443 3.554 0 1 HHAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O 587417753 PTWCNFUXFBPNPL-WSEVJFLQSA-N 415.287 3.571 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)cnn2C)N1 587680769 QIPZXOXAMVMKNT-AYVTZFPOSA-N 417.120 3.882 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(F)cc1F 587868033 IJFRGYYFTPTPKF-UHFFFAOYSA-N 413.302 3.970 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c(C(=O)OC)cc(C=O)n13)CC2=O 587488638 RFHZTHZVROUFIG-OAQYLSRUSA-N 407.422 3.903 0 1 HHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(Cl)c2[nH]1 586961703 LCXCBDSOLKZMFX-YFKPBYRVSA-N 400.689 3.910 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCC[C@H]1C(C)=O)N(C(=O)c1ccccc1N)CC2 963142712 LBWPQGNIOOKSEN-UUOWRZLLSA-N 408.498 3.569 0 1 HHAF Cc1nc2cc([C@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)ccn2c1C 962676833 ZZBSKXUHUULFRN-XUZZJYLKSA-N 400.482 3.687 0 1 HHAF Cc1c2c(nn1C)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)N[C@@H](C(=O)O)C2 962705837 FLCAHCIABAFSAZ-RDTXWAMCSA-N 406.269 3.984 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@@](c3cccc(Cl)c3)(c3cccnc3N)c3cccc1c32 963017467 CQGJKWIUURNXEH-QKFKETGDSA-N 404.901 3.662 0 1 HHAF Cc1nc2ccc(CNc3ccc(S(=O)(=O)c4ccccc4)cc3)cc2c(=O)[nH]1 13746776 XBUNPPGKAFQPRR-UHFFFAOYSA-N 405.479 3.676 0 1 HHAF COCC[C@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14991587 HSALWFSLZPIPKQ-XXBNENTESA-N 418.603 3.798 0 1 HHAF CC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1 169307323 RBJYDRGEMNDYMP-UHFFFAOYSA-N 406.446 3.554 0 1 HHAF O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 169727230 BOOKXOVMQLQATB-XXBNENTESA-N 414.461 3.734 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCCNC3)C2)cc1)N1Cc2ccccc2C1 166894048 FHHDOGFQQYKFEP-RUZDIDTESA-N 418.541 3.840 0 1 HHAF Cn1cc(-c2cc(F)ccc2F)c2ccc(S(=O)(=O)Nc3ncns3)cc21 205427482 UUBSWOVGENYAEX-UHFFFAOYSA-N 406.439 3.776 0 1 HHAF Cc1cc(C)nc(Nc2ncc(C(=O)NCC(=O)c3c(C)[nH]c4ccccc34)cn2)c1 1857549141 CCFXOWYKVYVBOO-UHFFFAOYSA-N 414.469 3.634 0 1 HHAF CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1 1857567188 SAKSBCIKFGAPLR-BKFWDETESA-N 411.590 3.925 0 1 HHAF COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@@H](CC(=O)OC)[C@H]21 1858479 BLCGEGXEZPZFNQ-QVKFZJNVSA-N 404.422 3.547 0 1 HHAF O=C1CCN(C[C@@H]2c3ccoc3CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 13737726 AJKUPPVEURAWOP-GOSISDBHSA-N 407.297 3.530 0 1 HHAF COc1ccc(C2=NN(Cc3cccc(C(=O)O)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26507176 ITLJCTJVLVIKBE-RTBURBONSA-N 422.481 3.955 0 1 HHAF COc1ccc(CNc2nc(N[C@H]3CCCC[C@@H]3O)nc3c2ncn3C(C)C)cc1 26649038 XSZUUWVULVZGON-ROUUACIJSA-N 410.522 3.743 0 1 HHAF O=C(c1ccccc1F)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 27558068 NHPMGBFDAPCAMB-UHFFFAOYSA-N 406.392 3.579 0 1 HHAF C[C@H]1[C@H](c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1(=O)=O 34960745 ITYMMRKSCDTSQX-HTAPYJJXSA-N 401.528 3.847 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@](C)(c3ccccc3)C[C@@H]2C1 36093048 CNZZVIOBKWRMHA-SAHWJRBASA-N 413.949 3.855 0 1 HHAF CC(C)C[C@@H](NC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 40587799 PMHNFWJIPVUVTO-JFIYKMOQSA-N 422.547 3.653 0 1 HHAF NC(=O)c1ccc(-c2cnc(NC[C@@H](N)Cc3ccc(C(F)(F)F)cc3)s2)cc1 49426950 BHMIRPVVPZIEGW-INIZCTEOSA-N 420.460 3.910 0 1 HHAF CN(C)CCNC(=O)c1ccc(-c2cc(-c3cc(F)c(F)c(F)c3)cnc2N)cc1 84670877 QKIMROHPRCZMTD-UHFFFAOYSA-N 414.431 3.707 0 1 HHAF CCOc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4oc3=O)o2)cc1 103195824 WMMVOZUNERAUAA-UHFFFAOYSA-N 423.450 3.973 0 1 HHAF O=c1ccc(-c2ccc(Cl)cc2)nn1CCN1CCN(c2ccc(F)cc2)CC1 103199295 OMVQBQINUJQERS-UHFFFAOYSA-N 412.896 3.525 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 104634672 OFKNZQVVDSXAEA-CARQPFCESA-N 418.537 3.943 0 1 HHAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(-c5ccccc5)on4)nc3n2C1 147082551 JSBSVYKRXJJWRJ-UHFFFAOYSA-N 415.453 3.713 0 1 HHAF NC[C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1ccc(Cl)cc1Cl 169312796 NDSVZMNIJRLJLO-YOEHRIQHSA-N 421.324 3.856 0 1 HHAF CNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709658 GPQPWMTVNNBKFG-HRAATJIYSA-N 410.518 3.518 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC[C@H]1CC(C)(C)N([O])C1(C)C)O2 205778541 IOEUCWATYILOFJ-WAIKUNEKSA-N 403.543 3.742 0 1 HHAF NC1=N[C@](CF)(c2cc(Oc3ncccc3F)ccc2F)C[C@@H](C(F)(F)F)O1 224223129 PZOIBDWDOFHTCP-XJKSGUPXSA-N 405.298 3.983 0 1 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC[C@@H](C(=O)N2CCC2)CC1 473245317 YEAAVZPYQSWLQQ-DGYXAIABSA-N 424.585 3.872 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587040530 NNOYMWASBNKXQI-KRWDZBQOSA-N 411.483 3.621 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 587125459 FRAHACZKSSOEFS-LHLIQPBNSA-N 401.190 3.891 0 1 HHAF NS(=O)(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128306 KNRBFYUIEFFTBN-UHFFFAOYSA-N 406.439 3.938 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(Br)ncc2[nH]1)C[C@@H]1CCCO1 587196611 UBVWAFFQEZRUHN-NSHDSACASA-N 411.300 3.637 0 1 HHAF Cn1cnc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509059 XFTKWRYLWOIPPL-CQSZACIVSA-N 408.239 3.610 0 1 HHAF CCOC(=O)[C@@H]1Cc2ccncc2[C@]12NC1(CC1)Cc1ccc(Br)cc12 961611861 DTNMVYSVHZJLQM-LAUBAEHRSA-N 413.315 3.501 0 1 HHAF O=c1c(OCc2nn[nH]n2)c(-c2ccc(F)cc2)oc2cc(Cl)cc(Cl)c12 1857583117 DUMWWQXVBADFRZ-UHFFFAOYSA-N 407.188 3.998 0 1 HHAF Cc1ccccc1-c1cc(C(=O)NCC2CC2)n(C[C@H]2CC(c3cccnc3)=NO2)n1 36387842 MXXPBHVWTCAZMV-LJQANCHMSA-N 415.497 3.587 0 3 HHAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 61896064 YMGAFLMAYCXRJO-QFIPXVFZSA-N 401.466 3.959 0 3 HHAF COc1ccccc1[C@@]1(O)OC(=O)C(c2ccc3c(c2)OCO3)=C1Cc1ccccc1 13761453 KDCDOLUMTVGNHE-RUZDIDTESA-N 416.429 3.822 0 1 HHAF CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN(C)c2ccccc2)cc1 43527542 FCAWDWYSBDZJHY-ZFGGDYGUSA-N 420.557 3.858 0 1 HHAF biogenic COc1cc(OC)nc(NCCCn2c3c(c4cc(C(=O)O)ccc42)CCCC3)n1 73161894 CAONYZDRBWENHA-UHFFFAOYSA-N 410.474 3.528 0 1 HHAF COc1cc2nc(N3CCOCC3)nc(NCCCCc3ccccc3)c2cc1OC 82129684 SMHJXUAVBFEENZ-UHFFFAOYSA-N 422.529 3.918 0 1 HHAF COCCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1 82132751 BZCYTDRIRCDOFQ-UHFFFAOYSA-N 420.513 3.573 0 1 HHAF Cc1nn(Cc2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)c(C)c1CC(=O)O 169703220 RWRLFEXYUQHDNW-UHFFFAOYSA-N 402.454 3.909 0 1 HHAF COc1nc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 207361958 QATMYBCFWXFYLG-UHFFFAOYSA-N 413.481 3.509 0 1 HHAF N[C@@H](N=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587118456 NEKRFQLIKKHBKZ-ZDUSSCGKSA-N 417.189 3.507 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2cc1OC 587122308 BMXBUPSNQFNMIY-RTHLEPHNSA-N 409.368 3.529 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587226520 ZPLIMTSISLJWMH-UHFFFAOYSA-N 402.838 3.723 0 1 HHAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)c(O)c1 587240565 KPEYQUWDIRAETD-UHFFFAOYSA-N 400.438 3.524 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4N/C1=C/Cl)[C@@H](C2)C3=O 587421308 LAPOLYCVLSLHFX-UMRVYQCQSA-N 410.857 3.807 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439441 AQKHJAWOAIJSNU-CJAUYULYSA-N 422.477 3.786 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1nc4c(cc1C)N(C(=O)C(C)(C)C)CCO4)[C@@H](C2)C3=O 587445635 XERXEKMPQFHGKI-YCRPNKLZSA-N 422.481 3.659 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2C)N1 587681961 SOVRAOYNUCZYAO-WPPNPWJKSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587709722 NTIAGUBZSYKRKN-AYVTZFPOSA-N 404.205 3.736 0 1 HHAF Nn1c(SCC(=O)c2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 958059132 JUDDHEZYBYOGJO-UHFFFAOYSA-N 405.932 3.679 0 1 HHAF O=C1C[C@@H](c2c(F)cccc2Cl)C[C@@]2(C1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962902797 SVRXTLNGJLMNDB-NWXLUKJOSA-N 405.828 3.949 0 1 HHAF COc1nc(C2=NOC[C@H](c3cc4ccccc4s3)N2)ccc1-n1cnc(C)c1 1772644485 AVMGIHDBQNADGG-MRXNPFEDSA-N 405.483 3.822 0 1 HHAF C=CC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cc12 1911577853 DXGCNUCUVPATCU-UHFFFAOYSA-N 412.453 3.782 0 1 HHAF COc1cc(C[C@H](C)[C@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)cc(O)c1OC 2356380865 SYAQUKRBBRLVBT-KQHSUYLTSA-N 406.475 3.681 0 1 HHAF COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)cc1C 13636666 BCZHNLGHJAKJTF-SFHVURJKSA-N 420.513 3.707 0 3 HHAF CCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(CC)CCN(C)C 61896459 HGKWCNBHNZCWKJ-UHFFFAOYSA-N 409.534 3.546 0 3 HHAF CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O 1483345 VRAJWAGCJIXJHQ-WCQYABFASA-N 422.254 3.959 0 1 HHAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)[C@@H]1c1c[nH]c2ccccc12 2469326 CKRQPQXSVGLEIO-GOTSBHOMSA-N 410.477 3.790 0 1 HHAF CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C 6357704 ALCGUZLBKILMTQ-COPCDDAFSA-N 411.546 3.747 0 1 HHAF O=C1NCCN1CCN1CCC([C@H]2CN(c3ccc(F)cc3)c3ccccc32)CC1 13489972 MJIFNEGWZJIOKW-JOCHJYFZSA-N 408.521 3.798 0 1 HHAF CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 26145312 HDYAWNAYZSXPPS-QFIPXVFZSA-N 407.514 3.820 0 1 HHAF COC(=O)C(Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)OC 27101582 ULSSWORINRDNHT-UHFFFAOYSA-N 408.450 3.802 0 1 HHAF O=C(Nc1cccc(Br)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523342 WDCXLHAUHFGKOF-RTBURBONSA-N 415.335 3.671 0 1 HHAF COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@@H]3CC=C(CO)[C@H](CO)[C@]32C)cc1 28824968 ZICOXVOWIQIQPH-DFQKUXNPSA-N 414.542 3.994 0 1 HHAF CCO[C@H]1C[C@@H](c2ccccc2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40914594 LLYAOCTXYWTOMZ-HKUYNNGSSA-N 414.893 3.849 0 1 HHAF O=C(NCC1CC1)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1F 82151713 AHDFGNYOCSSEMC-UHFFFAOYSA-N 420.444 3.763 0 1 HHAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3[nH]ccc3c2)n1 84705425 TYYAAEQUZWYPCD-UHFFFAOYSA-N 403.511 3.953 0 1 HHAF Cc1ccccc1-c1c(CSc2ncnc3[nH]cnc23)nc2cccc(C)n2c1=O 114790292 PPRKCQWYQAAKMF-UHFFFAOYSA-N 414.494 3.937 0 1 HHAF O=C(N1CCC[C@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1)C(F)(F)F 118622339 UCHAXPSQCWMIER-AWEZNQCLSA-N 401.392 3.802 0 1 HHAF CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(C)(=O)=O)cc4F)c3)cnnc21 150014887 JBBFRNSUQWIIQO-UHFFFAOYSA-N 414.437 3.862 0 1 HHAF COc1cc(/C=C/C(=O)N[C@@H]2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC 169348270 ZLPWVTHBSSSFTI-YCABEKBOSA-N 406.482 3.881 0 1 HHAF NC1CC(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3cccnc3)O4)s2)C1 169710670 FSKLDOKFSNGRQM-LADRWXRNSA-N 422.510 3.616 0 1 HHAF COc1ccnc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1 201560223 ZFKFLURPSKRLNF-UHFFFAOYSA-N 418.457 3.615 0 1 HHAF CC1=CCC[C@H]2[C@@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CC[C@H](C)CCO 238758668 DQBYZULBDHLLAH-TXIYWMGPSA-N 424.578 3.943 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 299880970 NEAVIXCFIBOSNW-CFSSXQINSA-N 403.885 3.637 0 1 HHAF COc1nc(-c2ccc(OC)c3nc(C)ccc23)nc(=NCCc2ccc(F)cc2)[nH]1 473179225 ADWNPCKKPAZCGE-UHFFFAOYSA-N 419.460 3.628 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(O)cc2[nH]1 586934597 BZVBXEKOXKFIPH-MRXNPFEDSA-N 405.545 3.658 0 1 HHAF Oc1c(Br)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967234 RJHWHMLABAZKCF-UHFFFAOYSA-N 404.249 3.768 0 1 HHAF CCOc1n[nH]c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1Br 586979650 SWGBOHWKFOPCJF-UHFFFAOYSA-N 411.569 3.528 0 1 HHAF COC(=O)c1cccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c12 586985619 WOKIXFZGFWZJJI-INIZCTEOSA-N 416.275 3.532 0 1 HHAF C[C@]1(c2nc3ccc(I)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174200 NXKAHZKRYOQTQR-QGZVFWFLSA-N 422.197 3.935 0 1 HHAF Cc1ccc2c(ccc3nc([C@H](CC(=O)O)NC(=O)OCc4ccccc4)[nH]c32)n1 587204244 WROLJSIUSITHHR-SFHVURJKSA-N 404.426 3.862 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594107 LBJDDPZXVDGTOM-QNZXLTBCSA-N 423.465 3.835 0 1 HHAF C[C@@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595707 QFIKNYUVEGECDM-RDPSFJRHSA-N 414.417 3.523 0 1 HHAF O=C(c1ccc2n[nH]cc2c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658414 PPXWXWTVEPFPJN-UHFFFAOYSA-N 402.360 3.907 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCC(=O)O)N1 587789773 CSNDFACNFMJJGJ-JEOXALJRSA-N 408.267 3.849 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833702 ORMDSCXVTKEOOL-UHYGZKCKSA-N 414.315 3.840 0 1 HHAF C=CC(=O)Nc1cccc(-c2noc3ncnc(N[C@H](CO)c4ccccc4)c23)c1 1857548653 RATDPSGRLABQHT-QGZVFWFLSA-N 401.426 3.555 0 1 HHAF Cc1cccc(-c2nnc3ccc(N4CCN(Cc5ccc(F)cc5)CC4)nn23)c1 1857596979 YVTLATBMJOEFFI-UHFFFAOYSA-N 402.477 3.561 0 1 HHAF c1ccc(OCc2cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)nn2)cc1 1857603775 CITIFETZPWRFSE-UHFFFAOYSA-N 409.453 3.753 0 1 HHAF COc1cccc(CCc2nnc(CCC(=O)N3CCC[C@H]3c3nccs3)o2)c1 13593129 CDBJRBFIVNEHPI-KRWDZBQOSA-N 412.515 3.616 0 3 HHAF O=C(NCCCN1CCCC1=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 6935627 XNCMRSLUGPBEBH-UHFFFAOYSA-N 414.937 3.672 0 1 HHAF N=C(N)c1ccc(CNC(=O)Cc2c(F)ccc(NCCc3ccccc3)c2F)cc1 13527418 MUVZWQIUHJRCSL-UHFFFAOYSA-N 422.479 3.762 0 1 HHAF Cn1cc2c(nc(NC(=O)Nc3cc4ccccc4o3)n3nc(-c4ccco4)nc23)n1 13683614 VGGMXMHOGPXDTQ-UHFFFAOYSA-N 414.385 3.661 0 1 HHAF O=C(CCNC(=S)Nc1ccc(Br)cn1)c1c(F)cccc1F 14943886 BOOFKKBANNNNAY-UHFFFAOYSA-N 400.248 3.682 0 1 HHAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1ccc(C)cc1 28702139 AZUAPEPASMOWRY-IBGZPJMESA-N 408.458 3.746 0 1 HHAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(OC)c1 45211187 WONRPDPFXYVGSU-UGSOOPFHSA-N 411.420 3.755 0 1 HHAF COc1cc(-c2cc(=O)oc3cc(OC)c(OC)c(OC)c23)cc(OC)c1OC 49793222 YKYVMHSVOKUXSX-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF O[C@@H](CNCCNC1CC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181372 YAAWHQWIEPUSEU-AWEZNQCLSA-N 407.358 3.647 0 1 HHAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1 82147537 KRUBEVILUNYORK-UHFFFAOYSA-N 416.525 3.951 0 1 HHAF O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 95894463 NRCUBNRGHKUPJF-BHDDXSALSA-N 423.488 3.723 0 1 HHAF O=C(O)C12C[C@H]3C[C@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 100508000 QLDVYFYGXPIVHC-KILAXVPQSA-N 413.905 3.889 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)[C@H](O)C2 100640416 NFAGEMWHQMZYBN-XTQVGHSUSA-N 419.562 3.703 0 1 HHAF C[C@@](O)(CN(C1CCC1)S(C)(=O)=O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148369259 QOMOAQULTDEWCZ-NRFANRHFSA-N 422.497 3.638 0 1 HHAF O=C(NCc1cccnc1)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 195451311 UUXOCTNHZXOEGT-LTDCPUDJSA-N 415.415 3.794 0 1 HHAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)[C@H](C)c1ccccc1F 198928625 LNMIQRQVCNYWJI-GFCCVEGCSA-N 405.476 3.773 0 1 HHAF O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C[C@@H]1CC1CCCC1 217110919 LNVCGHMUIKAFSF-QGTUIOLUSA-N 409.570 3.961 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1)N1CCC1 586954942 BKAGEDPRDBTASL-UHFFFAOYSA-N 417.705 3.980 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C(O)O)[C@H]1c1ccc(F)cc1 587326778 DAZOADRDBISNII-SIKLNZKXSA-N 414.816 3.750 0 1 HHAF CN(C)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352057 VWSSCCKVZIIXCY-XUZZJYLKSA-N 418.424 3.804 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC 587771959 UTUGUHRSRXWHIG-JDNHERCYSA-N 411.271 3.633 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 587775249 RQABNWPVHYMVGQ-XCLFUZPHSA-N 420.326 3.618 0 1 HHAF COC(=O)COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587798765 ZEXCQDSMBQCVOK-JEOXALJRSA-N 408.267 3.764 0 1 HHAF COC(=O)C[C@H]1N=C(c2cc(C)ccc2C)c2cc(OC)ccc2-n2c(C)nnc21 653699341 AQOZPIQAURHKLC-LJQANCHMSA-N 404.470 3.656 0 1 HHAF CC(C)(C)c1cc(NC(=O)n2ccc3ncc(Oc4ncnc5c4CNC5)cc32)no1 653835844 GRDAAEXRAZQQNG-UHFFFAOYSA-N 419.445 3.588 0 1 HHAF O=C(O)c1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)ccc1O 962638090 KIOSTTVPAPXJIB-HYBUGGRVSA-N 400.478 3.927 0 1 HHAF COc1ccc(Cn2cc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cn2)cc1 962775148 ZHGAVBCEVSBFRT-PMACEKPBSA-N 415.415 3.675 0 1 HHAF CN1CCc2c(Br)cccc2[C@]12C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 963290457 VZZDRJHPXZCKSD-XUVXKRRUSA-N 406.320 3.612 0 1 HHAF Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4ccc(Cl)cn4)cc3)n2)cn1 1911583725 OQAJFASGBAFYQH-UHFFFAOYSA-N 421.848 3.552 0 1 HHAF CC[C@@H](C)C(=O)Nc1nc2c([nH]1)C[C@@H](c1cnc(NC(=O)c3ccccc3)[nH]1)CC2 2356790559 FSEAGKJOZOEDRV-HIFRSBDPSA-N 406.490 3.642 0 1 HHAF CC1CCN(C(=O)c2ncn(Cc3ccccc3)c2C(=O)N2CCC(C)CC2)CC1 61949456 YRFKQLLVMNJLNU-UHFFFAOYSA-N 408.546 3.676 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 72137882 UJGFKHCUQASJRB-IBGZPJMESA-N 405.903 3.884 0 3 HHAF CCOC(=O)NC(Nc1ccc(C(=O)OCC)cc1)(C(F)(F)F)C(F)(F)F 1644558 WPEQIOGQRUGNDM-UHFFFAOYSA-N 402.291 3.842 0 1 HHAF O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2[nH]c(-c3ccccc3)nc2c1 2468072 GABJJQGZNIAHNG-UHFFFAOYSA-N 407.451 3.802 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(CCCCc2ccccc2)CC[C@@]314 101189940 QUEDELDXIVCSTN-WOTGAKFBSA-N 417.549 3.983 0 1 HHAF CC(C)n1cnc2c(NCc3ccc(Cl)cc3)nc(N3CCC[C@H]3CO)nc21 27407093 KMXQXOQQGANJGB-INIZCTEOSA-N 400.914 3.634 0 1 HHAF COc1cc(CNC(=O)c2cc(-c3cc(F)ccc3OC(C)C)[nH]n2)cc(OC)c1 61927357 MIZITFZGTKQODF-UHFFFAOYSA-N 413.449 3.950 0 3 HHAF COc1cc(CCN2CCN(CCCc3ccc(F)cc3)CC2)ccc1OCCF 73165827 JDEPOZXGNBBGMI-UHFFFAOYSA-N 418.528 3.976 0 1 HHAF O=C1NCc2ccc(OCCCN3CCN(c4cccc5cccc(F)c45)CC3)cc21 43194092 RVISYUPDXKKJLS-UHFFFAOYSA-N 419.500 3.813 0 1 HHAF COc1ccc(Nc2nc3c(Nc4ccccc4S(C)(=O)=O)cccn3n2)cc1 147074507 BTLYPRUGXBAEDI-UHFFFAOYSA-N 409.471 3.629 0 1 HHAF Cc1cc(OCc2cnnn2-c2cccc(O)c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 95596553 YTCSGXVVSCJXFT-MHALITNNSA-N 419.481 3.965 0 1 HHAF Nc1nccc(-c2cn(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc23)n1 299851720 JATHPXOHSNPYQB-UHFFFAOYSA-N 418.400 3.936 0 1 HHAF CC1=CS[C@@](OCC(F)(F)F)(c2ccc(Br)cc2)c2noc(=O)n21 299861236 HXZWMRQMVOIXHQ-AWEZNQCLSA-N 423.210 3.944 0 1 HHAF Fc1ccc(Cl)cc1CN1CCN(c2nc3cnccc3nc2NC2CC2)CC1 653667973 SZEKFAIEHFMLBA-UHFFFAOYSA-N 412.900 3.714 0 1 HHAF CC(C)[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198090 SRSLCUJLOXZJLR-LJQANCHMSA-N 401.555 3.879 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587075326 HQZSFAJLLDAOKN-QGZVFWFLSA-N 418.950 3.804 0 1 HHAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 587606202 CGIPYFOZDWDXIV-OFNKIYASSA-N 406.390 3.875 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797570 MGYMXWLVAJSNLA-WLRWDXFRSA-N 414.315 3.886 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)O)(c3cccc(Br)c3)C1)O2 587370046 ARXZGXYIKXQFLB-UHFFFAOYSA-N 416.271 3.860 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587763763 MFYXCRNEUZSXPA-XBFOYSJQSA-N 407.331 3.658 0 1 HHAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 587334841 ZHCPFWFSRJNXOA-QGZVFWFLSA-N 423.362 3.814 0 1 HHAF C[C@H](CCCCC(=O)O)[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705283 VQSGMEXRPZAYKE-LOTHZSBOSA-N 405.388 3.940 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962693055 BZLXJJHCRIBYBM-CECAUBDESA-N 407.551 3.953 0 1 HHAF CN(C)c1nc(Cl)nc2c1ncn2CCNc1ccnc2cc(Cl)ccc12 1772631739 KNIPECRKBFDOGV-UHFFFAOYSA-N 402.289 3.859 0 1 HHAF O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 5139909 RMHLYODVQGTMOO-FCHUYYIVSA-N 405.498 3.619 0 1 HHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCN(C)C 13586227 KLCPOECSBIOLBI-UHFFFAOYSA-N 413.522 3.993 0 1 HHAF Cc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 13809510 LVWPNNVLRVHGRO-FKLNCEEKSA-N 416.481 3.789 0 1 HHAF CN(C(=O)NCCC1CCN(C[C@H]2COc3ccccc3O2)CC1)c1ccccc1 13813666 ZWFOVLJNNFKCBE-NRFANRHFSA-N 409.530 3.775 0 1 HHAF CNc1nc(Nc2ccc(C(=O)N3CCC(F)(F)CC3)cc2OC)ncc1Cl 169705020 QSGNUYGGMMRYOX-UHFFFAOYSA-N 411.840 3.795 0 1 HHAF NC1CC(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3cccnc3)O4)s2)C1 169710669 FSKLDOKFSNGRQM-RJYAGPCLSA-N 422.510 3.616 0 1 HHAF O=C1N[C@H](c2ccccn2)CC[C@@H]1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 209076006 SQYMXIQFTGVGME-RDJZCZTQSA-N 403.404 3.647 0 1 HHAF O[C@@H](Cn1ccnc1)c1ccc(OCc2ccc(I)cc2)cc1 1857744537 APIPHCUPGSYYMY-SFHVURJKSA-N 420.250 3.800 0 1 HHAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4039075 FBADSMWPOHDRAR-AKFKNWHVSA-N 423.557 3.855 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(CCCCc2ccccc2)CC[C@@]314 29319665 QUEDELDXIVCSTN-DQTXXJETSA-N 417.549 3.983 0 1 HHAF O=C(O)c1cccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c1 40848805 UVLDRRPLRLGDDL-UHFFFAOYSA-N 415.037 3.868 0 1 HHAF CN(C)Cc1nc2c(sc3ccc(-c4ccc(OCCCN)cc4)cc32)c(=O)[nH]1 45300310 OKUXRVPIXCSROX-UHFFFAOYSA-N 408.527 3.594 0 1 HHAF CCCCOCCCNC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085673 RXJMDHQLBCIFEE-UHFFFAOYSA-N 423.513 3.890 0 1 HHAF CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(OC)cc3)cc2)C(C)=O)n(C)n1 103170302 VNYOEAFUTRDHCU-UHFFFAOYSA-N 407.470 3.972 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3cnccc3[C@@]12c1ccc(Cl)cc1 115095975 GZBWENPHBOHHSG-QFIPXVFZSA-N 407.832 3.687 0 1 HHAF COc1cccc(CN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)c1 116673571 RWMDANGYNUNCRE-UHFFFAOYSA-N 411.479 3.785 0 1 HHAF COC1CCC2(CC1)Cc1ccc(Oc3ccccc3)cc1[C@@]21N=C(N)N(C)C1=O 140742893 DVSMPRORXNHICB-KGMOOGKZSA-N 405.498 3.592 0 1 HHAF Nc1cc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)ccn1 146745847 NOIUQKMOVSFHCW-UHFFFAOYSA-N 400.417 3.761 0 1 HHAF Cc1cccc(OCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167328024 VJBCYPGNBSWHBZ-UHFFFAOYSA-N 403.482 3.565 0 1 HHAF O=C(NCCO)c1cccc(-c2cccc(OCCc3cc(F)cc(Cl)c3)n2)c1 169327843 DHDZMCZZSVJZDH-UHFFFAOYSA-N 414.864 3.885 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 169709799 DMBFTEKBXPUELI-IFXJQAMLSA-N 405.445 3.580 0 1 HHAF COC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1[C@@]21N=C(N)N(C)C1=O 201218059 OBMDTPCNLIHYNL-CKRJSAQMSA-N 424.932 3.516 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCC[C@@H](O)C1)C(=O)N2 219270679 UXFXOEGGFKVCDW-DVECYGJZSA-N 403.482 3.611 0 1 HHAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F 587149460 HFYURZUUVNUJCO-FQEVSTJZSA-N 404.380 3.985 0 1 HHAF Cc1nn(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br 587537973 CCRGHOWMYSIXDT-AUUYWEPGSA-N 415.243 3.900 0 1 HHAF C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583089 QCXQBUOCGZSNRK-FEQANGJYSA-N 409.482 3.613 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)n2C)N1 587685564 ULPYQPNBCNRDQV-CPFSXVBKSA-N 403.093 3.708 0 1 HHAF O=C(O)c1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1O 962638095 KIOSTTVPAPXJIB-RDPSFJRHSA-N 400.478 3.927 0 1 HHAF Cc1c([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cnn1-c1ccc(F)cc1F 963037852 WHPIMXCTFKDMHY-LFVRLGFBSA-N 408.452 3.776 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(c1cc(C)no1)N(C(=O)c1ccccc1N)CC2 963135740 DSMKQPIGJGFZGT-QHCPKHFHSA-N 407.470 3.544 0 1 HHAF COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(Cl)ccc12 1772598724 YLUNZONQAXVOSD-UHFFFAOYSA-N 423.900 3.756 0 1 HHAF CCCCCCn1c(Cn2cnc3c(N4CCOCC4)ncnc32)nc2ccccc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c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 4971244 IITYYCJLORYTMN-GOTSBHOMSA-N 422.525 3.799 0 1 HHAF COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)c1cc2ccccc2o1 27561049 CRVDKGCQFNIWGO-JSWYLFPOSA-N 414.498 3.670 0 1 HHAF C[C@@]1(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccc2F)CCSC(N)=N1 43200412 PTTRJWDXRYWTSV-HNNXBMFYSA-N 402.373 3.752 0 1 HHAF CN(Cc1ccccc1)C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 102153672 AIKBTPVUMLTKMT-AMZMEHNNSA-N 420.347 3.922 0 1 HHAF OC[C@@H](O)CNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115759695 GCJCWBZVMNLADH-KRWDZBQOSA-N 405.429 3.993 0 1 HHAF CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 137486778 FXDKPNSHJQCPPS-UHFFFAOYSA-N 418.954 3.580 0 1 HHAF NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccc(O)c4[nH]c(-c5cccs5)nc14)(C3)C2 150157144 YUVCSUSHDGIPKN-DRUBFKJYSA-N 408.527 3.777 0 1 HHAF C[C@@H](NCCCN(C)C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169302292 DFVJOHSOSGARCA-ZXKKPRRJSA-N 420.682 3.907 0 1 HHAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(Br)nc2C)n1 205294317 UXHDKNHZJNXBCJ-CHWSQXEVSA-N 424.306 3.594 0 1 HHAF COc1ccccc1C(=O)C(CSC(=S)N(C)C)CSC(=S)N(C)C 207734710 DSVYMTYKILXWEF-UHFFFAOYSA-N 416.659 3.654 0 1 HHAF COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(C(=O)Nc2ccccc2)c1 220892849 OCWDSUODYNEXAD-UHFFFAOYSA-N 417.874 3.797 0 1 HHAF O=C(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCOCC1 224824835 JEPGLCVXNXICIX-UHFFFAOYSA-N 402.429 3.903 0 1 HHAF Cc1cc(Cl)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586947446 YVOHGFMBAMDHBC-HNNXBMFYSA-N 405.907 3.649 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)c(Br)c2[nH]1 587194111 LSPVLZYZRRUGKV-LBPRGKRZSA-N 415.307 3.982 0 1 HHAF CC1=C(c2ccc3nc(-c4cccnc4NCc4ccccc4)[nH]c3c2)NNC(=O)C1 587229472 GWQCZDZUKKKTLA-UHFFFAOYSA-N 410.481 3.993 0 1 HHAF Cc1nn(CC(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340351 HIFFBXOBUCQXCC-GMAHTHKFSA-N 424.428 3.704 0 1 HHAF COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 587410947 AJJOIOZREPZUBP-FZKQIMNGSA-N 403.228 3.733 0 1 HHAF COc1ccc(N)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC 587746864 ILPYOJOIFBTXBZ-APBUJDDRSA-N 409.299 3.985 0 1 HHAF COC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587795087 QLFNXNSGOXPYEX-JEOXALJRSA-N 408.267 3.764 0 1 HHAF C=CN1CC[C@H]([C@]2(c3ccncc3)NC3(CC3)Cc3ccc(Br)cc32)C1=O 961614371 KXURXRZHTALFIU-AVRDEDQJSA-N 424.342 3.758 0 1 HHAF Cc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1 1857542419 JHRCZIKHMOJCKF-UHFFFAOYSA-N 407.518 3.639 0 1 HHAF OC[C@@H]1CCCCN1Cc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)ccc23)o1 1857545482 CYZZZLBTKMEABD-INIZCTEOSA-N 404.470 3.937 0 1 HHAF CSc1cnc(Nc2ccc(N3CCOCC3)cc2)[nH]c1=Nc1cccc(O)c1 1857554644 ZAGXDKIRKICWOP-UHFFFAOYSA-N 409.515 3.650 0 1 HHAF Cc1cccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cc3)cc2)c1 1857567181 QLNFQNOQEDLMRF-UHFFFAOYSA-N 412.486 3.543 0 1 HHAF CN1CCCN(c2ncc(-c3ccc4c(Nc5cccnc5)ccnc4c3)cn2)CC1 1857619254 XVNJTTIRRIVUHY-UHFFFAOYSA-N 411.513 3.972 0 1 HHAF O=C1CSC(N2N=C(c3ccncc3)C[C@@H]2c2ccc(Br)cc2)=N1 1857649381 JWLCIIIANMLPEF-OAHLLOKOSA-N 401.289 3.625 0 1 HHAF O=S(=O)(c1ccc(-c2ccon2)s1)N(Cc1ccccn1)Cc1ccccn1 1025769 JYFSHHMSGLNMNP-UHFFFAOYSA-N 412.496 3.584 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C(=O)NCCC1=CCCCC1)[C@@H]1CCCCN1C2=O 2456132 VCISTBPUZYKIGI-SIKLNZKXSA-N 412.530 3.802 0 1 HHAF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4208404 UDDSWRHQPJXUDV-URVUXULASA-N 424.884 3.745 0 1 HHAF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@H](C)[C@H]3OC(=O)C(C)C 13889783 WEAUAVYOYHZPNX-APCLUVAMSA-N 408.450 3.784 0 1 HHAF biogenic COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 14968502 FKHAJTOJGDZEST-OAHLLOKOSA-N 418.925 3.662 0 1 HHAF CC(C)=C[C@H]1OC(=O)/C(=C/CC/C(C)=C/CC/C(C)=C\COC(=O)C[C@H](C)O)[C@@H]1O 15113944 DXDOQWITBDCYOY-DGRYIPEESA-N 420.546 3.932 0 1 HHAF CCCCOC(=O)[C@@H](CCCC)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 27739977 VESDDTHMRCVBTQ-WOJBJXKFSA-N 420.550 3.956 0 1 HHAF CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC 82199069 ZQBQYXNXKBECQU-RQEIOMHYSA-N 416.562 3.801 0 1 HHAF Cc1cc(C(=O)N2CCN3C(=O)c4ccncc4[C@]32c2ccc(Cl)cc2)c(C)o1 115091743 PRGLMEDBJIWHMZ-JOCHJYFZSA-N 407.857 3.758 0 1 HHAF CC[C@H](CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12 118738949 FDVQDUNWVMTCAQ-GFCCVEGCSA-N 404.467 3.785 0 1 HHAF CCCS(=O)(=O)NCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 140761775 WECYLIIKCYSVQZ-YADHBBJMSA-N 421.006 3.812 0 1 HHAF Fc1ccccc1N1CCN([C@@H]2CC[Si](c3ccccc3)(c3ccccc3)C2)CC1 170112564 SDJGRCVPRCDSHK-JOCHJYFZSA-N 416.616 3.983 0 1 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)cc3)c(C)c2c1 263608348 TWGHXVKHVUGVCO-PMGBGIESSA-N 410.466 3.648 0 1 HHAF O=C(NCCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2cn1 299838899 RKLDGOMILCFJDT-UHFFFAOYSA-N 406.505 3.706 0 1 HHAF N[C@@H](N=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586960372 PBRVGOPQPWNISE-SSOJOUAXSA-N 421.320 3.790 0 1 HHAF Clc1ccc(C2=C[C@H](c3nc4cc(I)cnc4[nH]3)ON2)cc1 587075009 BMDPNWQILWQWSI-CYBMUJFWSA-N 424.629 3.833 0 1 HHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4nccc(Br)c4[nH]3)no2)n1 587118828 QYODFPZUCKIRMO-UHFFFAOYSA-N 413.157 3.639 0 1 HHAF COC(=O)c1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587339420 QFPWEKSVGUGDEJ-NZQKXSOJSA-N 407.397 3.987 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1Br)[C@@H](C2)C3=O 587413025 LVCNFNAQLFVFLW-RBZFPXEDSA-N 416.271 3.993 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759765 VHRZLFZOVRCHDL-KWKQTUKZSA-N 421.358 3.966 0 1 HHAF CCn1ncc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587766309 VGBQEEMRQPXMPV-JLWJJTIXSA-N 421.358 3.966 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 587838151 ATJPOLNMMNRVQB-GIGQVBGESA-N 404.235 3.727 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCc3cc(F)c(F)c(F)c32)N1 962979481 SKWDSWQMNSGMIU-VOJFVSQTSA-N 403.734 3.824 0 1 HHAF CN(C)c1cccc([C@]2(CCCCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963024414 NFYMYOKTUUKVLF-NSYGIPOTSA-N 421.541 3.695 0 1 HHAF NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2N)cc1Nc1ccccc1Br 1772600636 ONXKXNWZCWHUJG-RDJZCZTQSA-N 403.324 3.973 0 1 HHAF CCCCCCOc1ccc(OCCCC(=O)C(=O)NCCCCC(=O)O)cc1 1857621380 IQBKTCRXVYAABS-UHFFFAOYSA-N 407.507 3.745 0 1 HHAF C[C@@H]1[C@H](O)[C@]2(OC1(C)C)O[C@@]13CC[C@@H]([C@H]2C)[C@@]1(C)C=Cc1c3ccc(O)c1CO 2356480654 LIQMFAHYIGAEHK-OXJGSHAYSA-N 400.515 3.691 0 1 HHAF COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CN1CCCCC1 5879686 HMFFVWRCJXWGGT-UHFFFAOYSA-N 403.523 3.647 0 3 HHAF CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 30479511 FWRGKIAYDILCKV-QGZVFWFLSA-N 401.507 3.508 0 3 HHAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1OC 61903419 DCTIGTQGANZDJE-QFIPXVFZSA-N 418.449 3.911 0 3 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055654 NMAUNUZKXVTNQI-VUHPKUFZSA-N 404.919 3.913 0 1 HHAF CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)[C@H]2N1C(=O)[C@@]2(C)OCc1ccccc1 5733226 DWEHYYMYUHOBEE-HFMPRLQTSA-N 408.498 3.807 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 13617905 LPRDKGYMPJZAIG-ZJKGHYPUSA-N 402.425 3.636 0 1 HHAF COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3c(OC)cccc23)cc1 13742510 PYVBPJVNQJWTHT-UHFFFAOYSA-N 408.498 3.530 0 1 HHAF CCOC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1 26725970 WNZMTWAJENZPDM-UHFFFAOYSA-N 410.453 3.522 0 1 HHAF CC(C)CCn1c(Cn2c(=O)n(CCN(C)C)c3ccccc32)nc2ccccc21 28570637 FQGCHVOXPINEJN-UHFFFAOYSA-N 405.546 3.809 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NCC3CCNCC3)cc12 35285092 UZICKKVMOVQUOD-UHFFFAOYSA-N 420.538 3.960 0 1 HHAF COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)O)c4)c3n2)cc(OC)c1OC 36348741 JKYYSQBEHFFBDS-UHFFFAOYSA-N 420.425 3.888 0 1 HHAF Fc1ccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1Cl 38389202 DHDUWXQFEYJFTD-UHFFFAOYSA-N 419.840 3.970 0 1 HHAF COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/[C@H](O)Cc1ccccc1 38498665 DMWHVSVEFWNKGV-FGHJWOPVSA-N 414.542 3.638 0 1 HHAF COc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2n2nnnc12 40863483 MRBKXGQRRJWHRZ-UHFFFAOYSA-N 409.449 3.883 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccnc2)[C@H]1CO 95878558 OLHNUQHRDCUWEB-ZTCOLXNVSA-N 417.484 3.902 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5cnccc45)ccc31)[C@@H]1CC[C@H](C2)N1 96175250 IDSDRTXJSSYVFT-BEFAXECRSA-N 403.507 3.909 0 1 HHAF CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(I)cc1)CN32 100912862 FCQURNVPSIDFJC-XKCWUSIUSA-N 423.294 3.720 0 1 HHAF Cc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101377925 SLDZZPIBQBYWGZ-VXKWHMMOSA-N 402.494 3.732 0 1 HHAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 104551720 RJQYILQJIQRYRJ-SIRBJWHBSA-N 416.562 3.866 0 1 HHAF COc1cc(NC(=O)Nc2cccc3c2[C@@H]2CC(=O)CCN2C3=O)nc2ccccc12 116928224 HTDWSSOOFGKSSQ-SFHVURJKSA-N 416.437 3.747 0 1 HHAF CC(=O)O[C@H]1CC(=O)[C@H]([C@@H]2[C@H](/C(C)=C\CC=C(C)C)C[C@@H](OC(C)=O)[C@H]2CO)[C@@H]1C 140485149 NZWVOVFKAOWSBT-IJDGTOCUSA-N 420.546 3.622 0 1 HHAF COc1ccc2c(OCc3nnc4ccc(-c5ccc6nccn6c5)nn34)ccnc2c1 166055446 WBUXYPRXMKRCQM-UHFFFAOYSA-N 423.436 3.575 0 1 HHAF CN1CCN(Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 206067671 UHVLZIRKNKWLJU-UHFFFAOYSA-N 414.358 3.542 0 1 HHAF CCn1c(=O)cc(N[C@H]2CC[C@H](C(=O)NC)CC2)c2cc(-c3cncs3)ccc21 299851643 HRPDLIRHUMUQDQ-KOMQPUFPSA-N 410.543 3.862 0 1 HHAF NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586930464 UGQNPDVJBUWIIZ-UHFFFAOYSA-N 403.813 3.668 0 1 HHAF O=S(=O)(Cc1nc2cncc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950308 DFECDPCRSSFCRW-UHFFFAOYSA-N 405.911 3.544 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2c1 587052758 LGNUIIAVPMEDHJ-GFCCVEGCSA-N 424.682 3.714 0 1 HHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1cccc(Cl)c1 587071206 KQSQQJTWDDGBSE-LLVKDONJSA-N 421.910 3.809 0 1 HHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587191532 VVLPRFVXQWJVOC-IBGZPJMESA-N 408.458 3.850 0 1 HHAF CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341590 JWWGEFBZJGGJFW-REWPJTCUSA-N 424.428 3.565 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 587386452 JEERGMZDRWBYFL-OXQOHEQNSA-N 411.502 3.690 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)O2 587409722 NWKITMJLGDSDJE-OAQYLSRUSA-N 424.478 3.723 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587442769 NPVZOMKOHTZITM-MFJZGFPYSA-N 408.450 3.848 0 1 HHAF CCOC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587587729 OEDHSUSJODUSQK-CVDCTZTESA-N 405.406 3.841 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 587723989 DAGBYECLPDGRQD-QPFGOUBPSA-N 400.194 3.729 0 1 HHAF CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587761709 CKPBUNJKHKOJBZ-CWTRNNRKSA-N 424.314 3.536 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCNCC2)N1 587768374 UYLUNXKLFFDVKO-RNODOKPDSA-N 404.327 3.621 0 1 HHAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O 587789849 DBYYGXNHQRHGMU-MGNBDDOMSA-N 424.266 3.684 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3Cc4ccccc4N[C@H]32)N1 587791275 KZBZNRRIELRCLX-BYYRLHKVSA-N 402.311 3.975 0 1 HHAF COc1cc(C(=O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805348 GALNEEOZUNNKFC-NIVTXAMTSA-N 424.266 3.927 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811911 XWCVMQDPRAJWEH-FKIZINRSSA-N 422.294 3.938 0 1 HHAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cnc(O)c3ccccc23)N1 962647097 XTZJFERKLQEILA-DLBZAZTESA-N 404.344 3.527 0 1 HHAF O=C(O)c1ccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1O 962950944 FJUSUSOBWNPTFU-GOSISDBHSA-N 407.388 3.850 0 1 HHAF COC(=O)c1csc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963175820 BZTXBGWXEUWGKC-HZMBPMFUSA-N 419.808 3.895 0 1 HHAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)nc([C@H](C)O)c12 1772601382 RJHOUXQZEPLWPT-BDAKNGLRSA-N 407.833 3.695 0 1 HHAF CC(C)=CCCC(C)=CCOc1ccc(CCNC(=O)C=CS(C)(=O)=O)cc1 2356752616 DBTJBVAPSHUCIT-UHFFFAOYSA-N 405.560 3.975 0 1 HHAF O=C(NCCCCNCCCNC(=O)OCc1ccccc1)OCc1ccccc1 5834330 AYTWVUUJRQPCGH-UHFFFAOYSA-N 413.518 3.599 0 1 HHAF O=C1C[C@@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 13382662 BRPIOKDBXKCDNY-WMZOPIPTSA-N 418.401 3.951 0 1 HHAF biogenic C[C@](O)(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 13586442 KMQSMKKLHKCHHF-AREMUKBSSA-N 400.522 3.828 0 1 HHAF Cc1cc2c(cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl)OCC(=O)N2 20491587 BDGYPZNVQCBGBD-UHFFFAOYSA-N 420.796 3.799 0 1 HHAF CCCCOc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 28003348 MGYZMMFPQHHKTJ-DLENHJPASA-N 421.457 3.543 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4cccs4)c32)cc1 38143474 GEGYENJIHMZYHX-UHFFFAOYSA-N 414.508 3.760 0 1 HHAF FC(F)(F)c1cnc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1 38157632 CTCLKKHXJLNTPO-UHFFFAOYSA-N 416.329 3.717 0 1 HHAF CC(C)C[C@H](NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 40587796 PMHNFWJIPVUVTO-XYJFISCASA-N 422.547 3.653 0 1 HHAF COc1cc(C(=O)c2sc(Nc3ccc(F)cc3)nc2N)cc(OC)c1OC 43067367 NJJHJCNLYVFYTA-UHFFFAOYSA-N 403.435 3.865 0 1 HHAF O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)CCc4ccccc4)c3)c2[nH]1 45364107 JJPHTHSTLURPFU-UHFFFAOYSA-N 409.467 3.633 0 1 HHAF CCN(CC)C(=O)NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72101716 HLDLJJIOVPEGIZ-FQEVSTJZSA-N 419.932 3.874 0 1 HHAF CCCC[C@@]12C[C@@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 101059801 HXVDIINIFFRSGI-FCHUYYIVSA-N 411.889 3.848 0 1 HHAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](C(=O)N(C)C)C3)cc12 114711163 JFNCIPNVTAPVEE-HUUCEWRRSA-N 402.564 3.898 0 1 HHAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCNCC2)cc1 144156414 MMOIWXGERBDGKP-UHFFFAOYSA-N 406.574 3.937 0 1 HHAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(-n5ccccc5=O)n4)c3c2)s1 145438229 IDXOFDAWMQNDDL-UHFFFAOYSA-N 400.467 3.941 0 1 HHAF CC(C)(C)CNC(=O)C[C@@H]1CNC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cn21 169331600 TZKTZPSJUMHYLW-OAHLLOKOSA-N 423.435 3.891 0 1 HHAF CCN(c1cc(Cl)cc(C(=O)NCc2ccc(C)[nH]c2=O)c1C)C1CCOCC1 207598877 ZRUQKPSGZKVRJH-UHFFFAOYSA-N 417.937 3.580 0 1 HHAF CC(C)=CC[C@H]1[C@H](O)[CH][CH][C@H]2[C@H]3CO[C@H]4[C@H]([CH][CH][C@H](O)[C@H]4CC=C(C)C)[C@@H]3O[C@H]21 238750255 QCLQSTQFKJDAAY-BOMCKQJPSA-N 400.559 3.512 0 1 HHAF CCOc1ccc(C)nc1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 261104015 HBQVLSLDECXOPX-UNEWFSDZSA-N 421.419 3.885 0 1 HHAF Cn1cc(-c2ncc(-c3nc4cccc(I)c4[nH]3)s2)cn1 587021146 FRSNEMBIBSZNDI-UHFFFAOYSA-N 407.240 3.692 0 1 HHAF O=C(CCc1nc2cc(Cl)cc(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024417 ZIIZUNUOLDCRAS-UHFFFAOYSA-N 402.842 3.840 0 1 HHAF O=S(=O)(c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1)C(F)(F)F 587083923 COVSPNLPYGYNJY-UHFFFAOYSA-N 401.797 3.985 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587196631 WPUDRCOHFJYYHQ-OAHLLOKOSA-N 400.548 3.859 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349771 QOMQGAMHSGUOOQ-GEQKSPFYSA-N 412.413 3.561 0 1 HHAF COc1cc2c3c(c1)O[C@H](C1CCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587440348 YQKQZBJXQMWPPJ-WMZHIEFXSA-N 407.466 3.860 0 1 HHAF COc1cc2c3c(c1)O[C@@](CSc1nccn1C)(c1ccc(O)cc1)[C@@H](C2)C3=O 587451457 YDLQDDDWHSANJU-JTSKRJEESA-N 408.479 3.570 0 1 HHAF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587532912 QEUMRMULNLPWEO-ARBPTSGCSA-N 404.528 3.984 0 1 HHAF C[C@H](CC(=O)O)[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576928 ITUVPZGQUXOHDG-PNPIFTBSSA-N 419.433 3.942 0 1 HHAF C[C@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581585 WINOLMXYTDMOOY-NZQKXSOJSA-N 405.406 3.623 0 1 HHAF O=C(c1ccc2nccn2c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658198 LBNAPUPQLYIERR-UHFFFAOYSA-N 402.360 3.678 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587735805 VHKRYJLUEVKREA-ZRNGKTOUSA-N 422.225 3.866 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 587834516 LBZJTUSRCDMYQJ-XTZNXHDOSA-N 408.267 3.992 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2c[nH]nc2N)N1 587850665 DVPPKWGBSFVAIF-XLFHBGCDSA-N 407.312 3.781 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1CCOCC1 587866048 CDLUHSBMFNNFFT-CQSZACIVSA-N 411.424 3.576 0 1 HHAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCO)nc12 653722006 GVIGDUKISNSSHK-UHFFFAOYSA-N 403.490 3.555 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2cc(F)ccc2F)cc1 1772575292 QNOCIRIQKXPUAE-FQEVSTJZSA-N 413.424 3.579 0 1 HHAF O=S(=O)(c1cccc(F)c1)n1cc(C2=CCNCC2)c2ccc3cccnc3c21 1857752778 UPGLZYFDTNFUOW-UHFFFAOYSA-N 407.470 3.942 0 1 HHAF COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@H](CNCc4ccccc4)O3)no2)cc1 2356287535 LEYIDIUEXDKCGN-FIXSFTCYSA-N 408.498 3.591 0 1 HHAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(C=Cc2ccc(Cl)cc2)c1=O 2356439708 AUBBSUIRDQAKIB-MJGOQNOKSA-N 412.917 3.654 0 1 HHAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@H](C(C)(C)O)CC[C@]2(C)C=C[C@H](C)[C@H]1OC(C)=O 2356652854 SJYTXRWLBZATEJ-FKDFREPPSA-N 422.562 3.556 0 1 HHAF COC(=O)c1ccc([C@]2(C)CCCC(C)(C)C2)c2c1CN(CC(=O)O)C(=O)[C@H]2C 2356796025 MSTQSHIHGIEVOX-LFVRLGFBSA-N 401.503 3.861 0 1 HHAF CNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 1487541 KCVBJYCYUYBMEV-OAHLLOKOSA-N 413.934 3.936 0 1 HHAF CCCCc1nn(C2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832669 QOHPRLONBGDDDC-UHFFFAOYSA-N 415.501 3.618 0 1 HHAF NCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12 26636848 IVJMCUXSLLMCHE-UHFFFAOYSA-N 409.287 3.834 0 1 HHAF CCc1cc(-c2ccc3c(c2)C[C@H](CC(=O)NCc2cnc(C)cn2)C3=O)ccc1O 29123363 WPDBKJBYOYDOMI-HXUWFJFHSA-N 415.493 3.782 0 1 HHAF CCCC[C@@](C)(OC)[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 29485670 GGDWDKDPRJFMHD-TUXAQTTPSA-N 412.567 3.579 0 1 HHAF COCC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 38498337 XQLLZNCBCXQAPA-UHFFFAOYSA-N 411.893 3.540 0 1 HHAF C[C@H]1CN(Cc2cc(Cl)ccc2CCC(=O)O)CCN1C(=O)Cc1ccccc1 43153006 MFELOIQWSKQMLV-KRWDZBQOSA-N 414.933 3.633 0 1 HHAF O=C(c1cc(-c2ccc3c(c2)Cc2cn[nH]c2-3)c(-c2ccncc2)o1)N1CCOCC1 64510735 PODSYLIWTRZWJI-UHFFFAOYSA-N 412.449 3.775 0 1 HHAF O=c1ccoc2cc(OCc3cn(Cc4ccccc4Br)nn3)ccc12 84670862 ZGVXCGPGZOZCJX-UHFFFAOYSA-N 412.243 3.774 0 1 HHAF O=C(c1ccc(F)cc1)c1ccc(F)cc1/C=C/OCCN1CCC[C@@H](C(=O)O)C1 96923626 VOVWUPWYAVRKSJ-ZPHJMFTNSA-N 415.436 3.980 0 1 HHAF Cc1ccc(-c2ccc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2)cc1 101331183 LDSMDBADLINLQL-UHFFFAOYSA-N 406.463 3.819 0 1 HHAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(C(F)(F)F)cc1 169343967 WLCUAZCLBSRTHQ-UHFFFAOYSA-N 416.447 3.692 0 1 HHAF CC(=O)OC[C@H]1[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]2CC[C@H]1[C@H](C)OC(C)=O 299816439 ZAFHWUCEOHMPTI-VTXUTOLZSA-N 408.535 3.902 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2ccc(OCCN(C)C)cc2[nH]1)C(F)(F)F 587093626 WJRNDDCBESCHLT-FQEVSTJZSA-N 422.451 3.667 0 1 HHAF O=C(O)[C@H](c1cccc(Cl)c1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 587368559 LONTVXXRRCNAAT-MRXNPFEDSA-N 407.813 3.973 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)O2 587409962 OTKCFIAYQBKZID-NRFANRHFSA-N 408.479 3.749 0 1 HHAF C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@@H]2CC[C@@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 587561523 SOGJZVXWNLVFKR-HKJYRHMYSA-N 407.514 3.773 0 1 HHAF C/C(=C\[C@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587738778 CTJJYDUPNRCVKX-OUXIWXEBSA-N 405.315 3.621 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2nccn2C)N1 587757847 WCHJJHAISLLYAL-CWTRNNRKSA-N 401.283 3.543 0 1 HHAF CCOC(=O)C[C@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834238 KIPGRWXGCHYESY-HXPMCKFVSA-N 414.315 3.698 0 1 HHAF CC/C(=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccc(C)cc1 587965697 CYECOAUPPKUTCR-HTXNQAPBSA-N 418.541 3.572 0 1 HHAF CN(Cc1ccccc1)c1ccccc1NC(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O 618014471 QTZVHXCBIAJAQV-FPOVZHCZSA-N 414.509 3.924 0 1 HHAF Cc1nn(C)cc1[C@]1(CC(=O)C(F)F)NC2(CC2)Cc2ccc(Br)cc21 961744844 AUXAGNPYWCYYPB-LJQANCHMSA-N 424.289 3.637 0 1 HHAF Cc1nc(-c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)cc2)no1 962626465 GYDSINRITJGUPC-SJORKVTESA-N 419.359 3.632 0 1 HHAF Cc1nc2cc([C@@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)ccn2c1C 962676824 ZZBSKXUHUULFRN-QPPBQGQZSA-N 400.482 3.687 0 1 HHAF CCOC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963221825 FVRASWIJUFFQHW-CTNGQTDRSA-N 415.449 3.581 0 1 HHAF COc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231404 MIJXRKZCXGCUSE-RCZVLFRGSA-N 413.477 3.904 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H](O)c2ccccc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963607682 JXWGDWUNUFFFOC-WVCKHHOPSA-N 413.514 3.510 0 1 HHAF C[S@@](=O)c1ccc(-c2cnc3ccc(Nc4ccc([S@](C)=O)cc4)nn23)cc1 1857544923 DIJKZNBNQKPKPU-IZLXSDGUSA-N 410.524 3.615 0 1 HHAF CSc1ccc(NC(=O)NCCCN2CCN(c3ccccc3F)CC2)cc1 4056467 WOHOPYMSIBACDV-UHFFFAOYSA-N 402.539 3.881 0 3 HHAF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051621 WSTWSBQHFWIKQQ-URVUXULASA-N 406.507 3.560 0 1 HHAF CSCC[C@H](C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O 4546268 DGRZESHMUBNKJP-HOSQHVHZSA-N 414.571 3.832 0 1 HHAF CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)Cc1ccccc1 28342247 ABFFFWWNVUNIQI-VVZHRXSXSA-N 403.570 3.937 0 1 HHAF CCC[C@H](CC1(NC(=O)c2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O 40810659 CMRYKCCZBRKSFY-LJQANCHMSA-N 410.514 3.830 0 1 HHAF CCc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 64573271 HNJOKNBVVXSFPS-UHFFFAOYSA-N 419.978 3.866 0 1 HHAF O=S(=O)(c1cccnc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1 72115038 UFLDEOVWHJLCGS-CTNGQTDRSA-N 411.571 3.908 0 1 HHAF CC(C)(CN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O)c1cccc(F)c1 72124576 JXGWNMNULMTUOD-HXUWFJFHSA-N 410.445 3.550 0 1 HHAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82205692 PNXUDTKMGBBAFJ-SFHVURJKSA-N 414.525 3.936 0 1 HHAF O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3occc3c2)n1 96269611 RUMKYLOTDPGPFF-UHFFFAOYSA-N 405.483 3.613 0 1 HHAF Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100323952 ZHVWWEYETMPAMX-JFWNMISASA-N 415.489 3.838 0 1 HHAF COCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 101541096 YXRXOBOTFASVBH-LMIFWLCCSA-N 400.494 3.732 0 1 HHAF O=C1C[C@@H](c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 103155084 GXEBLAWAWRYNEE-IBGZPJMESA-N 418.324 3.616 0 1 HHAF CCCC(=O)O[C@H]1C=C2C(=O)OC[C@]23C=CC2=C(C(C)=C3C1)[C@H](c1ccoc1)OC2=O 103232783 RNFMVDDAKMKIQE-SJODRWRQSA-N 422.433 3.646 0 1 HHAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(-c3ccccc3)cc2)nn1 114078822 OIQHYMFFSWKLDO-UHFFFAOYSA-N 412.497 3.517 0 1 HHAF CC1(C)CN(c2ccc3nc(-c4cc(F)cc(F)c4)c(-c4ccncc4)n3n2)CCN1 144144764 VLWILZFJMAJJFY-UHFFFAOYSA-N 420.467 3.925 0 1 HHAF N[C@@H]1CCCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)C1 150155952 HWIDISMNBLRQNP-CQSZACIVSA-N 406.440 3.893 0 1 HHAF CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218975278 IWKFZYREVQHDQC-SMTRDTIPSA-N 412.574 3.872 0 1 HHAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)ccc1O 257607394 WNEWYJBAIPHOET-PBFVBANWSA-N 402.443 3.502 0 1 HHAF O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O 299862445 NACACQUUNGYMIF-INIZCTEOSA-N 410.451 3.931 0 1 HHAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc3ncccc3c2[nH]1 586945189 BAAABLXBIKIFBL-UHFFFAOYSA-N 410.480 3.911 0 1 HHAF O=c1c(-c2nc3nc(Cl)ncc3[nH]2)cc(Br)cn1Cc1ccccc1 587006710 NURTYCQMUFQAQO-UHFFFAOYSA-N 416.666 3.646 0 1 HHAF CCOC(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197406 OGDUOWNNWZAJAS-HNNXBMFYSA-N 403.479 3.656 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(Br)c3[nH]2)cc1 587223730 FDUDGCXLDGMZFY-UHFFFAOYSA-N 417.263 3.824 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)[C@H]1CCCNC1 587591889 FLRBLRIAPRMVCD-LYAKXMMSSA-N 402.450 3.644 0 1 HHAF COc1cc(C)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587598301 XIRCEQLBWQZBKN-FDDCHVKYSA-N 403.390 3.518 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 587736347 ZKQCDQYJMPTGEF-XYZCENFISA-N 416.287 3.754 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 587782647 WFYHLSZFPAYSAN-UHFFFAOYSA-N 417.259 3.788 0 1 HHAF COc1nc(N(C)C)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587856638 YFEOKMHDWQSQLO-OQPBUACISA-N 400.317 3.743 0 1 HHAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@H]1CC=C[C@@H](C)O1 1772657151 DHKVZDFNSDUEAS-CXAGYDPISA-N 414.506 3.955 0 1 HHAF Cc1ccc2nc(Nc3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)sc2c1 1857559771 YARWNAIIYOEJNU-UHFFFAOYSA-N 412.500 3.529 0 1 HHAF CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)O)cc3)c(F)c2)ccn1 1857639922 AZJRQLVDDFMSTA-UHFFFAOYSA-N 424.388 3.715 0 1 HHAF CC(C)C[C@@H](NC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1)C(=O)O 2356875466 ZQLBONJLBKDOLE-QGZVFWFLSA-N 421.449 3.539 0 1 HHAF Cc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)sc1C 12204745 MMEORXCLXKBPEN-MRXNPFEDSA-N 405.951 3.511 0 3 HHAF CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2c1C 17862295 JNZMNQVFIPASOT-GASCZTMLSA-N 406.548 3.890 0 3 HHAF CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NC)CC(C)(C)O2 2487701 UZNURJRVVIWOKI-MJGOQNOKSA-N 417.550 3.639 0 1 HHAF O=C(Cc1c[nH]c2ccccc12)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13601749 YWEKANQISOCZCJ-DEOSSOPVSA-N 408.461 3.642 0 1 HHAF COc1ccc(-c2oc3c(OC)cc(OC)c(OC)c3c(=O)c2OC)cc1OC 14436939 FONKMEBARQKMEH-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF endogenous,in-man Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@H](C)C(=O)NCc1ccc(F)cc1)C2 25203710 XYRGYSNAQUQDPX-YJBOKZPZSA-N 413.489 3.963 0 1 HHAF biogenic CCNCCCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCOCC1 29046431 PLMYZMPFEPTGKO-UHFFFAOYSA-N 421.607 3.534 0 1 HHAF C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O)C(=O)O 44070131 XKZHNFLHDHLLRG-BOXZZKILSA-N 422.606 3.695 0 1 HHAF O=C(Cc1nc(-c2ccc3c(c2)OCO3)c2ccccc2n1)NC1Cc2ccccc2C1 58603445 MZORZTUDAXSUBV-UHFFFAOYSA-N 423.472 3.852 0 1 HHAF CCOCCOCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 84758797 AUBNWSWJDWIFGV-UHFFFAOYSA-N 410.599 3.885 0 1 HHAF Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cccc(F)c4)c3)C2)c(=O)[nH]c1=O 95576336 ODJIFFSRECCVIU-IBGZPJMESA-N 409.461 3.614 0 1 HHAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc3[nH]cnc3c2C1 96923981 YODDKDGEPXFIPC-QHCPKHFHSA-N 417.601 3.954 0 1 HHAF CCCCCCc1ccc2cc(CC[C@](N)(CO)COP(=O)(O)O)ccc2c1 103301195 BHQNAEVVGDUWQK-NRFANRHFSA-N 409.463 3.694 0 1 HHAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C(C)(C)CF)n2)c1O 299838379 QGXUYGOUMKXNNO-UHFFFAOYSA-N 417.890 3.714 0 1 HHAF CCOc1cc(CC(=O)O[C@@H](C)C(F)(F)F)c(F)cc1OCC(=O)N(CC)CC 299841396 ZPGVOBIZGXOYBT-LBPRGKRZSA-N 423.403 3.508 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5c(N)cncc5OC)nc4c3)o2)cc1 587254036 KETLQCMIPVDVJQ-UHFFFAOYSA-N 414.425 3.941 0 1 HHAF O=C(c1ccc(-c2csnn2)cc1)c1c(CO)oc2cc(Br)cnc12 587276977 XYMYJTPZIIHJHF-UHFFFAOYSA-N 416.256 3.832 0 1 HHAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 587329601 CYZWUQNUXTWKRE-REWPJTCUSA-N 407.372 3.901 0 1 HHAF COc1ccc(-c2nc3ncccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436065 MZIHVQYEYNPDIZ-HXOBKFHXSA-N 413.433 3.902 0 1 HHAF C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514979 ZEZUZQOZJIXCLT-LMKMVOKYSA-N 421.493 3.796 0 1 HHAF COC(=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 587587184 LKXUPDBLZLMCNB-UTKZUKDTSA-N 416.389 3.529 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(-c2ccccc2)c1 587869080 ANKGCIYUJCXZFP-UHFFFAOYSA-N 413.359 3.847 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@H](c2cc(-c3ccc4c(c3)OCO4)no2)N1)C(F)(F)F 962765752 NEQJFPSCXPDFSY-DNVCBOLYSA-N 416.355 3.805 0 1 HHAF CCN(CC)c1ccc2cc([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)c(=O)oc2c1 962926004 SECWQLCWYNMNBF-QHCPKHFHSA-N 419.525 3.576 0 1 HHAF Cc1ncc(-c2ccc3c(c2)N(c2ccc4c(c2)N(C)C(=O)CO4)C(=O)C3(C)C)cn1 1857754692 JPMJOWQKHQVHID-UHFFFAOYSA-N 414.465 3.763 0 1 HHAF CC(C=CC=CC=CC=CC(=O)O)=C[C@H](C)[C@H](O[C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1)C(C)C 2356335425 ZOGIGJKRUBEBDV-LHKCNIACSA-N 420.546 3.776 0 1 HHAF O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)C=Cc2ccccc2)CCCN1 2356391302 OROFOUPCOTVAJQ-HSZRJFAPSA-N 405.542 3.550 0 1 HHAF CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@@]3(C)[C@H]4O[C@H](CC(C)=CC[C@H]3O)[C@H]1[C@@H]42 2356506355 ASYFQGFROIAMPM-YDTXZFNYSA-N 406.563 3.880 0 1 HHAF C[C@@H](C=C[C@@H](C)CO)[C@@H]1C[C@H](O)C2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356666507 ZAZQQOOBLLITLN-FYWHTNNISA-N 418.618 3.833 0 1 HHAF O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)C1CCCC1 4388707 WALFUZZSSUWCOL-SFHVURJKSA-N 402.520 3.706 0 3 HHAF COC(=O)C1=C(CCc2ccccc2)NC(=O)N[C@H]1c1ccc(Br)cc1 13125906 JJQDFFOUFXJCOY-SFHVURJKSA-N 415.287 3.863 0 3 HHAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CCc1ccccc1F 95571387 QBFJKXKCUHPGDL-JOCHJYFZSA-N 400.519 3.958 0 3 HHAF O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 205229322 SYWUCFSBFUURBZ-YADHBBJMSA-N 420.490 3.903 0 3 HHAF COc1cccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(F)c4)c32)c1 6916316 WDTHXLUWNGMUET-UHFFFAOYSA-N 420.444 3.590 0 1 HHAF O=C(NCCCc1ccccc1)[C@H]1CC12CCN(C(=O)c1noc3c1CCCC3)CC2 12050399 XPYABDYNRLRAPF-HXUWFJFHSA-N 421.541 3.545 0 1 HHAF CCN(CC)C(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737479 JJCISVQVDBOJBQ-GHTZIAJQSA-N 408.527 3.933 0 1 HHAF COc1ccc(NCCNC(=O)[C@H](CC(C)(C)C)NC(=O)c2cccc(C)c2)cc1 14971304 DRKSBIJCXVSMBY-NRFANRHFSA-N 411.546 3.767 0 1 HHAF COc1cc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)Cc2ccccc2)ccc1O 17221754 FLXXMSSPZPMSQN-LJQANCHMSA-N 408.483 3.571 0 1 HHAF CC(C)c1ccc(Cn2ccc3c4c(N)nc(N5CCNCC5)nc4ccc32)cc1 26183569 JLBBOYOYEZATOX-UHFFFAOYSA-N 400.530 3.748 0 1 HHAF CC(C)n1cnc2c(NCCNc3ccccc3)nc(N3CCCC[C@@H]3CCO)nc21 26471994 QVRZMAQQVHGQMR-LJQANCHMSA-N 423.565 3.673 0 1 HHAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccc3OC)CC1)OCC2 27893513 IIOVYNFOBGLBKQ-NRFANRHFSA-N 412.530 3.539 0 1 HHAF CNC(=O)c1ccc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c1 28526021 SQZAEYSNDQIFLQ-UHFFFAOYSA-N 400.649 3.968 0 1 HHAF CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)n2nccc2N1 34342288 PLLXTGQGCTVIOJ-HSZRJFAPSA-N 417.488 3.660 0 1 HHAF Nc1ccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)cc1 36338425 KQDJDEWGSPCWAC-ICSRJNTNSA-N 412.497 3.578 0 1 HHAF O=C(O)CC[C@@H](O)c1ccc(OCc2ccccc2I)cc1 45496802 WEGOIKJZQUOMLD-MRXNPFEDSA-N 412.223 3.768 0 1 HHAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1 49047821 XBFAFSAUQFDEOK-JKSUJKDBSA-N 402.281 3.777 0 1 HHAF in-vitro COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82071792 CJDNUTVTVOSDAB-LJQANCHMSA-N 410.495 3.855 0 1 HHAF COc1cc2nc(NCCCCCO)nc(NCCc3ccccc3)c2cc1OC 82127788 MHCHJOAMILUJLR-UHFFFAOYSA-N 410.518 3.876 0 1 HHAF COc1cc(C(=O)c2cn(C)c(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC 95552742 FQBJGJVWLIVNRM-UHFFFAOYSA-N 405.454 3.836 0 1 HHAF CN[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 95554391 YDTAITULUOEXLP-AWEZNQCLSA-N 408.445 3.974 0 1 HHAF CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 100640522 WHOYCZAZHQFDDJ-RFWXGWTQSA-N 401.572 3.564 0 1 HHAF CN1CCN(C2=Nc3cc([125I])ccc3Nc3ccccc32)CC1 101432121 IWISDWLQUURCRG-GBVACIEGSA-N 416.283 3.674 0 1 HHAF C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C[C@@H](C)O1 224793543 NVVMZBWPVNUHJS-HUUCEWRRSA-N 406.461 3.781 0 1 HHAF Cc1ccc2c3c(c4c(nc13)-c1cnc(O)c(C(N)=O)c1CC4)-c1ccccc1C2=O 586996758 PMLAIEHPUPCCPY-UHFFFAOYSA-N 407.429 3.720 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C(=O)O)[C@@H]4C(=O)O)-c1ccccc1C2=O 587100750 HKKKNDOULFIXTA-QUGJLEDBSA-N 401.418 3.816 0 1 HHAF CC(=O)N[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(C)cc1 587207840 XLRKVAZEYFKKED-HNNXBMFYSA-N 416.275 3.752 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239125 IBXZDENXGLZXBQ-DJHSXXLPSA-N 407.902 3.561 0 1 HHAF CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCOCC1 587400037 NYJFABDTIWQWKB-DEOSSOPVSA-N 410.514 3.689 0 1 HHAF COC(=O)N(C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587568387 CFHQYUHYHXWUMM-PMACEKPBSA-N 405.406 3.995 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3nccs3)c(=O)c3ccccc23)c(O)c1 587669228 HDFYZZNZBVJODV-UHFFFAOYSA-N 420.494 3.760 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 587799038 VWVIDOXQLFILNW-NZCGUCNHSA-N 417.322 3.839 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC2OCCO2)N1 587833705 ORXRQWKPWYDINT-FKIZINRSSA-N 422.294 3.964 0 1 HHAF COc1ccc2c(c1OC)C1(C=C(C)N(CCCC(=O)O)C(C)=C1)N(C)[C@@H](C)C2 962574388 UXBBFFHCWKORFR-HNNXBMFYSA-N 400.519 3.764 0 1 HHAF COc1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1Cn1cc(Cl)cn1 962926304 AWSQIVYDAZWEKT-JOCHJYFZSA-N 424.932 3.530 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2coc3cc(Cl)ccc3c2=O)N1 963228968 PGIQPKNCTSTPOG-QUCCMNQESA-N 406.825 3.683 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccsc1)(N1CCC[C@@H](N)C1)C(=O)N2 1772608660 REVXYXMYDPWVSB-VGOFRKELSA-N 408.527 3.639 0 1 HHAF Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1)CS(=O)(=O)O2 1857570924 YLSKAFRCSGLHHS-INIZCTEOSA-N 419.300 3.797 0 1 HHAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@@]2(C)C[C@@]1(C)[C@]4(COC(C)=O)C(=O)OC 2356751478 IYXXBNQIKXAQMV-NGSHPTGOSA-N 422.525 3.567 0 1 HHAF S=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)Nc1ccccc1 2356868517 XCQJPZWGCKRXGX-BKULYWANSA-N 420.626 3.742 0 1 HHAF CN1C(=O)[C@H](OC[C@H]2COC(C)(C)O2)N=C(c2ccccc2)c2cc(Cl)ccc21 3599128 JUMFEAXDHKDELJ-JXFKEZNVSA-N 414.889 3.648 0 1 HHAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@@]3(O)CCCN3C2)cc1OC 14696014 IENDXFUDXJNFEN-DEOSSOPVSA-N 411.498 3.820 0 1 HHAF biogenic COc1ccc(CNc2nc(N[C@H]3CCCC[C@H]3O)nc3c2ncn3C(C)C)cc1 26649048 XSZUUWVULVZGON-ZWKOTPCHSA-N 410.522 3.743 0 1 HHAF CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 27208429 SCRVQDXDXQWJKU-AWEZNQCLSA-N 403.306 3.509 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2cccc(C)c2)[C@@H]1Oc1ccc(C(=O)O)cc1 27210952 UKJZGCDKZXSZGW-OAQYLSRUSA-N 410.470 3.957 0 1 HHAF CCOCC(COCC)Nc1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 40939080 NELHKMHPHBYGTL-UHFFFAOYSA-N 413.522 3.579 0 1 HHAF COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nn12 72178639 LLSXHTXXTKDPRH-UHFFFAOYSA-N 414.513 3.900 0 1 HHAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(NN)=NC=N[C@H]32)cc1 98084652 MMAVPPVRNUUMCW-RDGATRHJSA-N 409.493 3.930 0 1 HHAF CSCCN(C(=O)c1c(O)c2cc(SC)ccc2n(C)c1=O)c1ccccc1 100833492 XUQNKLNDKSWEBW-UHFFFAOYSA-N 414.552 3.976 0 1 HHAF CCOC(=O)CCCn1c2c(c(C)c1-c1ccccc1)C1=NC(=O)CN1C(SC)=N2 103006384 FYCRANNZPTZAAL-UHFFFAOYSA-N 424.526 3.760 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CCCCC2)c2cc[nH]c2c1=O 146469772 KYKIURODSVAASY-UHFFFAOYSA-N 414.527 3.896 0 1 HHAF CCO[C@@H](c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 207097994 MZDSAMHORBRGMM-SFHVURJKSA-N 411.955 3.858 0 1 HHAF C[C@H](CC(N)=O)N[C@@H](c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F)C1CC1 221755795 XKAUDUVIUBRRIV-XUSGNXJCSA-N 418.896 3.507 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(F)c2ccc(Cl)cc2F)CC1 222846867 QLIJDSZWYAYKRZ-UHFFFAOYSA-N 401.866 3.984 0 1 HHAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586932279 ZDPQQUHKQWGHOA-UHFFFAOYSA-N 400.287 3.699 0 1 HHAF CN(C)CCOc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587041220 ARIDOWLSTHMBQE-SFHVURJKSA-N 416.934 3.812 0 1 HHAF COc1cc(OC)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 587117818 GWJRLYLOILAXSD-UHFFFAOYSA-N 419.201 3.801 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2ccc3ncccc3c2[nH]1 587181865 GHRIZLRIJQJRPU-SNVBAGLBSA-N 403.227 3.830 0 1 HHAF CCOC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588548 RATDBZWFJIFSJX-CVDCTZTESA-N 405.406 3.841 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c[nH]c2ccccc12 587592998 ZUOVGEOZMBHIFK-WMZHIEFXSA-N 401.374 3.815 0 1 HHAF CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)ccc21 587595088 OPPLXXYBKGCCTI-GBXCKJPGSA-N 401.418 3.924 0 1 HHAF COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587596846 PMTRYWCOTQQQHI-NZQKXSOJSA-N 408.406 3.826 0 1 HHAF Cc1ccc(S(=O)(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606344 HGZJAIRKMIGCNX-NFBKMPQASA-N 424.474 3.895 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3c(O)nc4cccc2c43)N1 587777926 JWWUSJPLKLMCJZ-DGIBIBHMSA-N 402.267 3.825 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)([C@@H]2CCCNC2)N1 587790358 CGFQRYUBSZWYKR-RCDCFZSISA-N 404.327 3.761 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCOCC3)s2)N1 587857318 ZPYAKMMJHBVAPE-HWPZZCPQSA-N 412.328 3.505 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963709 QTULCUDFUIGLDD-ZIAGYGMSSA-N 413.499 3.530 0 1 HHAF OC[C@@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 653668901 WUUBEMISODLBSH-GOSISDBHSA-N 408.571 3.889 0 1 HHAF COc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 653861651 BTLDJJZRLYTECO-LBPRGKRZSA-N 422.876 3.593 0 1 HHAF COc1cc2c(cc1OC)[C@@](CSCC(=O)O)(c1ccccc1)N(C)[C@@H](C)C2 962621376 JLGRLLLKLWGJKU-OYHNWAKOSA-N 401.528 3.642 0 1 HHAF C[C@@H]1C2(CCCC2)NCC[C@@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963152402 UXMDLMHIMWVIAV-CGSMKXTHSA-N 421.563 3.527 0 1 HHAF CCN(CC)Cc1ccc(NC(=O)c2ccccc2)c(C(=O)C(=O)N(CC)CC)c1 1772616009 LVQOYSSNRSANSB-UHFFFAOYSA-N 409.530 3.832 0 1 HHAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)[C@H](F)c5ccccc5)cc4)c12)CCC3 1857535023 DIIRQVRVHUTGJL-LJQANCHMSA-N 401.445 3.971 0 1 HHAF COc1ccc(NC(=O)NCc2cn(Cc3ccc(Cl)cc3Cl)nn2)cc1 1857542652 GAAQCGRQGKKXRN-UHFFFAOYSA-N 406.273 3.964 0 1 HHAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 4051188 MVLMLUFVSRJKDS-FIXSFTCYSA-N 419.525 3.639 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(F)cc1F)[C@H]1CCCCN1C2=O 4563916 BDHSIKYMFCDMOB-YLJYHZDGSA-N 416.424 3.713 0 1 HHAF COCCc1nc2ccc(C(=O)N3CCC([C@@H](O)c4cccs4)CC3)cc2o1 12587942 SDFKXKFLVDULJH-HXUWFJFHSA-N 400.500 3.664 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2=O 15262577 DFSRAKRRKOYPCQ-QWRGUYRKSA-N 400.427 3.825 0 1 HHAF biogenic CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](C4=CC(=O)O[C@@H]4O)OC[C@]3(O)CC[C@H]21 39011406 UAVYWRNMUKTRDT-FRDMCHMUSA-N 418.574 3.967 0 1 HHAF Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(OC(F)(F)F)cc2-3)on1 49033220 FVADWXKWYJAGND-UHFFFAOYSA-N 416.363 3.587 0 1 HHAF O=C(OCCCCn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21)C(F)(F)F 82184582 VDHYEJXZBHWLNX-UHFFFAOYSA-N 423.395 3.794 0 1 HHAF COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175356 QAMRDZGBKVMJJI-SUMWQHHRSA-N 400.475 3.508 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=C[C@@H]4CCCC[C@@H]43)CC1)[C@H](O)C2 100043711 YOOZACONZOWRFD-BCYLSMINSA-N 407.620 3.962 0 1 HHAF Cc1ccc(OCCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101032150 BCXZCGAWVZYFKS-SZPZYZBQSA-N 418.493 3.568 0 1 HHAF Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 220765735 YEKADQKRALXHSB-UHFFFAOYSA-N 403.392 3.672 0 1 HHAF COc1ccc2nc(N3CCC[C@H]3C(=O)N[C@H]3CCc4ccccc43)nc(C)c2c1 299872918 IGABNJVJKFRRGC-UNMCSNQZSA-N 402.498 3.719 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 299882889 QMBGDWVVYSXZCH-YGFLIHCLSA-N 401.459 3.995 0 1 HHAF COC(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586958529 FQSYWRZYUVOONV-VWLOTQADSA-N 421.316 3.852 0 1 HHAF Cc1cc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)ccc1NS(=O)(=O)C(F)(F)F 587126358 YMFIXBFHQCANQO-UHFFFAOYSA-N 424.404 3.685 0 1 HHAF CCCOc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br 587257096 ZEBXZRQNVLXANC-GFCCVEGCSA-N 412.328 3.716 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345733 GKHIXYXOHGEAEX-NFBKMPQASA-N 405.381 3.746 0 1 HHAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCC(=O)O)=CO1 587356673 QJJQSYDLCWXBBK-IRLDBZIGSA-N 412.369 3.506 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1Br)OCCO4)[C@@H](C2)C3=O 587416638 DROZUCULEDSCKU-RNODOKPDSA-N 417.255 3.892 0 1 HHAF O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587570631 OTAFDYDJIIHHBC-WMZHIEFXSA-N 420.348 3.749 0 1 HHAF C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661617 SMXJHKWRSUUYCH-GVDBMIGSSA-N 423.488 3.588 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCN(C)CC2)N1 587764260 CQNNWRZISRAMNQ-SPLOXXLWSA-N 418.354 3.964 0 1 HHAF CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587766708 WNAUIQZVYJTUEF-BUXKBTBVSA-N 424.314 3.536 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCC(=O)O)N1 587792387 KSBXCGBMMQYECP-JEOXALJRSA-N 408.267 3.849 0 1 HHAF O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(=O)CF)c1 621431796 MMUMGIFXFGCUSB-QFIPXVFZSA-N 418.468 3.748 0 1 HHAF Cc1nn2c(=O)cc(-c3ccc4c(c3OC(C)C)OCO4)[nH]c2c1-c1ccccn1 653680377 ARAPGPRNQFNTRC-UHFFFAOYSA-N 404.426 3.576 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2nc(Cl)cnc2Cl)N1 962707876 YTMMGDDLBQRCFW-KOLCDFICSA-N 410.154 3.630 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccccc1OCC(=O)N1CCOCC1 963240568 KSHIDCZNHWFYJF-KBMIEXCESA-N 408.542 3.670 0 1 HHAF Cc1cccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)c1 1772580006 FEAAPOLQVVDUPG-LEWJYISDSA-N 400.469 3.926 0 1 HHAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCCCC2)n1 1857560124 UOGXIUULIZLNGW-QAPCUYQASA-N 405.506 3.804 0 1 HHAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@H]1c1cccc(Cl)c1 1857656458 JVVFJICPCKEIKC-SFHVURJKSA-N 403.916 3.798 0 1 HHAF COC(=O)CC[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCC(C)C)C(=O)OC 2356549186 UQURVAIEMADBIE-RBUKOAKNSA-N 415.571 3.515 0 1 HHAF COc1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccco3)n(C)n2)cc1 2356855075 QYYTXJASCJUEIA-NNMXDRDESA-N 406.530 3.656 0 1 HHAF O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2sc(COCCO)nc2c1 61907431 KRDLULGLGAQWNS-UHFFFAOYSA-N 410.417 3.754 0 3 HHAF CCNC(=O)[C@@]1(C)CCCN(Cc2cccc3c(OC)cc(C(=O)OCC)cc23)C1 61908557 QKMPIJVTOYYYNQ-DEOSSOPVSA-N 412.530 3.763 0 3 HHAF CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)c1C 602153 SNLBSUWBYOOLDF-UHFFFAOYSA-N 413.518 3.977 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4049670 VPPKJWXDEGCYER-XZYOPWHXSA-N 408.498 3.597 0 1 HHAF COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)c1 4052871 QOJSVWMGYBSFEF-JTHBVZDNSA-N 420.465 3.748 0 1 HHAF CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1Nc1ccc2c(c1)OCO2 9251818 KCPOZFIQCVYBAJ-UHFFFAOYSA-N 421.272 3.763 0 1 HHAF CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 13472346 WUHIIHNZITXJEK-UHFFFAOYSA-N 402.418 3.788 0 1 HHAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25429890 RCVJSMRTMPKXPZ-UZLBHIALSA-N 404.535 3.977 0 1 HHAF biogenic CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cc(Cl)ccc4C)CC3)ccc21 36092322 BSMJQIDSMIPDPD-UHFFFAOYSA-N 411.933 3.562 0 1 HHAF COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)cc1 49073364 IVQGRFKSMODDOI-OAQYLSRUSA-N 405.450 3.640 0 1 HHAF COc1cc(OC2CNC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1 72176743 VUOFCNLYVCPXKQ-UHFFFAOYSA-N 422.876 3.548 0 1 HHAF O=C(O)c1cccc(-c2ccc(/C=C3\CC(=O)N(CCc4ccccc4)C3=O)[nH]2)c1 73139151 SEQYTYJJFUVHIH-XMHGGMMESA-N 400.434 3.765 0 1 HHAF CC(C)NC(=O)N1[C@H]2CN(CC(F)(F)F)C[C@H]1C2c1ccc(Br)cc1 100087604 ORIAPRUJFKWFRS-KBPBESRZSA-N 420.273 3.581 0 1 HHAF O=C(C1CC1)N1CC[C@@H](Cn2cnnc2-c2ccc(-c3ccc4[nH]ncc4c3)cc2)C1 114630065 TZBNEYLGLSEMAS-MRXNPFEDSA-N 412.497 3.747 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CC(O)C3)no2)cc1C#N 117468327 DOFGEGUAJDTPNZ-OAQYLSRUSA-N 416.481 3.726 0 1 HHAF CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 138390796 KFBHIIAREVWWSV-UHFFFAOYSA-N 418.954 3.628 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2cccc(C#N)c2)c2cc[nH]c2c1=O 146780608 BNSZHEBFMWYDTO-UHFFFAOYSA-N 419.462 3.601 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 169355099 LBEMSNVHEADUTJ-SLFFLAALSA-N 408.527 3.715 0 1 HHAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(C(F)F)cc1F 226104166 TYNNDJIMSFTUKJ-ATEUNZGCSA-N 414.359 3.572 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3nc(Cl)c[nH]c-3n2)c1 587049595 RRHJPPCPULBWRU-UHFFFAOYSA-N 421.288 3.921 0 1 HHAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5CC4=C3C=C[C@@]21C 587561268 OQWXWONQFLBSEL-JAQAVICVSA-N 403.482 3.819 0 1 HHAF COc1ccc(OC)c(Nc2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)c1 587564313 PPJFNHYLMHTJBT-UHFFFAOYSA-N 411.443 3.629 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)s1 587608925 ALEKZYVWNPZYQW-UGKGYDQZSA-N 409.463 3.993 0 1 HHAF COc1ccc(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660626 QROQLCSWJJFIJP-UHFFFAOYSA-N 403.413 3.964 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 587707050 SHLMHSJGNOLUCH-RFAUZJTJSA-N 406.221 3.856 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757152 NJVPYMLXFZXELS-APBUJDDRSA-N 424.314 3.674 0 1 HHAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833700 ORMDSCXVTKEOOL-TVZGQMOCSA-N 414.315 3.840 0 1 HHAF Nc1ncnc2c1c(-c1ccc(N3CCCC3)nc1)nn2[C@H]1CCc2ccccc2C1 1857644061 CBJUIGMSVPUZKL-IBGZPJMESA-N 411.513 3.801 0 1 HHAF O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)C=Cc2ccccc2)CCCN1 2356391303 OROFOUPCOTVAJQ-QHCPKHFHSA-N 405.542 3.550 0 1 HHAF CC(=O)Oc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1C 206023735 UWJGPIREQOGLQT-KBXCAEBGSA-N 416.836 3.588 0 3 HHAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2c(F)cccc21 206035160 OPYSOKPYTFRNLU-LJQANCHMSA-N 413.836 3.989 0 3 HHAF COC(=O)c1ccc([C@H](/C=C/[C@@H](C)C(=O)N(C)C)NC(=O)OCc2ccccc2)cc1 7992684 UIZJWKFSENSXRW-FAWVJHODSA-N 424.497 3.721 0 1 HHAF O=C1CCCC2=Nc3nc(S)nc(O)c3[C@@H](c3ccc(Br)cc3)[C@@H]12 8656627 YYNMJQDNTKGFFZ-QWHCGFSZSA-N 404.289 3.821 0 1 HHAF C[C@H]1c2nc(C(C)(C)C)n(C)c2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 28956809 WQRYRLFGYZCEOY-GXTWGEPZSA-N 422.495 3.541 0 1 HHAF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(C(=O)O)c2)c(Cl)c1Cl 29342144 WGLMKEHGZHKEJI-UHFFFAOYSA-N 413.209 3.570 0 1 HHAF CCN1CC[C@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 95587743 UOMNMGVDCUVYQY-XMMPIXPASA-N 404.489 3.736 0 1 HHAF O=C1C(=O)N(Cc2ccco2)[C@H](c2cccnc2)[C@H]1C(=O)c1cc2ccccc2o1 100273352 BCJDNNFWCNRPAM-VQTJNVASSA-N 400.390 3.573 0 1 HHAF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 103229295 OCQOJNSDCOVTPF-XZZNXKJUSA-N 413.473 3.801 0 1 HHAF CC(C)(C)OC(=O)N1CC=C(c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)CC1 203845431 LYVKZDQAUCGJSU-UHFFFAOYSA-N 420.513 3.641 0 1 HHAF CS(=O)(=O)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 224876509 BMWMGZYVMLAKPI-UHFFFAOYSA-N 400.500 3.861 0 1 HHAF CC1=CCC[C@H]2[C@@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@@H](CO)[C@]2(C)CC[C@H](C)CCO 238769383 WWZZSZPMEOPTGE-TXIYWMGPSA-N 424.578 3.943 0 1 HHAF Clc1ccc2c(Nc3ccc4oc(=NCCN5CCOCC5)[nH]c4c3)ccnc2c1 474602230 ATRALBCDSCAEEV-UHFFFAOYSA-N 423.904 3.939 0 1 HHAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586957565 BONVTKIKWKBPHI-OAHLLOKOSA-N 419.812 3.704 0 1 HHAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 587071000 IVSDWZMKGCFCSA-UHFFFAOYSA-N 402.781 3.935 0 1 HHAF Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075560 HZSZSJWCAIAWLV-UHFFFAOYSA-N 415.906 3.628 0 1 HHAF COC(=O)c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cn1 587116318 CUYXFEDJZWGWIZ-UHFFFAOYSA-N 413.787 3.733 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCOCC1)(c1cc3ccccc3o1)O2 587399625 LGNASCWXPBKTDS-DEOSSOPVSA-N 406.482 3.906 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O 587420313 JPRAKBAVSHRSGJ-JXFKEZNVSA-N 417.383 3.631 0 1 HHAF Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587580799 ZJGCCAVVRYKIBT-HYBUGGRVSA-N 415.401 3.826 0 1 HHAF Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cn1 587621885 NSJFJJJHCPHJBO-UHFFFAOYSA-N 412.169 3.790 0 1 HHAF Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)n1 587622045 VLFOMUHOQSZNET-UHFFFAOYSA-N 412.169 3.790 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c1OCCO2 587832813 CZIDNTJQEAYPMJ-XTZNXHDOSA-N 408.267 3.992 0 1 HHAF COc1ccc2c(c1)[C@@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)N(C(C)C)CC2 962088353 FQTTUHPZVKDMBQ-QHCPKHFHSA-N 412.555 3.731 0 1 HHAF COc1cc2c(cc1OC)[C@H](/C=C\c1cn(Cc3ccccc3)nn1)N(C)[C@H](C)C2 962620455 HZZKRHFJWDHWQZ-GPPFWJIRSA-N 404.514 3.975 0 1 HHAF CCCNS(=O)(=O)c1ccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963096647 FVNACZFKEOUSMJ-UGKGYDQZSA-N 402.535 3.798 0 1 HHAF CCCc1nnc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)o1 963227765 RCDIOQLFNURSDU-UNMCSNQZSA-N 414.465 3.926 0 1 HHAF CC1=C[C@H](CNC(=O)Nc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356300289 GJIRBPZTNGYZIV-TUNNFDKTSA-N 414.594 3.731 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CC[C@@H](O)[C@](C)(O)CO 2356318620 HJHZTWIWIGULGO-ISKFKSNPSA-N 416.514 3.729 0 1 HHAF CC(=O)O[C@H]1[C@@H](C)C=C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]2[C@@H](O)CC(C)=C[C@H]1OC(C)=O 2356652857 SJYTXRWLBZATEJ-YYADKPTBSA-N 422.562 3.556 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2ccncc2F)CC[C@]1(C)O 2356700192 BNYSVEDNJHIKLD-SJBKTWHCSA-N 419.566 3.901 0 1 HHAF O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4205999 OQQWUYHRAIBGEQ-QUCCMNQESA-N 401.894 3.627 0 1 HHAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295855 PKBSLSMZIIHRQU-VIZZQPHQSA-N 403.885 3.637 0 1 HHAF Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N[C@H](C)c4ccccc4)c32)cc1 8604544 ZIHNUSUOKSVMMW-GOSISDBHSA-N 414.509 3.990 0 1 HHAF Cc1ccc(F)c(Nc2cc(Nc3ccc(OC[C@H](O)CN(C)C)cc3)ncn2)c1 13538034 RCBOIPKMQXPOTA-QGZVFWFLSA-N 411.481 3.713 0 1 HHAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C1CCC1 26674840 HGRRGCBKILHPNR-UUTAGUBPSA-N 404.547 3.896 0 1 HHAF Nc1nc(N)c2c(n1)N(c1ccc(Cl)cc1)c1cc(Cl)ccc1S2(=O)=O 45495695 OIRTULODSCWFAD-UHFFFAOYSA-N 408.270 3.564 0 1 HHAF CCCCOCCCNC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(C)C 82069937 NXSMPKDTVYHYQU-IBGZPJMESA-N 417.575 3.888 0 1 HHAF C[C@H]1CN(c2cccc(NS(=O)(=O)c3cc4ccccc4s3)c2)C[C@@H](C)N1 95598549 MUBPGSWJVHKKOJ-GASCZTMLSA-N 401.557 3.889 0 1 HHAF CCCN1C[C@@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 103224180 PYQMFEXIFSASPF-QUURXOELSA-N 403.526 3.903 0 1 HHAF Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1CCCCCC1 103269451 RKIYIDPWGBANQA-UHFFFAOYSA-N 400.972 3.934 0 1 HHAF COc1cc(COc2c(CN3CCOCC3)ccc3cccnc23)cc(OC)c1OC 144574994 YHPSVXTWXMPIRC-UHFFFAOYSA-N 424.497 3.672 0 1 HHAF NC(=O)/C=C/c1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12 146915633 KCKDQEVZBYMBAK-VAWYXSNFSA-N 409.493 3.900 0 1 HHAF O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226052957 WQUYEVUFAVZURZ-VHFSOBRXSA-N 422.435 3.889 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299876965 GMWPUZKNIGFKEC-JLGOVJKGSA-N 416.543 3.762 0 1 HHAF CCCn1cnc2cc(-c3nc4ccc(C(=O)OC)nc4[nH]3)cc(Br)c21 587003712 LZKRTXPKHNXYTJ-UHFFFAOYSA-N 414.263 3.934 0 1 HHAF COc1ccc2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)sc2c1 587034044 CDNLHYZVSNIWPH-UHFFFAOYSA-N 404.455 3.908 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)nc2[nH]1)C(F)(F)F 587091946 JUMCSFDISVAQAO-OAHLLOKOSA-N 415.213 3.884 0 1 HHAF CC1=C(c2ccc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3c2)NNC(=O)C1 587120254 FHOMRJGUIWZMNP-UHFFFAOYSA-N 412.375 3.881 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587259274 IDICHFQVPKFZHZ-ZDUSSCGKSA-N 408.289 3.971 0 1 HHAF CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587386801 KWXKSAODKVEETE-NFPSEPLVSA-N 407.514 3.886 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(N)c2C(=O)c2cccc(N)c21 587472972 PFTSFGACBZWNQN-VWLOTQADSA-N 414.461 3.963 0 1 HHAF CCOC(=O)CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587195 LQCWBSPQGOWWKR-URXFXBBRSA-N 419.433 3.988 0 1 HHAF C[C@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590917 DENQWWNJMFTSHL-ZJSXRUAMSA-N 418.449 3.501 0 1 HHAF Cc1noc2nc(-c3ccco3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 587651563 AZTODMQGKNCEDP-UHFFFAOYSA-N 406.785 3.843 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3s2)(C(O)O)N1 587855460 GHBDWFSYKPPRDQ-DGIBIBHMSA-N 422.319 3.891 0 1 HHAF COc1ccc(OC)c(-c2nc3cccc(I)c3[nH]2)c1OC 587926812 PDRXADDVTDXMDQ-UHFFFAOYSA-N 410.211 3.860 0 1 HHAF COc1ccc(CCCc2nc3cc(I)cnc3[nH]2)c(OC)c1 587929095 PYCLTUPBRSHPOP-UHFFFAOYSA-N 423.254 3.755 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@]12C=CO[C@@H]1COC(C)(C)O[C@]12C 962396891 HAYCFKXYARQQSS-FCEUIQTBSA-N 400.544 3.794 0 1 HHAF COc1ccc2c(c1OC)[C@@H](c1sc(N3CCOCC3)nc1Cl)N(C)[C@@H](C)C2 962617232 BACVIPITZISGSF-LRDDRELGSA-N 423.966 3.616 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccccc2)(c2ccc3nc(S)[nH]c3c2)N1 962905336 ZXOAJMUVMYMJEL-WMZHIEFXSA-N 419.481 3.882 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCCC2)n2c1COCC2)c1ccccc1Cl 1772578429 NZNVPLTUTKJPHU-GOSISDBHSA-N 415.921 3.789 0 1 HHAF Cn1c([C@H]2CCCN2C(=O)OC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)nc2ccccc21 1772578741 LHCWBKWHHYSBJC-CCVRWKAYSA-N 422.529 3.527 0 1 HHAF COc1ccc2c(c1)NC(=O)CN2c1nc(N2CCC(F)(F)C2)nc2ccccc12 1772592905 ZXPIWRBBRJQTBS-UHFFFAOYSA-N 411.412 3.574 0 1 HHAF COc1ccc(OC(F)(F)F)cc1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772629944 RDLFDASXDQYGEN-HNNXBMFYSA-N 423.347 3.954 0 1 HHAF COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1cc2ccccc2cn1 1857556852 KBDFUKAPHUWTIP-UHFFFAOYSA-N 419.506 3.812 0 1 HHAF CCOc1ccc(-c2nc(C(N)=O)c3nc(SC)n(-c4ccccc4)c3n2)cc1 1857562089 LVLAFLUXXOXMCW-UHFFFAOYSA-N 405.483 3.702 0 1 HHAF CC(C)=CCc1ccc(O)c2c1[C@@H](c1cc(C)cc3c1O[C@@H](C(C)(C)O)CO3)NC2=O 2356323861 FMZQVUPZAJIUSS-DENIHFKCSA-N 423.509 3.953 0 1 HHAF C[C@@H](C=C[C@@H](C)CO)[C@@H]1C[C@H](O)C2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356666511 ZAZQQOOBLLITLN-WCJGFKJUSA-N 418.618 3.833 0 1 HHAF COc1ccc(CCN2CCC(CN3C(=S)NC[C@@H]3CC(C)C)CC2)cc1OC 61936108 RQHWZQXRNWHNPO-FQEVSTJZSA-N 419.635 3.563 0 3 HHAF CN(CCc1ccccn1)CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)O 12480799 RSDUXCGQSIKBJR-PMACEKPBSA-N 424.545 3.591 0 1 HHAF biogenic COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O2)cc1 13704100 PLVHSDRBIYXRLL-POAOACHNSA-N 404.503 3.775 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccc(Cl)c(=O)cc1[C@@H](NC(C)=O)CC2 13826195 RDHYFVBDVFZPFM-INIZCTEOSA-N 403.862 3.516 0 1 HHAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3cccc(Cl)c3)CC1)OCC2 27882736 LWGZZIUYAPJUHV-JOCHJYFZSA-N 402.922 3.793 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc(C)c2)s1 82173350 SHXFREOFUQRMDR-INIZCTEOSA-N 407.543 3.840 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3Cc2ccccc2)cc1 95893631 ZXOBBKUOKCACCL-SDHSZQHLSA-N 414.505 3.685 0 1 HHAF CCOc1ccccc1-c1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)n1CC 101263105 CWPYVDQQUPMLSF-INMHGKMJSA-N 400.548 3.761 0 1 HHAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@H]4CC2C[C@@H](C4)C3)c1=O 114764718 OZNDXFHVAUDQDB-HOYVMXQJSA-N 419.525 3.841 0 1 HHAF CCCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142927545 HPKMFYOAMOHAPX-LLVKDONJSA-N 402.392 3.745 0 1 HHAF Cn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc21 147825555 UPAXHDXXIKFZOH-UHFFFAOYSA-N 409.449 3.861 0 1 HHAF CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O 205286248 SVHKQWJCWDOCNV-UHFFFAOYSA-N 407.898 3.502 0 1 HHAF COc1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 587006815 STUOMJFSNWEFFI-UHFFFAOYSA-N 411.259 3.606 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cn1 587081929 YNQUCBGAAVBDKK-UHFFFAOYSA-N 404.817 3.775 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2ccc(CO)cc2[nH]1)c1cc(F)ccc1F 587140751 PJEMOYKXOQHVPB-UHFFFAOYSA-N 415.421 3.801 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587202680 KLYQKHNNEYLAKD-CYBMUJFWSA-N 423.347 3.904 0 1 HHAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 587239136 IKELNZQGVPVKAT-LBJGKRIESA-N 402.495 3.522 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258814 TVVMAFQXFQMSCM-FQEVSTJZSA-N 422.554 3.989 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccc(Br)n1)O2 587371457 FNQKVMWMICGKTD-UCFODXPJSA-N 402.292 3.671 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(cc1C)N(C(=O)C(C)(C)C)CCO3)O2 587401682 WHDAKNQXQMLODU-GOSISDBHSA-N 409.486 3.759 0 1 HHAF COc1cc2c3c(c1)O[C@]1(/C(=C\c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O 587438807 QZJRYHGWYSSRHJ-QXZJSVCGSA-N 403.478 3.957 0 1 HHAF CCCCC[C@@]1(CC(=O)N[C@@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512835 PUAVOOHPJIKAAB-DVECYGJZSA-N 413.514 3.672 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CN(C(=O)OCc1ccccc1)C2 587582664 MTIZDQHPULQLBR-FQEVSTJZSA-N 417.417 3.745 0 1 HHAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754285 JJLDVCSBKQBNEM-RDXCRGQUSA-N 407.327 3.983 0 1 HHAF COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587810732 VTVFHERTZZONBJ-DGIBIBHMSA-N 408.267 3.878 0 1 HHAF COC(=O)c1cc([C@@]2(CC(C)C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c[nH]1 962628325 LUGWUXXYQKGZDN-CMJOXMDJSA-N 400.519 3.985 0 1 HHAF CN(C)Cc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)cc1 962638285 SOAIYNOQOZSVRD-QUCCMNQESA-N 408.420 3.509 0 1 HHAF CC(=O)[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962661927 IMFVQCIECPBHNP-GOTSBHOMSA-N 408.885 3.819 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706726 OICCJYLQBXAAMM-OPAMFIHVSA-N 417.550 3.741 0 1 HHAF COC(=O)c1cccc(C(=O)N2CCC(CO)(Cc3ccccc3Cl)CC2)c1 13594194 NAMCTMUNYOXAPH-UHFFFAOYSA-N 401.890 3.584 0 3 HHAF CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1 61896131 YJZVKNKGEGJXMB-JOCHJYFZSA-N 415.449 3.852 0 3 HHAF COc1cc2c(cc1OC)[C@H](C(=O)NCCC1=CCCCC1)[C@@H]1CCCCN1C2=O 2456130 VCISTBPUZYKIGI-UGKGYDQZSA-N 412.530 3.802 0 1 HHAF CCOc1ccccc1CNC(=O)CN1C(=O)c2cccnc2Oc2ccc(C)cc21 6878079 CNUKBZNCGGHZMY-UHFFFAOYSA-N 417.465 3.858 0 1 HHAF C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4c(F)cccc34)CC2)NC1=O 13674863 LWSDEDAXDVTMTG-MRXNPFEDSA-N 422.504 3.781 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4cc(O)c(OC)c(OC)c4)OC[C@H]23)cc1OC 14585234 WFZOUCNSEQSJLO-LATRNWQMSA-N 402.443 3.502 0 1 HHAF biogenic O=C(O)C[C@](O)(/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1)CCCCc1ccccc1 27627243 IADABNYTJMUSSX-IWPGROJLSA-N 404.503 3.557 0 1 HHAF CC(C)CCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCC(C)C 29485634 FFJCXJRZIJQQIZ-UHFFFAOYSA-N 413.459 3.701 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cc(NC3CCNCC3)ccc12 35285412 JETSRPSXVJTAGC-UHFFFAOYSA-N 406.511 3.713 0 1 HHAF CCCC[C@@H](CC)C(=O)N1CCN([C@H](CC)c2nc3ccccc3c(=O)n2C)CC1 45316279 ASFVPGNJHYYIMU-WIYYLYMNSA-N 412.578 3.745 0 1 HHAF COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3cccc(C)c3)n2)c1 49049034 LJUHDJQDGZIULU-UHFFFAOYSA-N 410.426 3.882 0 1 HHAF COc1ccc2cc(Br)ccc2c1CC(=O)Nc1sccc1C(N)=O 71318428 ARSMPAXBBRKQNF-UHFFFAOYSA-N 419.300 3.953 0 1 HHAF CC(C)(C)OC(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72184769 JEQWEYOCILCYBN-GOSISDBHSA-N 406.889 3.911 0 1 HHAF O=S(=O)(NCCCCN1CC[C@@H]2CCCC[C@@H]2C1)c1cnc2ccccc2c1 73169100 WXBBAKXKWONHGS-AZUAARDMSA-N 401.576 3.805 0 1 HHAF O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F 95893685 PTTVLLXGMCYJBL-KMDXXIMOSA-N 402.469 3.815 0 1 HHAF COc1ccc2nc(N3CCC[C@H]3C(=O)N[C@H](C)Cc3ccsc3)nc(C)c2c1 104462828 KTRQXSOJJPPGBG-VLIAUNLRSA-N 410.543 3.725 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713514 SZDSCLOAPYDVBU-BFTQBPNYSA-N 402.579 3.513 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(NC)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253632719 ATNLARLOBDNYEU-ZRKZVVNJSA-N 403.611 3.839 0 1 HHAF CCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)O)cc21 473152273 STYGMVVKIYRGTF-LJQANCHMSA-N 415.534 3.652 0 1 HHAF CCC(C)(C)c1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1 586880836 HOHXLVGZMAMJSN-UHFFFAOYSA-N 420.557 3.668 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C 586932895 KULMFQGMOBQJCX-JTQLQIEISA-N 423.764 3.790 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(C2(Cl)CC2)[C@H]1c1ccc(F)cc1 587324905 AVFKPIHMBIRCNR-GHTZIAJQSA-N 413.836 3.692 0 1 HHAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2ncnn12 587343559 CRDLDWMEGXNLQQ-UGKGYDQZSA-N 404.401 3.552 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nn4ccnc(O)c14)[C@@H](C2)C3=O 587435362 FHHFNHHHJVJYNT-QMHKHESXSA-N 413.433 3.908 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC1OCCO1 587618565 UTSDTYKTTSBORD-XUZZJYLKSA-N 420.417 3.847 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 587723991 DAGBYECLPDGRQD-WNWIJWBNSA-N 400.194 3.729 0 1 HHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812378 ZSBRDRDQBFIDKC-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587820579 APWBUFKLRNMJOT-MPBGBICISA-N 420.278 3.718 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587833786 IBYKZDRAMBJJTA-NSPYISDASA-N 412.299 3.964 0 1 HHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587934727 FJXNVKQJSGKMGU-JDNHERCYSA-N 405.248 3.869 0 1 HHAF COc1ccc2c(c1)N(CCC(=O)O)C=C[C@]21c2ccc(F)cc2C[C@H]2CCCN21 963098208 GEHRMPQKEWMBBS-KOSHJBKYSA-N 408.473 3.907 0 1 HHAF CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963509618 OJHSMFJMYZQYEG-PWWKTKHKSA-N 403.478 3.931 0 1 HHAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1cccc(Cl)c1 1857749369 JRAQRUQHTVPHFE-UHFFFAOYSA-N 414.914 3.749 0 1 HHAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1c1c(Cl)c2cc(C)c(C)cc2oc1=O 1911571579 WNUINKOYJVUQQN-MRXNPFEDSA-N 406.818 3.515 0 1 HHAF COC(=O)[C@]1(C)C2=C(CC[C@@H]1OC(C)=O)[C@]1(C[C@H](c3ccoc3)OC1=O)[C@H](C)CC2 2356421800 UXGNFHQNRCSBPH-CGNHDLSPSA-N 416.470 3.885 0 1 HHAF CC=C(C)C(=O)O[C@H](C)c1nc(C(=O)NC=CC(=O)OC)cc2c1[nH]c1ccccc12 2356713336 FYJIMBXWGFOPJQ-CQSZACIVSA-N 421.453 3.703 0 1 HHAF Cn1cc(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c2ccccc21 11873595 YCDIISYAWHWDIE-KRWDZBQOSA-N 405.498 3.549 0 3 HHAF COc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)cc1 12448261 OJCDTRJBSZIEAA-LJQANCHMSA-N 424.545 3.815 0 3 HHAF C[C@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Br)C(F)(F)F 13760222 DVKXFUZHRJKQPE-INIZCTEOSA-N 416.193 3.932 0 1 HHAF COc1cc2c(c(OC)c1O)-c1c(cc(OC)c(OC)c1OC)C[C@H](C)[C@H](C)[C@H]2O 95591147 ZDZSZGNUOYULAW-SYTFOFBDSA-N 418.486 3.964 0 1 HHAF COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 96931538 PZCULOYCYIAPBV-QFIPXVFZSA-N 414.465 3.551 0 1 HHAF CC(C)[C@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O 113664994 KEFDHFKROSPIPH-NRFANRHFSA-N 407.445 3.920 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 169356120 ORDMBNHJHVBOOO-RJGXRXQPSA-N 408.546 3.920 0 1 HHAF CNC(=O)[C@@H]1C(C)=C2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1C 169720524 CUWORVBSTFJMBF-VAMGGRTRSA-N 419.550 3.969 0 1 HHAF Cc1cc(N2C(=O)c3nn(C4CC4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O 220220786 FTHLNVOKHACXIU-HXUWFJFHSA-N 408.889 3.937 0 1 HHAF O=C(NCc1ccc([S@](=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1 223397118 YKTUZLHYXSJRBO-LJAQVGFWSA-N 413.405 3.598 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CC[C@H](C)C4)n3)C2)cc1 224874411 LYVSWYDAQGFMDC-NPPFBWRTSA-N 408.546 3.783 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4c(OC)nccc4[nH]3)cc2cc1Br 587000263 PKEFKVBBAPUOCF-UHFFFAOYSA-N 416.231 3.901 0 1 HHAF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587347763 MQDYITLDJCGMAQ-NZQKXSOJSA-N 405.381 3.746 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Br)c(Cl)cc21 587370093 BOFVZWWAWQUXQA-QGZVFWFLSA-N 407.651 3.806 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C 587474899 IEZAFRUPFMOYHE-QPMFXJJASA-N 416.518 3.745 0 1 HHAF CCOC(=O)COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587535760 NSSXJNMBXFRSID-FQEVSTJZSA-N 424.449 3.943 0 1 HHAF CCOC(=O)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594748 IMXTUQQSRQNZIQ-KNQAVFIVSA-N 406.390 3.977 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Br)cn1 587654643 XDGFOWKLYZJRPW-UHFFFAOYSA-N 415.197 3.883 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2N)OCCO3)N1 587747303 PMZGFFFGBOLUMB-DGIBIBHMSA-N 407.283 3.739 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 587767892 KBQAWBQTIKIKLT-JDNHERCYSA-N 411.271 3.633 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 587829556 XXIGXNBQUBBVCD-ZYHBXEDKSA-N 424.310 3.798 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NS(C)(=O)=O)N1 587842933 WVOPKGHEDKLRNE-QGHHPUGFSA-N 413.312 3.583 0 1 HHAF Cc1nnc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)s1 587857302 ZOFUXRWUSGDKQO-JTQLQIEISA-N 411.344 3.778 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-c2nc(CCOC)no2)cn1 587871456 HRODOUUTWIJKIO-UHFFFAOYSA-N 409.421 3.711 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1F 1857562507 ZYNQVSONEUMLNW-FQEVSTJZSA-N 413.424 3.579 0 1 HHAF Cc1ccccc1S(=O)(=O)NCc1ccc(CNC(=O)c2ccc(F)cc2)cc1 1857577755 OLWDHJZQDOXNHE-UHFFFAOYSA-N 412.486 3.543 0 1 HHAF CC(=O)NS(=O)(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F 1857752529 ZEHCZTUVWQIFRK-UHFFFAOYSA-N 410.225 3.675 0 1 HHAF Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2c(cnn2C2COC2)c1=O 1857754088 NGQRZDZGKXMNTL-UHFFFAOYSA-N 422.485 3.893 0 1 HHAF C=C1O[C@H]([C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2ccc(OC)c(OC)c21 2356590645 XKIFTXQTBJZSEZ-PMACEKPBSA-N 411.454 3.712 0 1 HHAF O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NCc1ccccc1 2356857506 SJHOCHXYZAQPGS-SSGKUCQKSA-N 404.466 3.713 0 1 HHAF CCOC(=O)Nc1nc(NC(=O)OCC)c2c(c1N)N[C@H](C)C(c1ccccc1)=N2 6403196 YFZYNEWERNLBBH-LLVKDONJSA-N 412.450 3.735 0 1 HHAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC2(CC(=O)O)CCCC2)C1 8624214 ONYFGXMIESKVCG-RTBURBONSA-N 422.529 3.838 0 1 HHAF biogenic COc1ccc2c(c1)c(CC(=O)NCCCO[N+](=O)[O-])c(C)n2CC1CCCCC1 28862833 FCIGGZKMWNZOFF-UHFFFAOYSA-N 417.506 3.796 0 1 HHAF CCCC[C@@](C)(OC)[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 29488525 GGDWDKDPRJFMHD-VIXAHBJISA-N 412.567 3.579 0 1 HHAF CN1CCC(N(C)c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1 35901711 IJRADFNTAYCYKO-QFIPXVFZSA-N 418.589 3.769 0 1 HHAF C[C@H]1CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1 40950027 RRMJGXWUBNPGIF-KRWDZBQOSA-N 400.544 3.642 0 1 HHAF CCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21 45259725 VLKZZNVOWQCIBI-QFIPXVFZSA-N 418.589 3.771 0 1 HHAF O=C(O)c1cccc(OC(=O)[C@H]2Cc3ccccc3N(Cc3ccccc3)C2=O)c1 45338133 NZKHLNSMSFQLOI-FQEVSTJZSA-N 401.418 3.696 0 1 HHAF Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1C 71317539 NVMHXLWQTVRZFA-UHFFFAOYSA-N 408.546 3.564 0 1 HHAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 72175859 PEUXWSARWNDXOQ-JXFKEZNVSA-N 418.946 3.809 0 1 HHAF O=C(CCCNc1nc(-c2cc(O)cc(O)c2)cs1)NCCOc1ccccc1 82195756 QPUHZMIXFVOKRS-UHFFFAOYSA-N 413.499 3.609 0 1 HHAF Nc1ccccc1CNc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1 96273133 AARWBLSNYKXRJZ-UHFFFAOYSA-N 420.565 3.818 0 1 HHAF COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc1 100107576 COQDKCRLRIUNRV-NUNAXRQHSA-N 400.482 3.729 0 1 HHAF CS(=O)(=O)N(CCc1ccccc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 149346823 PXCYCSUGDOEWNV-FQEVSTJZSA-N 422.550 3.660 0 1 HHAF Cc1ccc(OCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167401861 UFYVASPDELLSPI-UHFFFAOYSA-N 403.482 3.565 0 1 HHAF Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3cccnc3)c2n1 223662996 PCHIOTIMAAPOCB-CYBMUJFWSA-N 407.478 3.805 0 1 HHAF COc1cc(-c2ccc3[nH]nc(-c4cc(N5C[C@H](C)O[C@H](C)C5)ncn4)c3c2)ccn1 225567220 ZUVUGIBFOBZPJS-GASCZTMLSA-N 416.485 3.704 0 1 HHAF CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261091085 DMXFLQZSXCIUTO-KESTWPANSA-N 420.619 3.689 0 1 HHAF CC(C)C[C@H](N)C(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 504698939 PDDMVZNOKJCUEC-SFHVURJKSA-N 409.438 3.510 0 1 HHAF biogenic COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(N)c(N)cc3[nH]1)C(=O)OC2 586915444 NHWXEHWQVARDDA-WCIBSUBMSA-N 422.485 3.542 0 1 HHAF CC(=O)N[C@@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(Br)cc1 586986422 XIFSGNWAQSMNMR-AWEZNQCLSA-N 420.238 3.583 0 1 HHAF COc1ccc2c([C@]3(C(O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2c1 587524966 NZSLWAMUYAUWOG-VWLOTQADSA-N 404.462 3.899 0 1 HHAF CN1CC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587581278 GRBFVWOPXDMRER-HCYUJWNOSA-N 415.445 3.728 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593424 DCYQQPJJGBOUBJ-JPYJTQIMSA-N 412.438 3.661 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2c(c1)CCC2 587602648 IYIICTDSWLLLPG-HYBUGGRVSA-N 402.402 3.823 0 1 HHAF COc1cccc(NC(=O)c2c(-c3cccnc3)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587650207 HFGXCZBCGJRAPH-UHFFFAOYSA-N 421.478 3.894 0 1 HHAF Cc1cc(C)c([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587826089 KAFDDOXELHOICR-RNODOKPDSA-N 408.311 3.602 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 587851495 WTHPUXVLNFXEKI-GLEZIHRCSA-N 404.326 3.677 0 1 HHAF CC(C)N1CCC(Oc2ccc3c(c2)CCN([C@H]2CCN(C4CCC4)C2)C3=O)CC1 653757810 FFIARPFFHWEEEO-NRFANRHFSA-N 411.590 3.563 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@]3(CCOc4c(F)ccc(F)c43)N12 962647926 VHFMPEKTADQCRW-GOTSBHOMSA-N 410.420 3.638 0 1 HHAF COCC(=CC(C)(C)O)CC(C)=CCOc1c(OC)cc(C=CCO)cc1OC 2356349984 RRCRIMSLECPXLR-UHFFFAOYSA-N 406.519 3.768 0 1 HHAF O=C(C[S@](=O)CC(=O)Nc1ccccc1-c1ccccc1)Nc1ccc(F)cc1 15935690 YMFBPQOOQDMOHB-GDLZYMKVSA-N 410.470 3.819 0 3 HHAF O=S1(=O)c2c(F)cccc2O[C@H](COCc2ccccc2)CN1C1CCCC1 61931188 IZZHOLCJFZUGFW-SFHVURJKSA-N 405.491 3.737 0 3 HHAF Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199206877 KNCWCQSKISPSBT-HSZRJFAPSA-N 401.466 3.799 0 3 HHAF COc1ccc(NC(=O)c2csc(N3CCN(Cc4ccccc4)C3=O)n2)cc1 205229872 LOZNBYNSIOHDRO-UHFFFAOYSA-N 408.483 3.846 0 3 HHAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055139 JXMASSWBTSIIKE-MJGOQNOKSA-N 405.951 3.951 0 1 HHAF Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)n2)s1 14952192 HLEQFFPIXAPVEP-UHFFFAOYSA-N 403.895 3.900 0 1 HHAF Cc1cc(O)n2nc(CN(C(=O)c3ccccc3C)c3ccc(Cl)cc3)nc2n1 21796151 LVFXMJLLSKWHCE-UHFFFAOYSA-N 407.861 3.947 0 1 HHAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2cccc(N)c2)CC(=O)O1 27309363 NXGMKIMFJSFPEY-BEJPEKRESA-N 405.560 3.539 0 1 HHAF COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCC(c1ccccc1)c1ccccc1)C2 27714797 RNPJZLBDEUIAEM-ZEQRLZLVSA-N 403.522 3.954 0 1 HHAF O=C(Nc1ccc(O)cc1)c1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1 40899081 CVEJFXLBJJUAJA-UHFFFAOYSA-N 416.481 3.999 0 1 HHAF C[C@H]1[C@@H](c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1(=O)=O 43009744 ITYMMRKSCDTSQX-JTSKRJEESA-N 401.528 3.847 0 1 HHAF COc1cccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@H]3[C@]2(C)CO)c1 43554367 LTVRENYEGNIEJW-FXSVLNLJSA-N 417.502 3.753 0 1 HHAF biogenic CN(CCO)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 66105058 JUDSYBPGVVSXKO-UHFFFAOYSA-N 420.966 3.664 0 1 HHAF CN1CCC2(CC1)CNC(=O)c1c2[nH]c2c1CCc1cnc(-c3ccccc3F)cc1-2 72107190 YBBRQSXVZPVXFF-UHFFFAOYSA-N 416.500 3.688 0 1 HHAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(c1ccccc1)C(F)(F)F 73170136 RLDJZGNASCLVON-PMACEKPBSA-N 408.372 3.802 0 1 HHAF CCCCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)nc(F)nc21 103282842 BFUNBCOXQFSTRI-UHFFFAOYSA-N 417.485 3.745 0 1 HHAF COc1c([C@@H](C)Nc2ncnc(N)c2C#N)cc(Cl)c(F)c1-c1cncc(C#N)c1 146943468 RYVODQGTYUBTFL-SNVBAGLBSA-N 423.839 3.838 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc3ccccc23)s1 169688933 WTGFXIOUKKWEBF-MSOLQXFVSA-N 417.446 3.749 0 1 HHAF CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccncc2)c1 169690267 BULLYBBNUCPTFB-NHCUHLMSSA-N 418.449 3.533 0 1 HHAF O=C1C(Cc2ccc(O)cc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 299860420 JHPZMCZBWUFTAM-UHFFFAOYSA-N 414.461 3.742 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3cncc(OC)c3[nH]2)[C@H]1c1ccccc1Cl 587063410 UUBKFNVKBHKLQR-VBKZILBWSA-N 414.893 3.714 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3c(C(=O)O)noc3C)cc1)O2 587394371 FSXMLGITEFUCRN-LJQANCHMSA-N 408.410 3.857 0 1 HHAF C[C@@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517531 PHIOAFNHLJSCJN-CPJLOUKISA-N 403.478 3.964 0 1 HHAF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](N=O)C2 587574811 YXKOBUCHJXVMMA-JTAQYXEDSA-N 403.390 3.949 0 1 HHAF C[C@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611143 FNHLUDHCEWBICM-PGRDOPGGSA-N 406.463 3.925 0 1 HHAF COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587804252 DDWFJZVNZLGRIB-OVWNDWIMSA-N 408.267 3.878 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@]12C=CN(c1ccccc1)N=C2C(=O)O 962374711 MDEJWYHVAOSINL-HSZRJFAPSA-N 418.522 3.815 0 1 HHAF CCc1cc(C)cnc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963131697 AXIZJLQYZWTSIA-GDBMZVCRSA-N 403.504 3.745 0 1 HHAF O=C(c1cccc2nccn12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 1772606005 IKWKSHFODDVFDP-SFHVURJKSA-N 408.408 3.811 0 1 HHAF CC(C)(CCNC(=O)OC(C)(C)C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857607941 IFLQSICQUWYBAW-UHFFFAOYSA-N 408.506 3.614 0 1 HHAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(Br)cc3)CC2)c1 1857638074 FJRATRZCKRHGNF-UHFFFAOYSA-N 419.392 3.976 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](O)[C@@H]1[C@](C)(COC(C)=O)CCC[C@]12C 2356413230 SPCSGPZOUMTYFD-PEGLDLAYSA-N 408.535 3.554 0 1 HHAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)Oc3cc(O)c4c(c3C[C@H]12)C[C@@H](O)CC4=O 2356719177 PSTLLZRFPVSVAC-WZSWLMLMSA-N 412.526 3.997 0 1 HHAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@@]32C(=O)CCC(=O)C[C@H](CO)C1 2356801649 QTVNNEMBCMYHSR-DLHRTOTESA-N 415.574 3.613 0 1 HHAF COC(=O)[C@H](O)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356812977 CBTSGRWRWACHRS-SEAYQHCASA-N 422.606 3.537 0 1 HHAF C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCN3C=C4N=CC=C4C3)c2)CC1 2356876091 ZVGKTDSIMVSATQ-VUMVONDWSA-N 422.525 3.751 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4050177 ZYIOCXHZWOAYOF-XODKDNOYSA-N 416.880 3.991 0 1 HHAF COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21 4238627 SPFPBMAYRJWGOE-UHFFFAOYSA-N 407.861 3.897 0 1 HHAF CN(C)CCN1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 13558276 MEACBAWZUYUFSR-GHRIWEEISA-N 408.608 3.925 0 1 HHAF CCN(CC)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 13738773 COWYWLAVNZJTDL-UHFFFAOYSA-N 423.561 3.804 0 1 HHAF O=C(CN1CCN(Cc2ccc(F)cc2)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 22940482 QROPBBWLUACBHA-AREMUKBSSA-N 424.560 3.981 0 1 HHAF O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 25940296 GXJCHNMTEZVNMR-HOSYDEDBSA-N 418.803 3.699 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(=O)O)[C@@H]21 26153302 ZXAJNDWFQLRHQS-VWGSTFNSSA-N 406.519 3.678 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c2n[nH]c1C(=O)NC[C@@H]1CCCO1 28525645 VCYHUCFEOYVTLC-FTLSEIEPSA-N 421.541 3.594 0 1 HHAF CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 34011210 NHZONZJBEYDOIY-UHFFFAOYSA-N 411.568 3.959 0 1 HHAF Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(NCC(F)(F)F)n2)c1 71317109 KTMLZKYZENCGLO-UHFFFAOYSA-N 401.352 3.634 0 1 HHAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCCC(C)(C)C)c2cc1OC 82129072 PSAACCHRNWGXOQ-HNNXBMFYSA-N 402.539 3.704 0 1 HHAF COc1ccc(NC(=O)Nc2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 95590513 NPEBUHKYVYYXGK-UHFFFAOYSA-N 422.466 3.900 0 1 HHAF COC(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)c1 96272125 XMYFQOYPBIYMCP-MRXNPFEDSA-N 400.862 3.618 0 1 HHAF CCC(CC)n1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21 117689208 MXRWQCYXQVDVHQ-UHFFFAOYSA-N 416.533 3.889 0 1 HHAF C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)C1 145891662 RDMQDOTXHSIKFA-GOSISDBHSA-N 416.481 3.791 0 1 HHAF COc1cccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)c1 148527695 ZKIDUYABMPNYCF-GOSISDBHSA-N 424.522 3.630 0 1 HHAF O=C(Nc1ccc(O[C@@H]2CCCN(C(=O)C3CCC3)C2)cc1)N1Cc2ccncc2C1 166772107 BWBZRUYICNPDHX-JOCHJYFZSA-N 420.513 3.799 0 1 HHAF CN(c1ncc(C(F)(F)F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540733 HZWHDECITVVZEJ-ZDUSSCGKSA-N 404.392 3.528 0 1 HHAF CCCc1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1 220734981 FKUKOLIMTPBZQB-UHFFFAOYSA-N 414.482 3.841 0 1 HHAF Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cccnc4C(F)(F)F)ccc23)cn1 221616368 GQFPQYXMYKXLEO-UHFFFAOYSA-N 411.387 3.739 0 1 HHAF O=C(C[C@H](O)Cc1ccc(Cl)cc1)N1C[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1 223872376 PKCGAGXONWDTRK-NSISKUIASA-N 408.325 3.521 0 1 HHAF in-vitro N[C@H]1CC[C@H](n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1 261100602 GGPTUXLMOLCPJR-QAQDUYKDSA-N 410.481 3.930 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 586945240 DOIXSKSDFYCQFJ-CQSZACIVSA-N 419.934 3.957 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)c(Cl)cnc2[nH]1 586964693 JXVPUOYJHNRUDH-UHFFFAOYSA-N 423.333 3.722 0 1 HHAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587001302 XMTFGIOHIILEHF-UHFFFAOYSA-N 415.199 3.576 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 587114078 UXAZILLHIWAFBL-IBGZPJMESA-N 405.376 3.753 0 1 HHAF C[C@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341180 IQWJHWGTLODZMV-FYYLOGMGSA-N 416.412 3.781 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(Br)c(Cl)c41)[C@@H](C2)C3=O 587412546 IUFZCBDUOWDKDD-NIVTXAMTSA-N 420.646 3.706 0 1 HHAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591343 VIHKXWDDCUSQBQ-WZONZLPQSA-N 405.406 3.920 0 1 HHAF C[C@H](Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(=O)O 587594417 KVDNXBYXSMIYGR-MCVWCKRISA-N 406.390 3.947 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3coc(C)n3)c(=O)c3ccccc23)cc1OCC 587668958 JFXODOSCHLDDJK-UHFFFAOYSA-N 419.437 3.846 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2N)OCCO3)N1 587747301 PMZGFFFGBOLUMB-APBUJDDRSA-N 407.283 3.739 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3s2)(C(O)O)N1 587858045 OFVUSXPZPKGFIR-OVWNDWIMSA-N 422.319 3.891 0 1 HHAF Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@H]1C[C@@H]1CO 653847610 CEYYRHMGNJNJEA-YPMHNXCESA-N 412.408 3.909 0 1 HHAF COc1cc2c(cc1OC)[C@](C)([C@@H](C(C)=O)c1ccccc1C(=O)O)N(C)[C@H](C)C2 962640515 REHGLUILQUKSPZ-MQWOPBJLSA-N 411.498 3.866 0 1 HHAF Cc1c(O)ccc2c1[C@](C)(c1nc3cc(Cl)c(Cl)cc3[nH]1)N[C@H](C(=O)O)C2 963491317 LZJNDMUCVNSUHV-IFXJQAMLSA-N 406.269 3.746 0 1 HHAF CC(C)(O)CNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772573459 KZYUZRSQEAGNBF-UHFFFAOYSA-N 405.376 3.942 0 1 HHAF C[C@H]1C[C@H]1c1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCCCC2)n1 1857560123 UOGXIUULIZLNGW-MAUKXSAKSA-N 405.506 3.804 0 1 HHAF O=C(NOCCCO)c1ccc(F)c(F)c1Nc1ccc(Br)cc1F 1857586086 PHDRHLYQOXYTSF-UHFFFAOYSA-N 419.197 3.654 0 1 HHAF O=C(Nc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 2356298491 GVJQUGKOTMFGIV-WWPVKYPJSA-N 407.562 3.750 0 1 HHAF CC(=O)OCC1=CCC[C@@H]2[C@](C)(CCC(=CCO)CO)[C@H](C)C[C@@H](OC(C)=O)[C@@]12C 2356331714 NYTNVERZLHWZGZ-FMNRLAJQSA-N 422.562 3.561 0 1 HHAF O=C1[C@H]2C[C@@H](CN2Cc2ccc(F)c(F)c2)Oc2ccccc2N1Cc1ccccn1 2356559427 BNZYKAYNCKFHQA-PGRDOPGGSA-N 421.447 3.929 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc1OC 2356608782 HOCAAINDJYNCFZ-YKTUVVHCSA-N 402.443 3.502 0 1 HHAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccccc4)[C@@]12C)[C@@H]3O 2356648699 NHAOANQCNDNNRY-XOGADLTISA-N 416.514 3.508 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@H](C)[C@H]2[C@@H]1O 2356871935 YMXPCHARRQQITD-VVHJEBLUSA-N 412.574 3.523 0 1 HHAF O=C(c1nc2ccccn2c1CN1CCC[C@H](OCc2ccccc2)C1)N1CCCC1 55061098 QUYSPYUBGQJLMX-NRFANRHFSA-N 418.541 3.752 0 3 HHAF CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N[C@H](C)c1ccc2c(c1)OCCO2 6797325 JTBXEAYLMCBRNQ-CYBMUJFWSA-N 418.902 3.935 0 1 HHAF O=C1CC[C@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2cccs2)N1 15068294 YJRGJTIQIAHHFK-CYFREDJKSA-N 424.566 3.841 0 1 HHAF C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559621 NUSBNPJDZNYDIC-QXAKKESOSA-N 417.571 3.760 0 1 HHAF CC[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 62233295 IRSJHEFJLQWQEF-HNNXBMFYSA-N 408.454 3.589 0 1 HHAF O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cccs2)n1 82075374 WYOJWUXWCILALH-QGZVFWFLSA-N 421.478 3.654 0 1 HHAF CN(C)C(=O)[C@H]1CCC[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175013 OSBPLWDVVBUBGM-ZWKOTPCHSA-N 415.497 3.970 0 1 HHAF COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@H](N(C)C)C2 137285856 DUNOTSIJXJAZFG-AWEZNQCLSA-N 424.950 3.577 0 1 HHAF CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)ccn1 169709652 AXLAGMLKCIGYQT-UWJYYQICSA-N 412.534 3.859 0 1 HHAF C[C@H](c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1=O 219145683 MOGLXMSWLIMBRX-SNVBAGLBSA-N 422.798 3.624 0 1 HHAF CCn1cnc(CCNC(=O)Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1 299834259 LCMHSLJJLJYDPS-UHFFFAOYSA-N 422.514 3.948 0 1 HHAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)cnc2[nH]1 586946391 PPOHJBYUYQRDTO-UHFFFAOYSA-N 410.933 3.880 0 1 HHAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)nccc4[nH]3)ccc2s1 587034674 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CC(C)(O)c1ccc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962670359 QLULWFUXOGBSQY-DQEYMECFSA-N 404.510 3.824 0 1 HHAF CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1 1857562856 RJBGOUSXGQGEMG-UHFFFAOYSA-N 402.560 3.698 0 1 HHAF NC(=O)c1cccc(CSc2nc(O)nc(SCc3ccc(Cl)cc3)n2)c1 1857573018 QAABXKHKJDTRSD-UHFFFAOYSA-N 418.931 3.914 0 1 HHAF CC(=O)Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1 1857646446 ASXJFQBEPQZELJ-UHFFFAOYSA-N 402.863 3.556 0 1 HHAF Cc1cc(CNC(=O)c2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C2CCC2)n1 1911571981 KCXRARVKXIZHRH-CPJLOUKISA-N 419.525 3.744 0 1 HHAF COc1ccc(NC(=O)c2ccc(N)cc2NC(=O)c2ccc(N(C)C)cc2)cc1 13557987 GQQWRYTZDWSIFD-UHFFFAOYSA-N 404.470 3.848 0 1 HHAF CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H]5C(=CC[C@@H]23)C(=O)O[C@@]5(O)C[C@@]4(C)O)O1 38427611 ABMVTHXMVSOQJZ-AANOVVTHSA-N 416.558 3.885 0 1 HHAF CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]13 40380648 QWQUMFUHVQONHL-NQERJWCQSA-N 418.324 3.558 0 1 HHAF 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O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 586946305 JNDBRKMXLILDKB-KRWDZBQOSA-N 411.527 3.566 0 1 HHAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(F)cnc(Cl)c2[nH]1 586953715 QPOYSESGRFFQDJ-UHFFFAOYSA-N 409.855 3.675 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Cl)c(C)c2[nH]1 586965160 SGIYILLTCXEWCS-UHFFFAOYSA-N 401.927 3.982 0 1 HHAF O=C1CC=C(c2nc3cccc(OC(F)(F)F)c3[nH]2)NN1Cc1ccc(F)cc1 587164365 TXIOFPALTKCKRC-UHFFFAOYSA-N 406.339 3.879 0 1 HHAF Cc1nn(C)cc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342042 LHBCMXXWSFEPNF-WAMGAZATSA-N 421.472 3.903 0 1 HHAF CCc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358210 WEXOMXVYWIIBOV-URXFXBBRSA-N 408.425 3.659 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)N3CCC(C)CC3)cc1)O2 587396715 VTMBWDJNCUTPQJ-JOCHJYFZSA-N 408.498 3.921 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccoc1)CC2 587584393 XKOBNYDESASIAT-IBGZPJMESA-N 405.406 3.622 0 1 HHAF O=C(O)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587596427 OOSCRWAONUXTCY-OFNKIYASSA-N 406.390 3.949 0 1 HHAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611994 SUSZFBYEPQKELP-YKSBVNFPSA-N 416.385 3.919 0 1 HHAF CCOc1ccc(-c2nn(Cc3cnccn3)c(=O)c3ccccc23)cc1OCC 587668532 CZUWVAIXDQPKDV-UHFFFAOYSA-N 402.454 3.699 0 1 HHAF CCCC(=O)C[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797565 MGXZBDFRNVADKL-ZMZPIMSZSA-N 400.288 3.640 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587799836 ZDHWJXRGYMTJFX-APBUJDDRSA-N 405.267 3.717 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC2OCCO2)N1 587833721 ORXRQWKPWYDINT-YUNKPMOVSA-N 422.294 3.964 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 587834513 LBZJTUSRCDMYQJ-MGNBDDOMSA-N 408.267 3.992 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(N)(=O)=O)cc1 587866601 NTJPLRYWNSEILY-UHFFFAOYSA-N 411.405 3.604 0 1 HHAF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2ccccc2nc1N1CCOCC1 653720292 WYIIBWKCYNUYQI-HSZRJFAPSA-N 418.472 3.908 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@](CCC(=O)O)(c1cc(Cl)ccc1Cl)NCC2 962930179 LBKWBIFCALJWQH-NRFANRHFSA-N 421.324 3.949 0 1 HHAF CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3c(OC)ccc(OC)c32)o1 963635382 MDVHMCNUQSAZRH-WYRIXSBYSA-N 413.392 3.814 0 1 HHAF Cc1nc(NC(C)C)sc1-c1ccnc(Nc2ccc(N3CCCNCC3)cn2)n1 1772570770 HBUAOMASWHOWJB-UHFFFAOYSA-N 424.578 3.667 0 1 HHAF CC(C)[C@@H]1CC[C@]2(C)C1=CC[C@@]1(C)[C@H]2C[C@H](O)[C@@]2(C)[C@H](O)[C@@H](O)[C@@](C)(O)CC[C@@H]21 1857596966 WMNBQKASDSMKDY-VHTKSKENSA-N 406.607 3.665 0 1 HHAF COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2ccccc2)C[C@@H]1C(C)C 2356659393 ADVOQVPUOSRKHR-FDFHNCONSA-N 400.563 3.652 0 1 HHAF Cc1ccc2c(c1)-n1c(nc3cc(F)ccc3c1=O)[C@@H](Cc1ccc(O)cc1)NC2=O 61949242 QQDLNLPVCWCIBO-HXUWFJFHSA-N 415.424 3.566 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(Cl)cc1 72122009 GEBLYQLRVYWZNC-GOSISDBHSA-N 409.866 3.714 0 3 HHAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4039049 FBADSMWPOHDRAR-GPXNEJASSA-N 423.557 3.855 0 1 HHAF COCC(=O)Nc1ccc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)cc1F 13672881 LKZPGWNLZASXRI-UHFFFAOYSA-N 417.550 3.872 0 1 HHAF O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(-c2ccccn2)s1 28524346 HMBGJHCWZLRYIN-DENIHFKCSA-N 404.539 3.640 0 1 HHAF C[C@H](O)[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528318 MGSUIVHUDISMOK-HJPURHCSSA-N 409.505 3.804 0 1 HHAF O=S1(=O)N=C(Nc2c(F)cccc2Br)Nc2c(O)cc(Cl)cc21 28822698 MGNPAGUVQLDGRQ-UHFFFAOYSA-N 420.647 3.530 0 1 HHAF Cn1cncc1CNC(=O)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 49803727 DDKMQUXLSUUYKL-UHFFFAOYSA-N 410.481 3.812 0 1 HHAF COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1 73220871 JCTPGWIOTVQRJJ-UHFFFAOYSA-N 403.402 3.529 0 1 HHAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 82204725 UVUZGAMVJXYYDS-UHFFFAOYSA-N 411.333 3.639 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632987 BEXCKJYGXSFUQW-UGSOOPFHSA-N 409.486 3.981 0 1 HHAF CC(=O)OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(I)cc1 100912869 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SPDXMPWYKQHATD-WGPODGFPSA-N 406.563 3.603 0 1 HHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(Br)c2[nH]1 586963213 YFADDWDABRUVPN-RXMQYKEDSA-N 400.689 3.910 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3[nH]nc(I)c13)O2 587386933 MSAJCVGEPAJKKP-CQSZACIVSA-N 419.222 3.765 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421572 UMSKOKYUQVYPKY-ZHRRBRCNSA-N 414.841 3.514 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)c5nc6nc(O)nc(O)c6cc5C[C@]34C)[C@@H]1CCC2=O 587561777 KWMFKQYAHJJCDY-ZYXURGJSSA-N 421.497 3.603 0 1 HHAF Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2c1c(Br)cc1n[nH]cc12 587623373 RHSQQCJAWHLXEX-UHFFFAOYSA-N 422.290 3.883 0 1 HHAF CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccc(F)c(Cl)c12 587631661 GLYAQADECHAYIL-UHFFFAOYSA-N 400.793 3.933 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3ncc(C)cc3N)c(=O)c3ccccc23)c(O)c1 587664244 CYRWPPQHTKTPFO-UHFFFAOYSA-N 415.497 3.890 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(F)ccc1F 587868772 SHBNGTJBZKGGCE-UHFFFAOYSA-N 413.302 3.970 0 1 HHAF Cc1cc(OCCn2c(O)ccc2OCC[C@H](N)C(=O)O)c(C(C)C)cc1Cl 587943138 NCTGEPVGFAQLSL-INIZCTEOSA-N 410.898 3.539 0 1 HHAF CC(C)(C)NCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653727829 NJKARJRHITYPBM-HXUWFJFHSA-N 403.482 3.859 0 1 HHAF COc1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(C)c1OC 962638714 MHXDTCARSYMSLF-GBXCKJPGSA-N 406.482 3.748 0 1 HHAF COc1ccccc1C(=O)C[C@]1(C)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642408 ZRJAWBFHFWWSHP-UZLBHIALSA-N 423.387 3.681 0 1 HHAF Oc1ncc([C@@H]2CCC[C@]3(C2)c2cccc(F)c2CCN3[C@H]2CCSC2)c(O)n1 962711821 PYKNFKPJZZGEAN-GTQRCTGISA-N 415.534 3.944 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCCc3[nH]c4cccnc4c32)N1 962983703 ZCRBDYIEQQAFIW-VBKZILBWSA-N 403.816 3.673 0 1 HHAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccccc3)c2)CC1 1772637818 IEPWXJMVKHXIHS-UHFFFAOYSA-N 407.558 3.995 0 1 HHAF Cc1ccc2c(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)cc(=O)oc2c1 1857598275 JKPUGUAMIBFBGE-UHFFFAOYSA-N 403.467 3.910 0 1 HHAF O=C(c1ccc(Cl)s1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55109329 VBJSFIIOHUWINU-KRWDZBQOSA-N 407.942 3.967 0 3 HHAF CCS(=O)(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCC3)C2CC2)c1 13761610 LZZGJWXZAAPEDQ-IBGZPJMESA-N 417.527 3.918 0 1 HHAF COc1cccc(CN(C)C(=O)N2C[C@@H](N)[C@H](c3ccc(Cl)cc3Cl)C2)c1 28899470 MUPPANDMUHSZRP-PKOBYXMFSA-N 408.329 3.981 0 1 HHAF O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Br)cc1 46709057 UUDDCSKDEFYJBJ-KRXBUXKQSA-N 410.245 3.536 0 1 HHAF O=C(OCCc1ccccn1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069573 VFURIMUGWJJCSU-GOSISDBHSA-N 421.522 3.843 0 1 HHAF COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OC(C)=O)c(OC)c2)cc1OC 96922512 BKCXUJUKDVRHDW-OALUTQOASA-N 400.471 3.686 0 1 HHAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)cc1 100106964 KLNUDWNDWVYILD-UBRQYEGLSA-N 404.535 3.791 0 1 HHAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc2ccccc12 101045180 ZICGUURZNAJJKQ-IYARVYRRSA-N 407.493 3.988 0 1 HHAF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@H]1CC2c3ccccc3C1c1ccccc12 103229301 OCQOJNSDCOVTPF-JULQRDMDSA-N 413.473 3.801 0 1 HHAF O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 103254470 IJDYEKNALMKYHL-KTXOBNNYSA-N 400.429 3.549 0 1 HHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(CO)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1 153198025 IBSSTHUKHGWWLF-HARDVPCQSA-N 402.623 3.993 0 1 HHAF OCc1cc([C@H](O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O 169351231 KDMOZVPKQLUQFY-AREMUKBSSA-N 418.537 3.983 0 1 HHAF O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(Cc1ccccc1)C[C@@H]2O 169694061 XGZOQJBQECHXJE-FPOVZHCZSA-N 420.431 3.575 0 1 HHAF CNS(=O)(=O)c1ccc(F)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 204186201 BEGGCRSAEDQFNP-UHFFFAOYSA-N 407.858 3.664 0 1 HHAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1 207610905 WURIOZMXFUGBMX-UHFFFAOYSA-N 412.457 3.578 0 1 HHAF in-vitro CC(=O)N[C@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(Br)cc1 586986424 XIFSGNWAQSMNMR-CQSZACIVSA-N 420.238 3.583 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070605 SJQIKVCHOPIACF-HNNXBMFYSA-N 420.966 3.532 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1 587225686 RGVKWPSNMWQGAD-UHFFFAOYSA-N 417.263 3.824 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cc(C(=O)O)n1C)CC2=O 587456770 BEIKGQDCAJCGRC-HNNXBMFYSA-N 408.248 3.850 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CCn1cncn1)(c1ccc(OC)cc1)CC2=O 587474247 DIUFNXMAKAEMBF-HSZRJFAPSA-N 407.470 3.896 0 1 HHAF O=C1C[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)Oc2c1ccc1c2CCCC1 587507542 NGJJGBXGHKILLR-NRFANRHFSA-N 404.434 3.882 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)cnn2C)N1 587680767 QIPZXOXAMVMKNT-ANRSDYALSA-N 417.120 3.882 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 587723082 VJQJIUCNKBNBIJ-QTTZVWFDSA-N 408.193 3.670 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)s2)N1 587849287 SBCOSDVKYPIFCG-BBATYDOGSA-N 410.356 3.683 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC2CC2)cc1 587871674 BDDBTXVTQUZWNR-UHFFFAOYSA-N 401.463 3.518 0 1 HHAF CO[C@H](C)COC1CCC(c2nc3cc(I)cnc3[nH]2)CC1 587952199 MTBNOFUEZGKYLQ-XSRFYTQQSA-N 415.275 3.640 0 1 HHAF CC(=O)c1ccc2c(c1)[C@@]1(CCC[C@@H](C)C1=O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962622149 CGHCKOYVFSETMQ-ZGJHTFNLSA-N 415.486 3.720 0 1 HHAF CC(C)=C1Oc2c(ccc(O)c2C)[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963222065 GFFUSCLUEZDHPA-YADARESESA-N 402.450 3.778 0 1 HHAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C2(C[C@H]3C=C[C@@H](C2)O3)N1C(=O)c1ccccc1 963391688 WUEUXIADVNUXMA-CGKYEZASSA-N 414.461 3.632 0 1 HHAF O=C(Nc1c(OCc2ccc(Cl)cc2)cccc1C(=O)NCCO)c1ccccc1 1772603560 VRNPGPCUNXCWQG-UHFFFAOYSA-N 424.884 3.893 0 1 HHAF CCCCC[C@H]1CCc2c(sc(NC(=O)N3CCN(C)CC3)c2C(=O)OC)C1 1857599854 YQQQNXWXASXBRR-HNNXBMFYSA-N 407.580 3.999 0 1 HHAF CN(Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1 2356286380 PBPOKPBNPIAWHR-FUDKSRODSA-N 408.615 3.815 0 1 HHAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@H]2[C@@H](O)C[C@@]1(C)O 2356437956 NMCFENXKFAREEU-QOCBUHPSSA-N 420.590 3.912 0 1 HHAF C=C1C2=C(Cc3occc31)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@]1(O)C[C@H]2OC(C)=O 2356672711 VBLHHNLILNJNIZ-FAYOUJPWSA-N 414.498 3.970 0 1 HHAF COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4cnn(C)c4)CC3)c2)c1 15080470 CGDDDHWBSMECAI-UHFFFAOYSA-N 404.514 3.946 0 3 HHAF O=C(NCCCN1CCCC1=O)c1c(-c2ccccc2F)noc1-c1ccccc1 2482426 OKFZYBBJPGJBQV-UHFFFAOYSA-N 407.445 3.890 0 1 HHAF OCCN1CCN(CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 22461021 HEOKVTVEOGBPRI-QFIPXVFZSA-N 418.990 3.662 0 1 HHAF CC(=O)SC[C@H](C(=O)N[C@@H](C)C(=O)OCc1ccccc1)[C@H](C)c1ccccc1 26021042 YRNMSDWCGDCPGU-WWMYMODYSA-N 413.539 3.934 0 1 HHAF CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@@H]1O 38798069 XBDPKIKSINIXBV-WFDNUEBKSA-N 414.542 3.940 0 1 HHAF c1cc(CNCCN2CCNCC2)cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45188545 MTAKRTAVAWBNFR-UHFFFAOYSA-N 411.553 3.892 0 1 HHAF CCCCN(CC)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066948 FLNLHCVLNCMJGP-SFHVURJKSA-N 401.511 3.890 0 1 HHAF CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181266 FULMREFRFIXWSW-UHFFFAOYSA-N 424.892 3.796 0 1 HHAF CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 82184733 JYGJEDSCOQPGKJ-OAQYLSRUSA-N 412.505 3.733 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)[C@@H](O)C2 100640443 UWYRWJIHAHDDCD-KPDCDPCYSA-N 419.562 3.703 0 1 HHAF CC[C@H](C)n1c2cnccc2c2cnc(Nc3ccc(N4CCN[C@@H](C)C4)cn3)nc21 169706779 LFDCAGWSNIVJEU-HOTGVXAUSA-N 416.533 3.887 0 1 HHAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C(C)C)nc3n2)cc1CO 205173448 OYHFLRHRRAMMKF-HNNXBMFYSA-N 408.502 3.541 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(nnn2-c2ccccn2)C1 218412217 LYZPFJOSYJKSFW-UHFFFAOYSA-N 407.783 3.533 0 1 HHAF O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)N1CCCCC1 223679214 BAURNXZPKNTKMU-OAHLLOKOSA-N 423.546 3.545 0 1 HHAF CCc1cc(O)nc(SCc2nc3ccc(I)cc3[nH]2)n1 586967035 RPYGRSKEPMLGIX-UHFFFAOYSA-N 412.256 3.518 0 1 HHAF Cc1nc(C)c(Cc2nc3c(I)cnc(Cl)c3[nH]2)s1 587011801 KPAKFTOEHRLNHM-UHFFFAOYSA-N 404.664 3.880 0 1 HHAF COc1ccc(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1F 587143994 GZLDYSCFZCQXFL-UHFFFAOYSA-N 417.396 3.940 0 1 HHAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587203776 MCIXPIIWUSLCOZ-QGZVFWFLSA-N 421.526 3.918 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 587756774 FKWTUSHHXVPXKB-CWTRNNRKSA-N 401.283 3.967 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCNC3=O)c2)N1 587768316 ULZLZTZRTBTCIL-YUNKPMOVSA-N 418.310 3.916 0 1 HHAF CCC[C@@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587792333 BPWVYURVYSDUII-ZMZPIMSZSA-N 400.288 3.640 0 1 HHAF COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1OC 653780749 FWHHRBMLQOYRQF-IBGZPJMESA-N 420.513 3.830 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3nc(C(F)(F)F)cs3)N12 962669992 QTYLUQBVUQXSEN-KDOFPFPSSA-N 407.417 3.898 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(-c3ccccn3)[nH]n2)N1 963174078 QBNWICQSCFPWDS-PBHICJAKSA-N 422.794 3.832 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cn3cc(Cl)cc(Cl)c3n2)N1 963231909 RYUQKAQYDVAMRE-WMZOPIPTSA-N 413.264 3.878 0 1 HHAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)Cc1cnccn1 963856217 URCIJUISNXUWML-JPYJTQIMSA-N 411.502 3.879 0 1 HHAF CC(C)(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 1857644872 FWDABSXGCXPEMC-UHFFFAOYSA-N 416.587 3.806 0 1 HHAF CCCNC(=O)c1cc2c(Br)cc(Br)c(O)c2nc1C 1857764705 BATPJDHRBYQPLB-UHFFFAOYSA-N 402.086 3.914 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356754647 IKFYJZJOCLACAH-LSQMVHIFSA-N 419.500 3.717 0 1 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2ccc(F)cc2F)nn1 203462964 VIFNVLNJCCWWDQ-UHFFFAOYSA-N 411.412 3.555 0 3 HHAF C[C@](CCCCC(=O)O)(NCCc1ccc(O)cc1)c1nnnn1C1CCCCC1 205857511 OFKLFBFDDAEVBR-JOCHJYFZSA-N 415.538 3.576 0 3 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@@H]3CCCC[C@H]32)cc1 263590517 PJSRLBULLRQHBL-NJYVYQBISA-N 415.511 3.649 0 3 HHAF COc1cc2c(cc1OC)[C@H](C(=O)N(C)C1CCCCC1)[C@@H]1CCCCN1C2=O 2456112 GAGVQHJYTIYDQP-RXVVDRJESA-N 400.519 3.587 0 3 HHAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4054965 MRAUPNNKOJSKPA-QUCCMNQESA-N 401.894 3.627 0 1 HHAF COc1ccc([C@@H](CCCC(=O)CCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 6744948 YJTFZPUDXPSWOJ-KRWDZBQOSA-N 411.502 3.774 0 1 HHAF Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)c1 100096364 FPRBUCVKILHCGL-FIDNPTQWSA-N 422.525 3.930 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@H]2OC(=O)NC2=O)cc1 29322094 PHKPMIXOYKYKBG-HXUWFJFHSA-N 406.438 3.839 0 1 HHAF O=C(N[C@H]1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2NC1=O)c1ccco1 28572174 XQISGTFEXVLYIS-GOSISDBHSA-N 413.355 3.844 0 1 HHAF CC(=CCc1c(O)cc2c(c1O)COC2=O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356451859 UGAPAMJJWSEADB-HXUWFJFHSA-N 404.503 3.896 0 1 HHAF NC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1cccc(Br)c1 72173449 DAXHLHGOFQTXRD-QPJJXVBHSA-N 424.092 3.962 0 1 HHAF O[C@@H](CNCCN1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72141258 OTEOUYBEGDLNHY-HNNXBMFYSA-N 421.385 3.991 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@H](c3ccccc3F)C[C@@H]2C1 40786859 KUJMNMMGYFPINT-RBSFLKMASA-N 417.912 3.820 0 1 HHAF Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCC(=O)N1CCOCC1 45259965 ANHUHZSBZDOOAQ-PBXXJUDPSA-N 412.574 3.731 0 1 HHAF CCCCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085799 GSWZMBJGHOGUES-UHFFFAOYSA-N 410.923 3.895 0 1 HHAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 84652753 VYBAYBPEFHPCRU-CQSZACIVSA-N 406.523 3.915 0 1 HHAF in-vivo Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175274 PPRBSDCAAZRDHI-QRWLVFNGSA-N 418.522 3.750 0 1 HHAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255208818 FBUKMTQUBMAGGF-IXXWQLJNSA-N 406.563 3.657 0 1 HHAF COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)Nc4ccccc4)c3)nn2)c1 299825859 CNAMNBMWIKKXOW-UHFFFAOYSA-N 416.437 3.909 0 1 HHAF COc1ccc(-c2oc(C3CC3)nc2C)cc1S(=O)(=O)CC1CCC(O)CC1 299834237 RDBHRLNLEQFQON-UHFFFAOYSA-N 405.516 3.861 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1 653916432 YTKWUPOROJGBDN-UHFFFAOYSA-N 400.862 3.876 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccco3)CC2)N1 587766396 GOCGUOJNAQYCIA-GFCCVEGCSA-N 407.283 3.847 0 1 HHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccncc1 587393841 ADZHPJIRUMPIGO-HXUWFJFHSA-N 404.422 3.907 0 1 HHAF COC(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 586979810 CKQQKYNKYIAQEB-UHFFFAOYSA-N 419.231 3.512 0 1 HHAF C[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)Cc2ccc(F)cc2C(=O)O1 587174963 UBZOWYWCQFDVDF-OAHLLOKOSA-N 400.719 3.744 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(OC)c3N)nc2c1 587135052 RGEDUJNRVNJSFK-UHFFFAOYSA-N 408.227 3.899 0 1 HHAF CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587755526 ASVYPYDGRAYTHB-UFAGZECESA-N 423.326 3.633 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 587767957 SGVHDUFKBCHPEL-BLVKFPJESA-N 408.315 3.557 0 1 HHAF CC(=O)NCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570977 KENUOEXGPQCJTN-RDGATRHJSA-N 417.461 3.948 0 1 HHAF CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593450 DJQAIXWSLRUUDZ-ZJSXRUAMSA-N 420.417 3.908 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccnc1-c1ncccc12 587589920 YVOHTNMDUSHTMQ-DFBJGRDBSA-N 422.396 3.903 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3OCC[C@@H]3C)c(=O)c3ccccc23)c(O)c1 587667807 SYZIHDUCHGLTMX-OYHNWAKOSA-N 421.497 3.681 0 1 HHAF O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)c(F)cc2[nH]1 586999499 DCRHTFKARLNWOW-UHFFFAOYSA-N 408.202 3.572 0 1 HHAF NC(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027876 UANWHHIFDKETLI-QGTPRVQTSA-N 408.527 3.798 0 1 HHAF O=C(O)c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1F 963201158 YDKFADFWQJDCIQ-HIFRSBDPSA-N 417.742 3.884 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963588570 ZBYKOBFRKVODPB-VOIUYBSRSA-N 411.498 3.578 0 1 HHAF FC(F)(F)C(NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)C(F)(F)F 1772611146 GOGLAPDRDRUKOZ-MGCOHNPYSA-N 420.361 3.962 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3ccccc3)c(OCc3ccncc3)ccc12 1772590618 PNQHMCKLJPIQNO-UHFFFAOYSA-N 415.449 3.666 0 1 HHAF CC[C@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)cc1F 1772626229 COSNUMTYCHOHBI-ZDUSSCGKSA-N 412.343 3.739 0 1 HHAF C=CC(=O)Nc1ccccc1[C@H]1CCNc2c(C(N)=O)c(-c3ccc(Cl)cc3)nn21 1772617282 GJOMMDPXVSZLQK-QGZVFWFLSA-N 421.888 3.832 0 1 HHAF CCCN(CCCCN1C[C@@H]2CCC[C@@H]2C1=O)[C@@H]1COc2cccc(OC)c2C1 12356325 ZSCQNYLCSNCYIW-UFYCRDLUSA-N 400.563 3.749 0 1 HHAF Cc1c(C(=O)OCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 13602513 QZFLHQMXVWIFAC-UHFFFAOYSA-N 411.405 3.862 0 1 HHAF C[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O)C(=O)O 14976909 XKZHNFLHDHLLRG-WKZZHUGKSA-N 422.606 3.695 0 1 HHAF in-vitro CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1 169706975 MHDWRVPLPQMCTJ-QGZVFWFLSA-N 406.461 3.706 0 1 HHAF O=C1C(=O)N([C@H](CCc2ccccc2)c2nnnn2Cc2ccccc2)c2ccccc21 206050328 LEJWZDYTLFGKEV-JOCHJYFZSA-N 423.476 3.625 0 3 HHAF COc1cc(OC)cc(N(CC(C)(C)O)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204149868 VIMGDHNUHDOJNR-UHFFFAOYSA-N 419.485 3.946 0 1 HHAF Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(Nc4cn(C)nc4C)c3)C2)cc1 1857577884 TWQFOMGBBKQDLI-FQEVSTJZSA-N 418.545 3.708 0 1 HHAF COc1ccncc1-c1cc(C(=O)Nc2nc3ccccc3n2CC(C)(C)O)ccn1 1857586792 QWYLFZROSUGBFJ-UHFFFAOYSA-N 417.469 3.525 0 1 HHAF CC1(C)CN(C(=O)CCNC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 202691308 VYECHDKKEHLGPW-QHCPKHFHSA-N 414.933 3.606 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C 104557036 YEBWVORVAAIZRK-WWMWMYKSSA-N 404.595 3.926 0 1 HHAF COc1ccc2c(c1)nc1n2[C@H](CN(Cc2cccnc2)Cc2cccnc2)COC1 2356309812 PRXMCMZVMHRCCI-HXUWFJFHSA-N 415.497 3.609 0 1 HHAF O[C@H]1c2ccc(-c3cc(F)ccc3-c3nnn[nH]3)cc2OC[C@@H]1Cc1ccccc1 29476684 SAPBASAGKVXQQV-KSFYIVLOSA-N 402.429 3.958 0 1 HHAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2cccc(F)c2)C=C1C 2356847894 PAICLUJCWNFTIA-QKNQBKEWSA-N 404.526 3.563 0 1 HHAF O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC2CCC(F)(F)CC2)cc1F 216258970 RRAGYXWNGYOCFX-UHFFFAOYSA-N 411.829 3.658 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 72119928 ZOEXYEMQSFTACS-YTFSRNRJSA-N 408.546 3.920 0 1 HHAF CC1(C)C[C@H](NC(=O)c2cccs2)[C@@]2(CCC(=O)NC3CC3)CC[C@](C)(O)C[C@@H]12 20464645 KVJFIQLBEWFJNK-PTRHGPIFSA-N 418.603 3.873 0 1 HHAF biogenic COc1cccc(Nc2nc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)c1 43019935 BAMJOPBFMIZRGQ-UHFFFAOYSA-N 415.471 3.734 0 1 HHAF CN(CC(=O)OCCc1ccccn1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085848 GPEDKQBHIGNVFY-UHFFFAOYSA-N 415.449 3.748 0 1 HHAF O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 40424830 FYAUIGWQHNRICF-UHFFFAOYSA-N 400.438 3.837 0 1 HHAF CC[C@@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1cc(OC)c(OC)c(OC)c1 82144200 PDTMXFOGJWZBKJ-CYBMUJFWSA-N 414.506 3.520 0 1 HHAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cccnc4F)c3CCN12 149051080 STQRBUUKFGQBAK-UHFFFAOYSA-N 413.456 3.648 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(N4CCCC4)c31)[C@H]1CC[C@@H](C2)N1 96175335 OFSIIVMOOSZYDQ-OXJNMPFZSA-N 421.566 3.961 0 1 HHAF CC(=O)C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@@H](C=C=CBr)O[C@H]21 145384295 RCEIRMABDXAXPX-ZBXVSLQOSA-N 404.098 3.828 0 1 HHAF O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 261113487 IJDYEKNALMKYHL-QGGXVJLZSA-N 400.429 3.549 0 1 HHAF O=c1c2cc(OCCCN3CCc4ccccc4C3)ccc2nc2n1CCCCC2 299827163 GIAHRJPZCNIJBQ-UHFFFAOYSA-N 403.526 3.950 0 1 HHAF CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S/C=C\C(=O)O)n2C)ccn1 299856812 CEUMJZPOGFBDDM-NTMALXAHSA-N 412.446 3.937 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594111 LBJDDPZXVDGTOM-VRQVCZHKSA-N 423.465 3.835 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1)c1ccc(F)cc1 587171495 QMYAIRBGMOYYNT-UHFFFAOYSA-N 403.826 3.565 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(Br)c2[nH]1 587201863 CLILAZQRZRIXSV-AWEZNQCLSA-N 418.247 3.768 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)NCc1ccco1 587864852 RGCOCDNDWFEBHU-UHFFFAOYSA-N 407.348 3.517 0 1 HHAF CC(=O)Nc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614337 SBKYTODHORLEQO-HRAATJIYSA-N 410.451 3.993 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587798124 XMIPUAMQGFCFKB-WYRIXSBYSA-N 408.267 3.984 0 1 HHAF Oc1ncc([C@@H]2CCC[C@@]3(C2)c2cccc(F)c2CCN3[C@@H]2CCSC2)c(O)n1 962711818 PYKNFKPJZZGEAN-DOQJBMMISA-N 415.534 3.944 0 1 HHAF CCOC(=O)COc1cc([C@H]2NCCc3c(OC)ccc(Cl)c32)ccc1OC 963260586 YUGFVXLAINSSGE-OAQYLSRUSA-N 405.878 3.534 0 1 HHAF CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@@H]1NCCc2c(C(=O)O)cccc21 963120408 HNXDOZPPDTTXRK-JXFKEZNVSA-N 418.534 3.529 0 1 HHAF COc1ccc2c(c1OC)[C@@](C)(CCc1ccc(OCC(=O)O)cc1)N(C)[C@H](C)C2 962636193 YNSRHJVBTFGOAN-VOIUYBSRSA-N 413.514 3.892 0 1 HHAF O=C(c1cc2n(n1)CCN(Cc1cccc(-c3ccccc3)c1)C2=O)N1CCCCC1 1772628775 RXYIDVSJTCSDTK-UHFFFAOYSA-N 414.509 3.832 0 1 HHAF CCCCCc1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 169322226 DLDWUZPKAAMVLI-HXUWFJFHSA-N 419.481 3.564 0 1 HHAF CS(=O)(=O)N1CC[C@@H]1c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 205302872 BYVGXWXQSUMVRV-GOSISDBHSA-N 404.875 3.893 0 1 HHAF COc1ccccc1OCCNC[C@@H](CO)OC(c1ccccc1)c1ccccc1 1857541534 VBVAHKVUCCAHNR-QFIPXVFZSA-N 407.510 3.831 0 1 HHAF C[C@@H]1C[C@@H](C)CN(C(=O)c2nsc3cc(N=c4[nH][nH]c5cccnc45)ccc23)C1 1857616069 ODXBCOYBIAXPCV-CHWSQXEVSA-N 406.515 3.851 0 1 HHAF CCN(CC)CCCOc1ccc(Nc2nccc(N3CCSCC3)n2)cc1 1857617114 DGVKDYVFXSZWBM-UHFFFAOYSA-N 401.580 3.884 0 1 HHAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1C 776420 WYPHFSYCVXZADD-GOSISDBHSA-N 410.470 3.738 0 1 HHAF Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1CNC[C@@H]1CCCO1 4992334 FOFDCQHEZOTDFJ-TYPHKJRUSA-N 400.906 3.580 0 1 HHAF CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCN 13587111 OZVULFLAPUPPFK-QFIPXVFZSA-N 419.610 3.805 0 1 HHAF in-vitro COc1cccc2c1[C@@H]1CCN(CCCN3C(=O)CC4(CCCC4)CC3=O)C[C@H]1C2 13733322 MHYIRHUYYCXFSJ-WOJBJXKFSA-N 410.558 3.756 0 1 HHAF COc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1S(C)(=O)=O 27109514 LEIQBWIDGKMKHU-UHFFFAOYSA-N 414.508 3.774 0 1 HHAF COc1cc([C@H](OP(=O)(OC)OC)P(=O)(OC)OC)cc(OC)c1OC 29222601 JIPPGBCMSBEADE-CQSZACIVSA-N 414.284 3.614 0 1 HHAF CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C 40632492 YNMRJIMLEOQFSB-LEAZDLGRSA-N 402.487 3.711 0 1 HHAF Cc1cc(COc2ccc([C@H]3C[C@@]4(C[C@@H]4C(=O)O)C(=O)N3)cc2)c2ccccc2n1 40891546 UULCKRRPZZHFCH-ZILOHOTNSA-N 402.450 3.774 0 1 HHAF CCCCN(Cc1ccccc1F)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40918306 XCOSWCPDHDLFHW-JOCHJYFZSA-N 418.463 3.886 0 1 HHAF N=C1ON=C(N)[C@H]1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 45245253 KMUPFVBEIFIZQB-GOEBONIOSA-N 404.253 3.961 0 1 HHAF COc1ccc(C(=N)NC(C)C)cc1-c1cn(-c2ccc(C(=N)NC(C)C)cc2)nn1 45285955 HFBHBBOCWKSOGR-UHFFFAOYSA-N 419.533 3.590 0 1 HHAF O=C1N(Cc2cc3ccccc3s2)C[C@H]2CN(Cc3cccc4c3OCO4)CCN12 45302441 XLKMIJTUEUSWDW-GOSISDBHSA-N 421.522 3.752 0 1 HHAF N=C(N)n1c(=N)ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21 100627931 KWISMKBCBPNONA-UHFFFAOYSA-N 408.509 3.929 0 1 HHAF CCOc1ccc2nc(-n3c(=O)c4cccnc4n(-c4ccccc4)c3=O)sc2c1 103238107 RDGQXGJSGJFAIS-UHFFFAOYSA-N 416.462 3.545 0 1 HHAF CC(=O)N(C)C1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1 116232063 NHXLUQIXGAZLHB-UHFFFAOYSA-N 422.460 3.581 0 1 HHAF O=C(Nc1cnccn1)Nc1cccc2c1[C@H]1CC3(CCN1C2=O)SCCS3 118084474 AKKQLMPWVUMKJQ-CQSZACIVSA-N 413.528 3.588 0 1 HHAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]2)cc1 146898547 FJRXXVDUROENKW-UHFFFAOYSA-N 414.487 3.618 0 1 HHAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(F)cc4-c4ccccn4)C[C@H]3C2)n1 167089977 UOVVTUIUPUBXQO-HDICACEKSA-N 417.488 3.503 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1 169709823 SDGGQIBBZZUMLN-SUMWQHHRSA-N 423.435 3.719 0 1 HHAF CC(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)n[nH]1 201332772 AMLGSOPRYBWTJD-UHFFFAOYSA-N 417.473 3.796 0 1 HHAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc(Cl)c3[nH]2)CC1 586953301 RUDXHDTXIDAHKG-UHFFFAOYSA-N 420.760 3.977 0 1 HHAF O=C(O)CCN(CCc1nc2cc(Br)c(F)cc2[nH]1)Cc1ccccc1 587193573 MKJGRBVUHAKGNM-UHFFFAOYSA-N 420.282 3.984 0 1 HHAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 587329595 CYZWUQNUXTWKRE-NZQKXSOJSA-N 407.372 3.901 0 1 HHAF O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 587378463 VHAOXNSUTQBUSA-JTHBVZDNSA-N 424.449 3.963 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c(F)cccc1F)CC2=O 587466353 NHKIDPHSACUFHJ-JOCHJYFZSA-N 418.392 3.616 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)NCC1CC1)CC2=O 587469054 HELHWOWCGLAOSY-JOCHJYFZSA-N 409.482 3.956 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C 587476548 PWUHAQHFALWJEG-DMZKTXOQSA-N 403.475 3.852 0 1 HHAF CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)ccc21 587595093 OPPLXXYBKGCCTI-YKSBVNFPSA-N 401.418 3.924 0 1 HHAF O=CNc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(=O)O 587622359 ADHGVFXERWPZIQ-UHFFFAOYSA-N 413.231 3.669 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587734852 RWSJEGAVIUEFAO-ZRNGKTOUSA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3Cc4ccccc4N[C@H]32)N1 587793015 PZYRDZWPXIHQST-BYYRLHKVSA-N 402.311 3.975 0 1 HHAF CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834503 LAPIYHNYCWMAHS-CWTRNNRKSA-N 414.315 3.698 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1C[C@@H](C)O[C@H](C)C1 587863097 CMFVOSJPNUGFDM-ZIAGYGMSSA-N 411.424 3.717 0 1 HHAF O=C(C[C@]1(c2ccccc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12)C1CC1 962662569 IJACLRCMSDYLLO-UIOOFZCWSA-N 414.505 3.946 0 1 HHAF CCNC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCc1ccccc1OC 1857541200 BSEYETIDVDAGIM-ZHACJKMWSA-N 411.889 3.909 0 1 HHAF C[C@@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 61904534 OIPGJFUDTMWDRC-QFIPXVFZSA-N 416.518 3.889 0 3 HHAF COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@H]1c1cccs1 6783205 VVLGBOUDDHICNC-VQTJNVASSA-N 407.495 3.709 0 1 HHAF Cc1nc(C(=O)N[C@H](C)C(=O)NCCCc2ccccc2)cc2c1[nH]c1ccccc12 15968457 CLHMXHAUFFPFPS-QGZVFWFLSA-N 414.509 3.892 0 1 HHAF biogenic CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@]12C 26383251 ZMAIFLOHRXCDQS-SIBAVGMRSA-N 418.622 3.959 0 1 HHAF C[C@@](CC(=O)O)(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 28570594 FFRGJAHDODNWQF-DEOSSOPVSA-N 420.513 3.973 0 1 HHAF CC(C)C[C@H](NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C)C(=O)O 28769288 BBCYFIOJHQSCHP-IBGZPJMESA-N 420.550 3.962 0 1 HHAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccc(OC)c(OC)c1)CCC3 28968707 WYEHYESVLJWQPZ-LJQANCHMSA-N 410.470 3.531 0 1 HHAF O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Oc2ccc(F)cc2)nc1 49110793 KUANGLIYWBBCGA-UHFFFAOYSA-N 412.486 3.675 0 1 HHAF COC(=O)c1ccc(-c2nc3c(NCC(C)C)ncnc3n2C[C@H]2CCCO2)cc1 82177893 MGJCJCWNDCSKFZ-QGZVFWFLSA-N 409.490 3.527 0 1 HHAF CC[C@@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1)c1ccccc1 82196196 DMJCUGIYNXLTPN-MRXNPFEDSA-N 416.481 3.600 0 1 HHAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 82209444 RDVRIVWNYFBIEO-IBGZPJMESA-N 424.570 3.983 0 1 HHAF Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(F)cc(F)c2n1CC(=O)O 95563464 GMJSJZURLGVPNN-UHFFFAOYSA-N 409.392 3.585 0 1 HHAF CC(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2 95571641 JWSHQJYDXNPIKG-QHCPKHFHSA-N 402.454 3.873 0 1 HHAF in-vitro COc1ccc2oc(=O)cc(Cn3c4ccccc4n4c(=O)cc(C(C)C)nc34)c2c1 96934503 HWHWTYFXABHJJK-UHFFFAOYSA-N 415.449 3.936 0 1 HHAF CC(C)N1CCn2c(nc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1 142044535 VNNPCLNJSAHFMW-UHFFFAOYSA-N 414.509 3.990 0 1 HHAF N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1 142222659 KUAWAPSIDJAYOE-RPWUZVMVSA-N 412.599 3.548 0 1 HHAF Cc1ccccc1-c1nc(C)n2ncnc(N3CCc4c(c(C(C)C)nn4C)C3)c12 169711812 LPUBNFYIIAEFLB-UHFFFAOYSA-N 401.518 3.828 0 1 HHAF CCC(CC)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 223391057 XRWLGQIFZYBNFU-UHFFFAOYSA-N 402.926 3.869 0 1 HHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 586937697 MOGYZPSPIFVFJN-MRXNPFEDSA-N 407.879 3.590 0 1 HHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 586939219 ZGHYRTZESFEJNI-JTQLQIEISA-N 424.320 3.775 0 1 HHAF COc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1OC 587020152 YYYPGMHTXWUIQE-UHFFFAOYSA-N 400.485 3.941 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc12 587036885 BDLYZHXNXSLNNJ-LURJTMIESA-N 411.384 3.867 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OCCN)cc1)[C@@H](C2)C3=O 587433795 WPQPDQNXZGTRRT-SQJMNOBHSA-N 401.462 3.724 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587584166 WZHGDWPYSWEQDR-FIKMYACPSA-N 411.454 3.979 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 587598454 XTQYSCRIJNEBIR-REWPJTCUSA-N 422.389 3.567 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cccc2c31 587794061 SOOLGAZBVLSDLH-GIPWTMENSA-N 401.279 3.659 0 1 HHAF COC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587797629 WLFIJDMFQHYDPH-MPBGBICISA-N 422.294 3.938 0 1 HHAF COc1cccc(OC)c1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867646 LYRAHTUAZZHFKQ-UHFFFAOYSA-N 407.348 3.678 0 1 HHAF O=C(O)CCNc1nc(-c2nccs2)cc(N2CCC(c3ccccc3)CC2)n1 653702443 RDYSIDMMANLOPA-UHFFFAOYSA-N 409.515 3.871 0 1 HHAF COc1ccc(NCN2C(=O)c3cccc(NC(=O)c4ccccc4)c3C2=O)cc1 653745666 BKRWSEAAVXWARD-UHFFFAOYSA-N 401.422 3.613 0 1 HHAF CCSc1ccc2c(c1)NC(=O)[C@@]21c2cc(OC)ccc2CCN1CCCOC 961329134 XNLNJLMUAWOQKN-QHCPKHFHSA-N 412.555 3.898 0 1 HHAF COc1ccc([C@]2(C[C@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962625530 FFIWNGCWXUWLSF-CCHLGUQTSA-N 413.514 3.943 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3ccccc3)c(OCc3cccnc3)ccc12 1772632745 GBTAWWLSZOOHAG-UHFFFAOYSA-N 415.449 3.666 0 1 HHAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356512462 ULPAZQCNVCNESL-RCCFBDPRSA-N 404.518 3.575 0 1 HHAF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@H](Cc2ccccc2C(=O)O)CC=CC=C[C@@H]1O 2356821225 FYGPMYBAWHEWAO-HTZUNMPGSA-N 423.465 3.574 0 1 HHAF COc1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCc3ccccc32)cc1 2356828389 IGGNDEPGIIJOGR-RZUBCFFCSA-N 420.557 3.590 0 1 HHAF CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466676 YARCPSFQASPPDP-ZEQRLZLVSA-N 419.569 3.762 0 3 HHAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1OC(F)F 61926023 PWARNIWZWFAIJT-OAQYLSRUSA-N 404.413 3.662 0 3 HHAF C[C@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61930382 MIUWULAZCXYTJW-JOCHJYFZSA-N 407.857 3.833 0 3 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(Br)c2)cc1)C(=O)O 578600 NEOOWKPSCAQYPI-INIZCTEOSA-N 412.305 3.504 0 1 HHAF CCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)c(OC)c3)N2C1=O 2099909 SEJAVZDVCDAINV-GCJKJVERSA-N 419.481 3.873 0 1 HHAF biogenic CN1C(=O)[C@@H](OC[C@H]2COC(C)(C)O2)N=C(c2ccccc2)c2cc(Cl)ccc21 3599132 JUMFEAXDHKDELJ-OXJNMPFZSA-N 414.889 3.648 0 1 HHAF CCCn1c(=O)c2[nH]c(C3c4ccccc4-c4ccccc43)nc2n(CCC)c1=O 12405319 CUVZVYMRAXTVSQ-UHFFFAOYSA-N 400.482 3.867 0 1 HHAF COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1 13587605 JRTFNBZVKJXAET-UHFFFAOYSA-N 408.366 3.531 0 1 HHAF COc1ccc(C(=O)NCCN2CCN([C@H]3CCCCc4ccccc43)CC2)cc1 28014648 XXSIEEXPXQVBEJ-DEOSSOPVSA-N 407.558 3.510 0 1 HHAF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 28890177 NMRXLBVWNBWRLE-MRXNPFEDSA-N 403.262 3.690 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@]1(O)c1ccc(F)cc1)CC2 34402030 BRKOVFUTTJGJEO-FXSPECFOSA-N 422.544 3.952 0 1 HHAF O=C(Nc1ccc(Br)cc1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49032871 MKSFUXOJCOJNHT-UHFFFAOYSA-N 406.119 3.928 0 1 HHAF O=C(NC[C@@]1(O)CCCC(F)(F)CC1)c1cc(-c2ncc(F)cn2)ccc1Cl 49784304 ZOQUSKSMFRGDQE-GOSISDBHSA-N 413.827 3.996 0 1 HHAF CC(C)C[C@H](CO)Nc1nc(SCCc2ccccc2)nc2nc(N)sc12 95605513 BKQNUKCQBYWSPK-CQSZACIVSA-N 403.577 3.822 0 1 HHAF CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@H]1CO 95877969 PSHIFIWLVUIOGD-GLYQVZKVSA-N 417.484 3.902 0 1 HHAF C[C@@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(N)=O 101507838 ILYAOAUUXVJZJV-GBJTYRQASA-N 404.511 3.571 0 1 HHAF CO[C@H]1CC[C@@H](C)/C=C\CC/C(C)=C\C(=O)O[C@H](CC(=O)[C@H]2CSC(=O)N2)C1 238749645 SMSHEBYPBWDJEV-DYXVJFNWSA-N 409.548 3.800 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 587234996 BTZZZLLCHOGZBB-UHFFFAOYSA-N 421.881 3.866 0 1 HHAF O=C(/C=C\c1nc2c(I)cnc(Cl)c2[nH]1)Nc1ccccc1 587243825 JCZPOABRUQDXCJ-SREVYHEPSA-N 424.629 3.868 0 1 HHAF CCn1cc(Cl)c([C@@]2(CC(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587502144 TZQPAMIZDUAFAR-NRFANRHFSA-N 402.878 3.859 0 1 HHAF O=C1C[C@H](c2ccc(OCCN3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587518307 FGZGBQZVCIFBJD-XMMPIXPASA-N 407.510 3.983 0 1 HHAF Cc1ccnc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576660 HOYXGXRBXLYPAK-OFNKIYASSA-N 404.422 3.845 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(OC)n1 587587191 LQCPHZNLOUAWEH-PXNSSMCTSA-N 409.394 3.516 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587598180 WZHGDWPYSWEQDR-IBZMOEQTSA-N 411.454 3.979 0 1 HHAF CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cccc(F)c12 587636888 OCXKIUDFFCBZEM-UHFFFAOYSA-N 400.406 3.841 0 1 HHAF CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cc(F)ccc23)c1C 587636910 PFVVWWYOPGTFPL-UHFFFAOYSA-N 400.406 3.836 0 1 HHAF C[C@H](O)CNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O 653692167 YUKGUUJEGDEJMF-LBPRGKRZSA-N 409.463 3.569 0 1 HHAF C=CN1CC[C@@H]([C@@]2(c3ccncc3)NC3(CC3)Cc3ccc(Br)cc32)C1=O 961614377 KXURXRZHTALFIU-XMSQKQJNSA-N 424.342 3.758 0 1 HHAF Nc1ccccc1-c1nc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)co1 962625208 BVTGWUNPEYFFBT-CXAGYDPISA-N 419.359 3.511 0 1 HHAF COC(=O)[C@@H]1CC(=O)C[C@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832143 LURDTEVQDBTCMJ-NSYGIPOTSA-N 418.493 3.630 0 1 HHAF COc1cc(/C=C/C(=O)O[C@@H]2Cc3c(ccc4ccc(=O)oc34)OC2(C)C)ccc1O 1857752515 SYNXIZIUKILZJY-URZUPRTMSA-N 422.433 3.846 0 1 HHAF O=C1[C@@H]2CCC[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 1857771111 ZSDLULFCEDZUGK-QZTJIDSGSA-N 411.571 3.589 0 1 HHAF CC[C@H](O)[C@@H]1[C@@H]2CC[C@H]3[C@@H]4C(=CC[C@@H](CC2)N13)OC(=C1OC(=O)C(C)=C1OC)[C@@H]4C 2356503947 ZOUDZLSCIFATNZ-OAABDPJLSA-N 415.530 3.628 0 1 HHAF COC(=O)[C@@H]1CCC2=C(CC[C@H](C)[C@]23C[C@@H](c2ccoc2)OC3=O)[C@@]1(C)C(=O)OC 2356741791 RFJWUDNEMAPOJK-XQIDVNMJSA-N 416.470 3.743 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 95569319 HYOMYOKEHVTOLA-IBGZPJMESA-N 405.903 3.884 0 3 HHAF CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccc(OC)cc3)c2n1 4238284 NWGLIZMLNUQTOP-UHFFFAOYSA-N 409.396 3.561 0 1 HHAF CC1(C)C[C@@]2(CC(C)(C)c3ccc(O)c(NC(N)=O)c32)c2cc(O)c(NC(N)=O)cc21 5963706 NBQYMXISJVPDAX-QHCPKHFHSA-N 424.501 3.728 0 1 HHAF OC1CCC(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)CC1 13589664 DUVKGGZPLJWNEW-UHFFFAOYSA-N 400.486 3.652 0 1 HHAF COc1cccc(CNc2nc(I)nc3c2ncn3C(C)C)c1 13834618 KJHMNHJQLCIIIG-UHFFFAOYSA-N 423.258 3.633 0 1 HHAF COCCN(C)CCCn1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1=O 14944996 SRABJUKJOIVQMS-UHFFFAOYSA-N 416.525 3.798 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]21C 26383247 ZMAIFLOHRXCDQS-XIZGEIEYSA-N 418.622 3.959 0 1 HHAF COC(=O)c1cc2c(c(C)c1C(=O)OC)C=C[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 27525265 TWGXBZVCOOQQPA-IMRHEYAYSA-N 400.471 3.832 0 1 HHAF COc1cccc(-c2cn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c23)c1 27985503 MVJIDURGJSOZKO-OAHLLOKOSA-N 409.490 3.871 0 1 HHAF O=C(CCCN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cc1 28646978 WNJGHJSSWCJMGF-UHFFFAOYSA-N 415.921 3.605 0 1 HHAF COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)[C@@]3(C)I)ccc1O 29051691 KMCWFSRJAGUCQK-WQFMGJDKSA-N 416.255 3.940 0 1 HHAF COc1cc(Nc2ncc3ccn(-c4ccccc4CO)c3n2)cc(OC)c1OC 36348821 AERDKMXMONKWTK-UHFFFAOYSA-N 406.442 3.682 0 1 HHAF CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2F)CC1 49054515 WQSHNCRTGRDIHQ-UHFFFAOYSA-N 424.398 3.876 0 1 HHAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)C1 82139774 FAKGXWKYRWBNPY-SJORKVTESA-N 412.509 3.770 0 1 HHAF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 169709711 FXFMMZOPLKUNEJ-KSSFIOAISA-N 421.444 3.800 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(Br)c(Br)c2)C[C@H]2CC[C@H]1N2C 253740340 UWYWQPVLTBLACL-FKGLVLAHSA-N 417.141 3.951 0 1 HHAF COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(F)cc3)nn2)CC1 299828060 GTEVNWICMPGDLY-UHFFFAOYSA-N 423.536 3.950 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nc(C)cc2[nH]1 586935048 GBKOZPAFVQMNET-INIZCTEOSA-N 418.588 3.964 0 1 HHAF CC[C@H](c1nc2cc(Cl)cnc2[nH]1)n1cc(I)c(C)n1 587186442 WQKFGBJGFFXGFD-LLVKDONJSA-N 401.639 3.720 0 1 HHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587226290 YECPXLYCXNITSB-JTQLQIEISA-N 414.334 3.696 0 1 HHAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(CCO)cc3[nH]2)c(O)c1 587241148 VMTFSZPIKBJRGF-UHFFFAOYSA-N 401.466 3.960 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3c(C(=O)O)noc3C)cc1)O2 587394370 FSXMLGITEFUCRN-IBGZPJMESA-N 408.410 3.857 0 1 HHAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCCCC1 587443927 MWKUABIAJOMIGG-WZONZLPQSA-N 407.466 3.961 0 1 HHAF COc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587540829 BXWYNXXLMQIPFN-SIKLNZKXSA-N 412.825 3.904 0 1 HHAF Cn1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587578602 ATUPSCBOCLCXNL-XUZZJYLKSA-N 414.417 3.737 0 1 HHAF CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587468 NXVTTWFKQAIXDT-MBSDFSHPSA-N 421.405 3.824 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C=O 587591083 FRMTXJNKEZWPLV-OFNKIYASSA-N 406.390 3.925 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793807 LEZWGKFTVZRVGS-OVWNDWIMSA-N 423.282 3.941 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800828 ZSTPXYXIBKRGSN-WLRWDXFRSA-N 414.315 3.886 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)cn1 587866588 GVBWRXYOYHGQDU-UHFFFAOYSA-N 400.158 3.514 0 1 HHAF COc1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1OC 587868331 ZJQBMJCNWDQZQG-UHFFFAOYSA-N 407.348 3.678 0 1 HHAF CN(CCCCNC(=O)c1cc2ccccc2o1)[C@@H]1Cc2cccc3nc(O)n(c23)C1 653850799 FGHOMVBEDZJTLR-GOSISDBHSA-N 418.497 3.555 0 1 HHAF CN(C)CCCOc1ccccc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962768333 REBDLFKCGXVRTB-ICSRJNTNSA-N 406.448 3.752 0 1 HHAF CCn1cc([C@]2(C(F)F)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963184760 UAGJAONVPYSYSK-CJNGLKHVSA-N 423.769 3.683 0 1 HHAF COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccccc3)n2)cc1OC 1772580057 NUGUZUSIZDGDIO-UHFFFAOYSA-N 401.426 3.599 0 1 HHAF Cc1ccc(-c2noc([C@H]3C[C@@](C)(O)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12 1772622959 HGFPSCQSKGUSQU-XLOAEROZSA-N 421.432 3.713 0 1 HHAF C[C@@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43CCN)OCCO5)[C@@H]1CCC21OCCO1 2356388500 HWXXPLRSBHPGSF-RTOMLYRKSA-N 403.563 3.764 0 1 HHAF COC(=O)/C=C/c1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccco1 13830037 FKLWSMLYPGANJI-BUHFOSPRSA-N 411.479 3.857 0 3 HHAF C1=c2ccccc2=N/C1=C1\NN=C(CN(Cc2ccccc2)Cc2ccccc2)S1 36379031 MEJGPXIKYSELSY-WJTDDFOZSA-N 410.546 3.622 0 3 HHAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 767468 CXKICOFMHQAMQI-MJGOQNOKSA-N 404.869 3.706 0 1 HHAF CN1[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H]1CN(Cc1ccccc1)C2 26393107 MVTUOZHQDKFGRL-FRIKZZABSA-N 418.585 3.841 0 1 HHAF Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1 72179955 YYXOBLRWMXSFRI-UHFFFAOYSA-N 410.521 3.970 0 1 HHAF CC[C@H]1CCCCN1c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 82066847 RMEAOJDNDWPDER-INIZCTEOSA-N 415.538 3.872 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cccnc2)C1 95565206 ILHGMMHXYVCLEG-UHFFFAOYSA-N 407.783 3.668 0 1 HHAF CC(C)NC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@@H]1C2c1ccc(Br)cc1 100087609 ORIAPRUJFKWFRS-ZIAGYGMSSA-N 420.273 3.581 0 1 HHAF CN(C)c1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1 101694802 HWJWBSGRNVUMME-UHFFFAOYSA-N 415.461 3.908 0 1 HHAF COc1ccc2oc(=O)cc(COc3cccc(I)c3)c2c1 103264200 QVPSWWQHVHKBHG-UHFFFAOYSA-N 408.191 3.985 0 1 HHAF COC(=O)c1coc(-c2coc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n2)n1 169326218 QUAROCADYOCVPS-RISCZKNCSA-N 423.466 3.886 0 1 HHAF Cc1ccn2nc([C@H](C)Nc3ncnc4sccc34)n(-c3ccccc3)c(=O)c12 208966278 JAKMVERZBGYIIS-AWEZNQCLSA-N 402.483 3.971 0 1 HHAF COc1cc(/C=C/CO)ccc1O[C@H](C)[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 238779189 YKCQRENZSQIALG-FFDAFMBLSA-N 400.427 3.501 0 1 HHAF COC(=O)[C@H]1[C@H](c2ccc(/C=C\I)cc2)C[C@H]2CC[C@H]1N2C 253681866 ABXUYGWOEIXKBD-PIMSBRCLSA-N 411.283 3.832 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(N4CCC(C)(C)C4)n3)C2)cc1 261136639 MEFPJFIIEHVEKU-LAUBAEHRSA-N 423.561 3.568 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnc3ccccc3c2[nH]1 586964980 HDTPBWRPFUFZCA-UHFFFAOYSA-N 404.503 3.568 0 1 HHAF COC(=O)c1cccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 586984363 FOEDLOKBFDXHMS-MRXNPFEDSA-N 416.275 3.532 0 1 HHAF N[C@H](N=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018514 FOZITFLXRLWBLW-LJQANCHMSA-N 407.455 3.772 0 1 HHAF Fc1cc(-c2nc3ccc(I)cc3[nH]2)cc(N2CCCC2)n1 587177644 RPHJAEHIWGWXMM-UHFFFAOYSA-N 408.218 3.969 0 1 HHAF COc1cc2c3c(c1)OC1(C[C@@H]4CN(C(=O)OCc5ccccc5)C[C@H]4C1)[C@@H](C2)C3=O 587440749 BRWWTLZFLGFBPP-GGPKGHCWSA-N 419.477 3.860 0 1 HHAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCc1ccccc1 587569688 GYDIHEFMSVHCSS-UXHICEINSA-N 405.406 3.649 0 1 HHAF C/C(=C\[C@@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587738777 CTJJYDUPNRCVKX-GLEYLAJFSA-N 405.315 3.621 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3c(O)nc4cccc2c43)N1 587778642 NUMXOJDSPPMGOZ-DGIBIBHMSA-N 402.267 3.825 0 1 HHAF COC(=O)c1cc(Br)c2nc(C(=O)Cc3ccccc3OC)[nH]c2c1 587930796 PRWPHHLDSNYNBR-UHFFFAOYSA-N 403.232 3.546 0 1 HHAF CCOC(=O)CC[C@@]1(c2cc(C)cc(C)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030565 NXJOYZOYGVNVMN-CJAUYULYSA-N 406.526 3.944 0 1 HHAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC(F)CC2)cn1 1772573112 IXVNCKSUHHDFEP-KRWDZBQOSA-N 411.308 3.997 0 1 HHAF C[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CCN1 1772580759 BMQCLTSPZXCHIP-ZDUSSCGKSA-N 416.403 3.875 0 1 HHAF Cc1c(CC2CCCCC2)n(COCc2cccc(Cl)c2F)c(=O)n(O)c1=O 1772631909 IKOSQCGYSUKPRB-UHFFFAOYSA-N 410.873 3.645 0 1 HHAF COC(=O)C=C(CC[C@@H]1[C@H](OC=O)C=C[C@H]2C(C)(C)CCC[C@]12C)COC(C)=O 2356644519 JQUOFEBUGGKARK-ISHFTEKXSA-N 406.519 3.989 0 1 HHAF CC[C@H](Oc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)NCCN1CCCCCC1 2923912 XYIILRSSNMNJRN-FQEVSTJZSA-N 402.535 3.580 0 3 HHAF Cc1cccc2c(CN(C)C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)c(C)n(C)c12 596506 RBOIMOUDCYEGGN-DHZHZOJOSA-N 402.498 3.747 0 1 HHAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 2487545 UFCNURZZUWURJU-HXUWFJFHSA-N 400.494 3.984 0 1 HHAF COc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1 13492659 AUKXTTDRFKLJIH-UHFFFAOYSA-N 401.938 3.681 0 1 HHAF Cc1cccc(C(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1N 13747166 AHMRCTCXIVVGBJ-UHFFFAOYSA-N 423.586 3.519 0 1 HHAF O=C1C[C@H](c2ccccc2)NCCCN(C(=O)/C=C/c2ccccc2)CC/C=C/N1 14649846 AORCSZCLPCSPAQ-PXMMKJTQSA-N 403.526 3.673 0 1 HHAF C[C@@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559619 NUSBNPJDZNYDIC-BHIYHBOVSA-N 417.571 3.760 0 1 HHAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC(F)(F)F 27875865 VDHOZANNISXJQN-UHFFFAOYSA-N 402.355 3.763 0 1 HHAF Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1cccc(C#N)c1 35415788 PRMLUBMXQCQUAV-HBMCJLEFSA-N 401.514 3.519 0 1 HHAF biogenic Cc1nc(-c2ccc(F)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccccn2)n1 39960753 OOQLWENXEADAET-PMOQBDJRSA-N 417.532 3.954 0 1 HHAF biogenic Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3C)cc2)no1 40949491 GXZWQEFIAGYAPU-UHFFFAOYSA-N 402.501 3.901 0 1 HHAF COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cc(C)[nH]c4c32)cc(OC)c1OC 71317676 WMGDYNFUCVBZQP-SFHVURJKSA-N 406.438 3.870 0 1 HHAF COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc(OC)c1OC 73161052 JCRFQEZSCGYUNF-KRWDZBQOSA-N 424.478 3.999 0 1 HHAF COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccnc3)cc2)c1 100113881 NTNYSAVQTKFKNM-JKHIJQBDSA-N 400.482 3.729 0 1 HHAF N[C@H]1CC[C@H](NCc2ccc(O)c(C(=O)NCc3ccc(Cl)c(Cl)c3)c2)CC1 102999643 TWWXTCIIDGMACU-IYBDPMFKSA-N 422.356 3.989 0 1 HHAF COc1cc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1C 167532300 PLVPTWIALKBMSG-UHFFFAOYSA-N 403.482 3.809 0 1 HHAF CC(=O)[C@@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(Br)cc1 169693989 UHNBEZJCHGCWAS-JKSUJKDBSA-N 419.275 3.597 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713497 ZMAIFLOHRXCDQS-VITIKHFTSA-N 418.622 3.959 0 1 HHAF Cc1cc2nc([C@H](C)CNC(=O)c3ccc(-n4cnnc4)cc3Cl)[nH]c2cc1C 299856644 CZVRMHBIRRAKPP-CQSZACIVSA-N 408.893 3.947 0 1 HHAF Oc1cc(O)nc(SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1 586966274 DGAMHYBLWWBTPC-UHFFFAOYSA-N 421.198 3.838 0 1 HHAF COc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Cl 587112101 IGNJCFVMSUEZPG-UHFFFAOYSA-N 408.771 3.946 0 1 HHAF Cn1nc(C(=O)O)c(I)c1-c1nc2cc(C(C)(C)C)ccc2[nH]1 587180699 JWOYLVKHHODUHV-UHFFFAOYSA-N 424.242 3.564 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587195516 LDSQTWWACHSTQU-HNNXBMFYSA-N 400.548 3.811 0 1 HHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587240671 HLSQOPDAONRVOI-UHFFFAOYSA-N 407.499 3.820 0 1 HHAF CC(C)(C)[C@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361589 WLPXTJJRIHHSMG-WIYYLYMNSA-N 406.475 3.720 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Cl)c(Br)cc21 587371319 KHUJIECAEPKVFF-KRWDZBQOSA-N 407.651 3.806 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O 587418568 AAKIXKAKUHBQQU-MGPUTAFESA-N 415.371 3.843 0 1 HHAF COc1cc2c3c(c1)O[C@@H](C1CCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587440347 YQKQZBJXQMWPPJ-CVDCTZTESA-N 407.466 3.860 0 1 HHAF O=C(O)c1ccc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659898 IXCHCRJXASCQIR-UHFFFAOYSA-N 403.369 3.981 0 1 HHAF COC(=O)c1cc([C@@]2(c3ccccc3)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c[nH]1 962618758 DQAARKKLBNGNCJ-LMKMVOKYSA-N 420.509 3.987 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(c2ccccn2)c2c(F)cccc2C[C@H]2CCCN21 963098013 OXUPIFKVQNEKPL-WAIKUNEKSA-N 407.445 3.698 0 1 HHAF CN1Cc2c(C3=CC[C@H](NCC(=O)O)CC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772626495 KAOLCTKNLQDAOO-HNNXBMFYSA-N 406.461 3.929 0 1 HHAF COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc(Cl)cn4)CO3)c2c1 1857653359 PASQEEPQQKAMPY-LBZQVFOQSA-N 413.905 3.756 0 1 HHAF COC(=O)[C@]1(C)C2=C(CC[C@@H]1OC(C)=O)[C@]1(C[C@@H](c3ccoc3)OC1=O)[C@@H](C)CC2 2356421803 UXGNFHQNRCSBPH-SPPNZGDWSA-N 416.470 3.885 0 1 HHAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1[C@H]1[C@H](OC(C)=O)C(C)(C)O[C@H]1O 2356666398 LQFYRSWYFPDEHM-ACIOBRDBSA-N 424.449 3.611 0 1 HHAF Cn1cc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c2ccccc21 11873594 YCDIISYAWHWDIE-QGZVFWFLSA-N 405.498 3.549 0 3 HHAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 61906210 NBHAUQWWONBQMH-NRFANRHFSA-N 408.404 3.849 0 3 HHAF CN(C)C(=O)OC1=CCCN(C)[C@@H]1COC(=O)C(C)(c1ccccc1)c1ccccc1 13472430 VIDNTYNTQCPFGA-OAQYLSRUSA-N 422.525 3.822 0 1 HHAF COC[C@@H]1[C@H](COC)Cc2cc(OC)c(OC)cc2[C@H]1c1ccc2c(c1)OCO2 14435176 WBJMMHMEDGPCCD-PRCFCKQXSA-N 400.471 3.646 0 1 HHAF biogenic C[C@H](c1ccon1)N(C)C(=O)c1ccc(-n2cc(NC(=O)c3ccoc3)cn2)cc1 14992845 OJESAWBTFJSCEF-CQSZACIVSA-N 405.414 3.539 0 1 HHAF Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CCC1)CC2 38497966 UYTVKTSFGWUDJS-UHFFFAOYSA-N 407.580 3.822 0 1 HHAF COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23Cc2ccccc2C3=O)cc1 40393082 NPEWWSAXRPWYIV-ZDJNHPEVSA-N 424.500 3.997 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@@H]1COC(=O)Cc3ccc(cc3)CC(=O)Nc3ccc(cc3)[C@@H]1C2 40566905 MTTQVAJJGOFFBH-MYDTUXCISA-N 404.510 3.533 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(OC[C@H]3Cc4ccccc4[C@H]3C=C2C)c2ccccc21 66148108 MTYSPTUPQCBBJA-KNOQFWTLSA-N 403.478 3.724 0 1 HHAF O=C(NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CC1 72102462 OWORZGPKIQYFCP-LJQANCHMSA-N 404.436 3.575 0 1 HHAF COC(=O)c1sccc1NC(=O)CSc1nncnc1-c1ccccc1Cl 95562658 HOEKQUUTMMZRDX-UHFFFAOYSA-N 420.903 3.771 0 1 HHAF O=C(NCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1cccc(F)c1 95593016 CNAOEQIRPNCEJP-UHFFFAOYSA-N 414.412 3.634 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccncc45)ccc31)[C@@H]1CC[C@H](C2)N1 96175286 BTMMENVDRRTWFL-BEFAXECRSA-N 403.507 3.909 0 1 HHAF CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@](C)(O)CC4)nc3cc2Cl)CC1 100423317 NXSFKUCSWRJBEE-HZCBDIJESA-N 418.969 3.872 0 1 HHAF Cc1c(Cl)cccc1N1C(=O)c2ccccc2[C@]1(O)c1ccc2c(c1)NC(=O)CO2 116252546 RWZGTKNZCVARNP-HSZRJFAPSA-N 420.852 3.833 0 1 HHAF CC(C)=CCC/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O 238768598 UIQGUYKNKBPJPR-PUWVMBCZSA-N 421.559 3.681 0 1 HHAF COc1ccc2c(C)c(CCc3nc4cc5c(cc4[nH]3)OCCO5)c(=O)oc2c1C 586918814 PTZMZXMKIXJMHC-UHFFFAOYSA-N 406.438 3.851 0 1 HHAF CCOc1n[nH]c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1Br 586979575 QBQLAYTWIRXHKK-UHFFFAOYSA-N 421.480 3.925 0 1 HHAF Nc1nc(Cl)c2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)nc-2[nH]1 587020469 BJRJJRTVIOMWIA-UHFFFAOYSA-N 420.889 3.891 0 1 HHAF CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587208647 DAQAKWBMRONAPR-FYSMJZIKSA-N 418.518 3.890 0 1 HHAF COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1OCC(=O)NC(C)C 587225716 UVTSAMHKIKIRQV-UHFFFAOYSA-N 411.355 3.698 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(I)cccc1OC)[C@@H](C2)C3=O 587426370 CRTGIHJDOMFFQO-BBATYDOGSA-N 422.218 3.797 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587450056 LYIGDEJKZRNYGJ-DFBJGRDBSA-N 412.397 3.629 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)O)CC2=O 587475108 JGQUBYYEHJPPQV-YADARESESA-N 409.482 3.655 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593425 DCYQQPJJGBOUBJ-MBSDFSHPSA-N 412.438 3.661 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 587768654 LPDWBSNZUDYPHV-YUNKPMOVSA-N 417.278 3.784 0 1 HHAF CCOC(=O)C[C@@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587851237 BMCPSOPAUHUJMZ-BMLIUANNSA-N 413.312 3.776 0 1 HHAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccccc32)CC1 653666586 MCGINKGRHKIVAN-JCNLHEQBSA-N 412.921 3.686 0 1 HHAF O=C1c2ccccc2[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@H]1c1ccncc1 962731485 SOAAPBRKKQNHDE-JTAQYXEDSA-N 422.406 3.951 0 1 HHAF COc1cccc([C@]2(c3cc(F)ccc3F)NCCc3ccc(C(=O)N(C)C)cc32)n1 962926942 CIDRVNCRJLNOGJ-DEOSSOPVSA-N 423.463 3.508 0 1 HHAF O=C(O)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1F 963201168 YDKFADFWQJDCIQ-ZFWWWQNUSA-N 417.742 3.884 0 1 HHAF COc1ccc(/C=C/c2nc3cc(OC)c(OC)cc3c(=NCCCN(C)C)[nH]2)cc1 1857559282 SHKGLQMWHNVALB-FMIVXFBMSA-N 422.529 3.612 0 1 HHAF C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 61924204 AMSSLBFITGIVKC-NQCBNZPSSA-N 424.589 3.811 0 3 HHAF CCN(CC)CCOC(=O)[C@@](C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 29323249 JNWQHLUYBJFULU-DEOSSOPVSA-N 412.530 3.938 0 1 HHAF CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13 40867086 QWQUMFUHVQONHL-JHVJFLLYSA-N 418.324 3.558 0 1 HHAF CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 64448102 GZYYNOYMYXMJLB-QFIPXVFZSA-N 415.497 3.853 0 1 HHAF O=C(C1CC1)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72103400 KRARWEUCTJCQJC-IBGZPJMESA-N 404.436 3.575 0 1 HHAF CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 82072723 ANMCZXOOPSXEFX-FQEVSTJZSA-N 413.518 3.578 0 1 HHAF COc1ccccc1CN1[C@@H]2CN(C(=O)C3CCCCC3)c3ccccc3[C@@H]2[C@@H]1CO 95894764 WTXSGWSQTIWVGJ-CUYJMHBOSA-N 420.553 3.951 0 1 HHAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1ccc(-c2ccccc2)cc1 96929556 OPPYEMFADCEJBF-QFIPXVFZSA-N 407.514 3.529 0 1 HHAF O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@](O)(c1ccccc1)C1CCCCC1 101141702 XIEIWOYKIDQUIF-DDRRAVBJSA-N 404.554 3.701 0 1 HHAF Cn1cc(-c2cc(N3CCOCC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144892604 XQDFXIFXLHOYSF-OAQYLSRUSA-N 415.415 3.702 0 1 HHAF CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@@H]4CCCNC4)C3=O)ccc12 165064072 IEUPVAAEHASTLE-QGZVFWFLSA-N 421.570 3.989 0 1 HHAF CO[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697210 LSKZCQKQGRUHKQ-CMKODMSKSA-N 416.562 3.695 0 1 HHAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@H]3C/C(C)=C/C[C@H](OC(C)=O)[C@@](C)(O)[C@H](O3)[C@@H]2[C@H]1C(C)C 238783089 VXAZNVCCWPGZMQ-VHZSYRABSA-N 420.546 3.573 0 1 HHAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cs1 587019855 XWPPFJFYSMHCCI-UHFFFAOYSA-N 400.386 3.718 0 1 HHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 587117246 FPUFEEBKODZXJD-UHFFFAOYSA-N 405.424 3.536 0 1 HHAF CC(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 587183860 KDVWWJVBSXCENY-CQSZACIVSA-N 405.239 3.613 0 1 HHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](N1CCS(=O)(=O)CC1)CCC3 587209180 MOFSGQIBGJDOOB-FQEVSTJZSA-N 418.518 3.554 0 1 HHAF O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587358773 XHWZGGNWRVEGOC-OFNKIYASSA-N 408.381 3.662 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)CC2=O 587477512 RMSARPZAMSPICC-OYLFLEFRSA-N 407.466 3.743 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 587719604 LHTHVLAOQWNISV-PWCHPLFNSA-N 408.193 3.670 0 1 HHAF COC(=O)[C@H]1CC2=C(CN1CCCc1ccccc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356826498 HSRZNLOUJDBWRH-JOCHJYFZSA-N 424.952 3.956 0 1 HHAF CCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCC1CC1 12726708 MORXOEZWAYTUHL-UHFFFAOYSA-N 407.923 3.900 0 3 HHAF CCOC(=O)CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 36381937 FFPFPZSCNMVKJQ-TUXXCZFBSA-N 420.303 3.699 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1cccc(Cl)c1 95567561 LTRGDQQCZCPPQV-IBGZPJMESA-N 405.903 3.884 0 3 HHAF Cc1nc2sc3c(c2c(N)c1C(=O)OCc1ccccc1)CCC1(C3)OCCO1 599038 WCGDTLCLIHLMRA-UHFFFAOYSA-N 410.495 3.776 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCOC 4055355 JACYBLGQGVJJDG-CTNGQTDRSA-N 416.905 3.983 0 1 HHAF CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 8635998 BLFNSRNKQFZKGT-OALUTQOASA-N 418.534 3.569 0 1 HHAF biogenic Cc1[nH]c([C@@H]2CCCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)nc1-c1ccccc1 13583526 MKNJLSBSRYKNIQ-SFTDATJTSA-N 404.514 3.714 0 1 HHAF COc1ccc(/C=C2\C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)cc1 13704229 IJMLTDYFDBQWIO-SCVJVIIRSA-N 404.503 3.618 0 1 HHAF O=C(NC[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1)[C@@H]1CCCO1 14994180 VGPKOPQQPSUYOP-HKUYNNGSSA-N 407.388 3.851 0 1 HHAF COCn1cc([C@@](O)(C(=O)O)C(F)(F)F)c2cccc(OCc3ccccc3)c21 28961343 FEPAXXHRCVGCSS-LJQANCHMSA-N 409.360 3.659 0 1 HHAF C[C@H](C(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35050525 SYAGMHJYAAEYAK-RRGSWWRUSA-N 403.563 3.763 0 1 HHAF CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1 53230487 CYJPXJAPGFPLKU-UHFFFAOYSA-N 402.458 3.519 0 1 HHAF CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CCCCOC(=O)C(F)(F)F 82186975 AZRKZRGCZQOWRJ-UHFFFAOYSA-N 413.444 3.732 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C)CC1 95867544 KCUPEQASNPUUCR-JOCHJYFZSA-N 423.532 3.828 0 1 HHAF O[C@@H](N1CCC[C@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1)C(F)(F)F 118718649 TYIKZIHQTXJZEF-IFXJQAMLSA-N 403.408 3.594 0 1 HHAF Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3C)cc2)c(C)c1CC(=O)O 169703182 USQIYXXYSVMEER-UHFFFAOYSA-N 416.481 3.919 0 1 HHAF CCCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 169709163 PXKFAJGTXBMIAF-HNAYVOBHSA-N 401.482 3.864 0 1 HHAF O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1C(=O)N[C@@H](CCc2ccccc2)C1=O 169727265 BHLLOWUBZTXFOH-VXKWHMMOSA-N 404.510 3.989 0 1 HHAF O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCCc1c[nH]c2ccc(O)cc12 299823747 TYNSHDHFCDCPDO-IBGZPJMESA-N 413.477 3.752 0 1 HHAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cnccc3[nH]2)C[C@@H](C)O1 586968169 LBPNIRBGQNYUHU-ZIAGYGMSSA-N 406.515 3.807 0 1 HHAF Cn1nc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(I)c1C(=O)O 587181468 RLBAXFNFAWNYCP-UHFFFAOYSA-N 424.242 3.564 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587194573 VGUHBMBGFPOMEA-IBGZPJMESA-N 424.549 3.912 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cc(C(=O)OCC)cn3)nc1)CC2=O 587474091 AXIHDOCULZETQP-HXUWFJFHSA-N 421.453 3.809 0 1 HHAF COCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530055 DIYYJPIVEMYBGC-NRFANRHFSA-N 400.496 3.692 0 1 HHAF CC(C)(C)OC(=O)N1CC(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587583147 QWYWCDTXEZYIFK-OALUTQOASA-N 411.454 3.979 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 587801608 HCCVRHFEWDCNKU-DGIBIBHMSA-N 403.251 3.932 0 1 HHAF Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3 653738097 KPFJYRMZTKXKJH-JIMJEQGWSA-N 400.522 3.682 0 1 HHAF COc1cccc([C@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)c1 653846194 FELOSUHWLXZICI-QFIPXVFZSA-N 423.513 3.878 0 1 HHAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1ccc(N2CCCC2=O)cc1 961319400 IJBGSNYNBVDLTH-RUZDIDTESA-N 408.542 3.980 0 1 HHAF CN1CCc2c(Br)cccc2[C@]1(C)c1cccc(N2C(=O)C=CC2=O)c1 963281641 UEDCSOPPSGYEFW-NRFANRHFSA-N 411.299 3.630 0 1 HHAF CC(C)[C@@H](N)[C@@]1(C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963415215 KVWTZICOTQZTAQ-ROKPMTFOSA-N 405.498 3.518 0 1 HHAF Cc1nnc([C@@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)s1 963841943 UFDOGJMMFVFTIY-PBHICJAKSA-N 403.504 3.881 0 1 HHAF O=C(N[C@H]1CN(CC2CCCCC2)CCC[C@H]1O)c1ccc(OCC2CC2)cc1 2356859606 SWFZWXNYZVHZJL-XZOQPEGZSA-N 400.563 3.611 0 1 HHAF CCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(C)Cc1cccs1 61896177 PDFDTFCBAAOFHE-UHFFFAOYSA-N 419.554 3.962 0 3 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC=C[C@](C)(O)CC[C@@H](O)C(C)(C)O 2356305867 NZEJTWMPBBOFLP-QPPBQGQZSA-N 416.514 3.727 0 1 HHAF CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466677 YARCPSFQASPPDP-RPWUZVMVSA-N 419.569 3.762 0 3 HHAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC 4049536 BHELPVDWHSEXAE-QUCCMNQESA-N 412.486 3.721 0 1 HHAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@@H]2[C@@H]1O 2356372050 WNFNEOMOCHBMGF-PZMQMKGLSA-N 420.638 3.989 0 1 HHAF COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cccc(OC)c1 100705608 ZTQICNBQUKMLTD-GFCCVEGCSA-N 409.467 3.893 0 1 HHAF O=C(O)CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[C@H]2CCCCC[C@H]21 53122799 HNROBLLXPPBPNO-IEBWSBKVSA-N 418.490 3.947 0 1 HHAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc2c(c1)OCO2 27763419 NSOZOXYKWUSGAN-CPJSRVTESA-N 422.525 3.577 0 1 HHAF CC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 64539686 AGHKEJJPPICBKN-UHFFFAOYSA-N 417.473 3.736 0 1 HHAF CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)NCc3ccccc3OC)cn12 61908220 UZWYJYJVVBOLMD-UHFFFAOYSA-N 408.502 3.734 0 3 HHAF COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CC(=C(C)C)SC(N)=N3)c2)cn1 68197551 KGOHZCKUSDEIQA-FQEVSTJZSA-N 415.494 3.837 0 1 HHAF COc1cc(C[C@H](C)[C@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356662711 CYZCXBPLKCLBKE-STQMWFEESA-N 404.459 3.830 0 1 HHAF C[C@@H]1CC[C@@H](N2CC[C@@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 73224497 XXRJWFOMOOANJW-DZTNWFRXSA-N 414.553 3.912 0 1 HHAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95798364 SNBXOFNUQREFDT-XZOQPEGZSA-N 408.517 3.557 0 1 HHAF COc1cc([C@@H]2CC(=O)c3c(O)c(CCO)c(O)c(CC=C(C)C)c3O2)ccc1O 59777298 WSOXDOHWHXWKEQ-SFHVURJKSA-N 414.454 3.562 0 1 HHAF biogenic CC(=O)OC[C@H]1[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@@H]2CC[C@H]1[C@H](C)OC(C)=O 299816436 ZAFHWUCEOHMPTI-HTPXWBRDSA-N 408.535 3.902 0 1 HHAF Cc1nc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2cc1Br 586947709 BNLZHIXNYYRUHY-UHFFFAOYSA-N 409.309 3.846 0 1 HHAF COc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1C 586935441 HOTRACNGWVSRKI-HNNXBMFYSA-N 405.545 3.653 0 1 HHAF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Br 586976638 GTPKKLIDVAWUGO-HWKANZROSA-N 400.232 3.835 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 587123230 HGMPUAUPGVGVGQ-ZBEGNZNMSA-N 408.428 3.674 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 587561270 OSILFUBJJACNOM-DLSKCYOPSA-N 409.530 3.754 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(C(=O)O)noc4C)cc1)[C@@H](C2)C3=O 587436094 LRHXHGRZNFUGLX-AOMKIAJQSA-N 421.405 3.758 0 1 HHAF O=S(=O)(O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587042280 CIUWCQYTROTCQD-UHFFFAOYSA-N 408.526 3.867 0 1 HHAF CC(C)(C)OC(=O)[C@]1(C2=COCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614029 BILDDBRCHHJBOH-WZONZLPQSA-N 410.422 3.739 0 1 HHAF O=C(Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1)c1ccccc1 587651992 JBWLKPPNNIDGFE-UHFFFAOYSA-N 403.825 3.991 0 1 HHAF COC(=O)c1cc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2cc1OC 587073087 AVHRNYZJZHTHEV-UHFFFAOYSA-N 411.849 3.627 0 1 HHAF CCOC(=O)[C@H]1Cc2c(nc(C)n2C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516944 YAKRGTWWPGEOHA-FYSMJZIKSA-N 408.498 3.594 0 1 HHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587069744 JWQUKULXEGKNBU-SNVBAGLBSA-N 408.683 3.962 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963637524 SNWKTPCADKXYLS-XMHCIUCPSA-N 417.889 3.533 0 1 HHAF CCc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183581 JOMDPIJDPQBUQT-AUUYWEPGSA-N 424.806 3.716 0 1 HHAF NC(=O)c1cnn2c1N(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)C2 1772639720 IYJCSHSRTQKMDB-MRXNPFEDSA-N 415.375 3.794 0 1 HHAF COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCN(C(C)=O)CC2)c(F)c1 13470576 YPDNBDTYVDBDQF-CSKARUKUSA-N 414.502 3.689 0 1 HHAF Cc1cc(Nc2cc(Nc3ccccc3C(N)=O)ccn2)ccc1N1CCOCC1 169330402 RLKZQXJRIHBIMD-UHFFFAOYSA-N 403.486 3.813 0 1 HHAF C[C@H](CO)NC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 6201974 NGOJVBATSPYRKC-CDHRTYLYSA-N 424.541 3.813 0 3 HHAF COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(C(=N)N)cc1 1857582999 PYYIGZSQKIBTPL-UHFFFAOYSA-N 411.483 3.881 0 1 HHAF COc1cccc(-c2cc3c(cn2)[nH]c(=NCCc2cc(OC)ccc2OC)n3C)c1 1857615032 JRRTZPYWCNROHX-UHFFFAOYSA-N 418.497 3.738 0 1 HHAF COc1ccc([C@H]2[C@@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N(C)C 1857655833 GOKGXSADEBRGLP-ZUOKHONESA-N 400.475 3.511 0 1 HHAF CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(CC)CC)c(C)c3C[C@H]2C1 601822 LCXJNOQXEGZLDX-UQBPGWFLSA-N 409.574 3.889 0 1 HHAF CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4206508 MNTPHJWHNWYWKX-PKOBYXMFSA-N 405.951 3.951 0 1 HHAF CN1CCc2ccccc2[C@@H]2c3cc(O)c(I)cc3CC[C@H]21 13605864 IVGSTXXJKUDQDU-IEBWSBKVSA-N 405.279 3.931 0 1 HHAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1OC(=O)CC(C)C 14779778 ZQXNTAIEPXSPBP-UHFFFAOYSA-N 414.410 3.840 0 1 HHAF biogenic CC(=O)OC[C@@H]1[C@@H]([C@@H](C)OC(C)=O)CC[C@H]2[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)CC[C@@H]12 17260061 ZAFHWUCEOHMPTI-XCFSHWCHSA-N 408.535 3.902 0 1 HHAF Cc1ccccc1-c1cc(NCc2ccc[n+]([O-])c2)n2ncc(Br)c2n1 24931709 DXUJQXZHHGJMFM-UHFFFAOYSA-N 410.275 3.713 0 1 HHAF in-vivo CC(=O)Oc1c(CC[C@@H]2CCCCN2C)c(=O)n(-c2ccccc2)c2ncccc12 26186057 CMWRHHZNEBTTBF-SFHVURJKSA-N 405.498 3.728 0 1 HHAF COc1ccc(NC(=O)Nc2c(O)nc(C)c3c(OC)c(OC)c(OC)cc23)cc1 28096025 HRNPMRXYWUAQBM-UHFFFAOYSA-N 413.430 3.927 0 1 HHAF Cc1ccc(OCCNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 28525055 BCXZCGAWVZYFKS-FGZHOGPDSA-N 418.493 3.568 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCCO2)nc1 34717776 OYWWKKYTRPWVCD-HSZRJFAPSA-N 408.454 3.843 0 1 HHAF COCn1ncc2cc(-c3cccc(NC(=O)c4csc(NC(C)=O)n4)c3)ccc21 45186676 AAZIEJWIPISLGU-UHFFFAOYSA-N 421.482 3.974 0 1 HHAF Cc1ccc(C)c(CN2CCCN(C(=O)c3nn(C)c4c3COc3ccccc3-4)C2)c1 58133768 VYUSLQVQZJFIJF-UHFFFAOYSA-N 416.525 3.902 0 1 HHAF CC(=O)NCCn1c(-c2cccs2)nc2c(NCc3ccc(C)cc3)ncnc21 82179280 XXUAJBNHRRQXCL-UHFFFAOYSA-N 406.515 3.611 0 1 HHAF Cc1c(-c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O 84652497 BPVFCGQLRYFYEO-UHFFFAOYSA-N 414.509 3.699 0 1 HHAF CCn1c(S)nnc1CSc1nc2ccccc2c(=O)n1CCc1ccccc1 98085147 DFYITIABJYGRPL-UHFFFAOYSA-N 423.567 3.832 0 1 HHAF CN1CCN(C2=Nc3cc([123I])ccc3Nc3ccccc32)CC1 101115829 IWISDWLQUURCRG-UTFYOAIGSA-N 414.284 3.674 0 1 HHAF CN(CCCN1CCCCC1)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 103301004 BVOXMRCNUZOHLJ-UHFFFAOYSA-N 407.558 3.903 0 1 HHAF COc1cccc(OC)c1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225043530 IPZIGFRIBRGGLX-UHFFFAOYSA-N 422.466 3.510 0 1 HHAF C[C@@H](NCCCS(=O)(=O)NCCNc1cccc2ccccc12)c1ccccc1 299819396 CIYGJTHXHPLDIM-LJQANCHMSA-N 411.571 3.912 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnccc3[nH]2)C[C@@H](C)O1 586968168 LBPNIRBGQNYUHU-OKILXGFUSA-N 406.515 3.807 0 1 HHAF Cc1csc([C@@](O)(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C(F)(F)F)n1 587094145 LAKDYGJRZIVULM-ZDUSSCGKSA-N 407.320 3.642 0 1 HHAF COC(=O)c1cc2[nH]c(-c3c(N)cncc3OC)nc2c(F)c1Nc1ccccc1 587252841 POKOODROQITIBW-UHFFFAOYSA-N 407.405 3.885 0 1 HHAF Cc1nn(CC(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340350 HIFFBXOBUCQXCC-GGAORHGYSA-N 424.428 3.704 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCN3CCOCC3)c1)CC2=O 587478033 ZIWHFHIXEXJGJH-HSZRJFAPSA-N 411.498 3.762 0 1 HHAF C[C@@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584686 AIXYNMHDRUDSLH-RDPSFJRHSA-N 401.418 3.769 0 1 HHAF COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587594886 PPSRHSFEJKBOBZ-XXBNENTESA-N 406.390 3.761 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 587739407 GWJWIYLGJLDRKX-FKIZINRSSA-N 421.310 3.679 0 1 HHAF CCn1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587761666 BUVAARMJADTOSP-RHYDYQQPSA-N 407.331 3.658 0 1 HHAF COc1cc(CCc2cc(Nc3ncnc4cccc(OC)c34)n[nH]2)cc(OC)c1 653842172 ZWNUWXBTLAQUPP-UHFFFAOYSA-N 405.458 3.908 0 1 HHAF CCSc1ccc2c(c1)NC(=O)[C@]21c2cc(OC)ccc2CCN1CCCOC 961329125 XNLNJLMUAWOQKN-HSZRJFAPSA-N 412.555 3.898 0 1 HHAF Cc1cccc2c1[C@]1(NCC3(CCOCC3)c3cccc(C(F)(F)F)c31)C(=O)N2 962957029 NPSPOVKTOMFDIT-OAQYLSRUSA-N 402.416 3.861 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(-c3ccccn3)[nH]n2)N1 963174085 QBNWICQSCFPWDS-YOEHRIQHSA-N 422.794 3.832 0 1 HHAF COC(=O)c1csc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963175823 BZTXBGWXEUWGKC-IINYFYTJSA-N 419.808 3.895 0 1 HHAF CN(C)CCCCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963234655 RBEDUUKRWPFMKP-DNQXCXABSA-N 419.525 3.644 0 1 HHAF COc1cc2nc(N(C)Cc3ccccc3)nc(NC3CCN(C)CC3)c2cc1OC 1772571824 GRCRJEGHKCSKNE-UHFFFAOYSA-N 421.545 3.790 0 1 HHAF CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(C)(C)CF)c1O 1772601361 HSBSYPIMBQGRTP-GFCCVEGCSA-N 404.891 3.798 0 1 HHAF C[C@@H](C(=O)O)n1cc(-c2cccc3c2C(=O)c2ccccc2[C@@]3(O)C(F)(F)F)cn1 1857541186 WCPRXVWWCVQOSC-YBTHPKLGSA-N 416.355 3.538 0 1 HHAF Cc1ccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)c(F)c1 1857558302 SDAPKLQQYZLFGH-UHFFFAOYSA-N 415.472 3.950 0 1 HHAF O=C(O)[C@H]1C2CCC(CC2)[C@@H]1N=c1[nH]c(-c2c[nH]c3ncc(F)cc23)nc2ccoc12 1857567281 LFSUYYGJZHPWTL-VOGSPBGVSA-N 421.432 3.628 0 1 HHAF CC(C=CC=CC=CC=CC(=O)O)=C[C@H](C)[C@H](O[C@@H]1C[C@H](O)[C@@H](O)[C@@H](C)O1)C(C)C 2356335427 ZOGIGJKRUBEBDV-RZBRKVDBSA-N 420.546 3.776 0 1 HHAF C[C@@H]1C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)O)C4)O1 2356402084 YBYHQICXTIWWIY-WYRIXSBYSA-N 422.433 3.740 0 1 HHAF O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)c2ccccn2)CC1 12751315 FXDWSQYYLHMAHO-UHFFFAOYSA-N 408.437 3.539 0 3 HHAF COc1ccc(CNC(=O)[C@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1OC 61925608 QOZGUSYOIGUDEC-OAQYLSRUSA-N 408.429 3.525 0 3 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F 2492777 MLOMWMKDNPPSGK-BPUSCYKRSA-N 410.489 3.594 0 1 HHAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4052618 CXKICOFMHQAMQI-HKUYNNGSSA-N 404.869 3.706 0 1 HHAF Cc1c(C(=O)Nc2nc3ccc(Br)cc3s2)sc2nc[nH]c(=O)c12 8766725 YGHKXCFRBOFZSK-UHFFFAOYSA-N 421.301 3.918 0 1 HHAF O[C@@H]1[C@@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)OC[C@@H](O)[C@H]1O 13385848 SYACLHGRMBPYAS-QQUTXWOLSA-N 422.868 3.694 0 1 HHAF biogenic CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1 13444591 KJWJYNTUXOGLFR-UHFFFAOYSA-N 424.607 3.574 0 1 HHAF O=C([C@@H]1CCc2ccc(OCc3ccc(C(F)(F)F)cc3)c(=O)n21)N1CCCC1 40917745 ZXKNONXNPUUWDO-KRWDZBQOSA-N 406.404 3.556 0 1 HHAF NC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccccc1 45257282 NJCKKZFNVJMMLN-UHFFFAOYSA-N 403.463 3.910 0 1 HHAF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Nc3ccccc3)ncc1CC2 49113260 JXRYPFSBKNWJBW-UHFFFAOYSA-N 411.469 3.562 0 1 HHAF NS(=O)(=O)c1ccc(SCc2ccccc2)c(C(=O)NCc2ccccc2)c1 49784581 UWXYGZQIRPAISJ-UHFFFAOYSA-N 412.536 3.556 0 1 HHAF COc1cnccc1C(=O)c1cc(NS(C)(=O)=O)cc(-c2cccc3[nH]ccc23)c1 66103512 IMFGFTIODFTGMW-UHFFFAOYSA-N 421.478 3.841 0 1 HHAF COc1cc(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)cc(OC)c1 82068469 RYPNVYUFGRBMLS-UHFFFAOYSA-N 418.457 3.521 0 1 HHAF COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82136366 AVMJOUGYHCUWAO-HZPDHXFCSA-N 400.498 3.531 0 1 HHAF CS(=O)(=O)N(Cc1cnc[nH]1)c1cc(F)cc(-c2nc3ccccc3s2)c1 96937933 FSAVSSXXRZVCCT-UHFFFAOYSA-N 402.476 3.792 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)c(OC)c1 102637918 XVNXPSHUKZUHRX-CCKFTAQKSA-N 422.481 3.882 0 1 HHAF NC[C@]1(c2cccc(Cl)c2)CC[C@H](N2CCn3c(nnc3C(F)(F)F)C2)CC1 103263398 RYNLQLYPXPWTEN-RHNCMZPLSA-N 413.875 3.605 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3cnccc3[C@]12c1ccc(Cl)cc1 115095977 GZBWENPHBOHHSG-JOCHJYFZSA-N 407.832 3.687 0 1 HHAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2OC)CC3)n1 141183035 YLNBFVGRQWEZLB-UHFFFAOYSA-N 415.501 3.535 0 1 HHAF COc1cc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc2c3c(oc12)CCNC3 147927195 QIEKBGXBQROTJI-UHFFFAOYSA-N 411.401 3.939 0 1 HHAF O=C1NN=C(c2ccc3nc(-c4ccc(CN5CCCCC5)cc4)oc3c2)[C@@H]2C[C@H]12 168971864 RMFWPFHJDLPTSH-MOPGFXCFSA-N 400.482 3.951 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CCO)c4ccccc4)ncc23)ccn1 219764113 XOYWSUGZHKBODO-GOSISDBHSA-N 402.458 3.574 0 1 HHAF Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1ccc3nnn(C)c3n1)C2=O 220281621 DDIGBXFXYQBMSG-SFHVURJKSA-N 419.876 3.606 0 1 HHAF COc1ncccc1-c1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 225560699 LKBMVQJWPVAGOH-GASCZTMLSA-N 416.485 3.704 0 1 HHAF CCn1c(C)nnc1[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1 299867586 QIUFQJNLNIREGJ-SFHVURJKSA-N 422.913 3.661 0 1 HHAF CCOC(=O)c1cnn(-c2ccc(-c3nc4nccc(N)c4[nH]3)cc2)c1C(F)(F)F 587114479 BJJAFOGTIFVNKO-UHFFFAOYSA-N 416.363 3.588 0 1 HHAF COC(C)(OC)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341785 YLYVQXLCIRIZMW-MUHIBDNSSA-N 415.461 3.713 0 1 HHAF CC(C)(C)[C@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361586 WLPXTJJRIHHSMG-GHTZIAJQSA-N 406.475 3.720 0 1 HHAF C[C@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538909 CFHNUYGEYIIECV-VQIMIIECSA-N 415.243 3.772 0 1 HHAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590556 SQZHENVGHVKVBQ-RDPSFJRHSA-N 415.401 3.904 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(O)c1OC 587593292 LENQPMFDWUWRBT-AUSIDOKSSA-N 408.406 3.992 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 587715608 CDSQEHTWDPHNNP-VVVCHXIZSA-N 416.241 3.589 0 1 HHAF COCCn1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587759837 WBUFKKZCDFJXNC-WYRIXSBYSA-N 410.331 3.846 0 1 HHAF CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587766709 WNAUIQZVYJTUEF-CWTRNNRKSA-N 424.314 3.536 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2c[nH]nc2N)N1 587850664 DVPPKWGBSFVAIF-VVVCHXIZSA-N 407.312 3.781 0 1 HHAF Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc12 618005056 HPIXUNUTGHGEAR-UHFFFAOYSA-N 415.449 3.739 0 1 HHAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3Cl)cc2/C1=C/c1ccc[nH]1 1772578452 PYPYLQHZPQEWQO-ZZODWALSSA-N 407.857 3.624 0 1 HHAF O[C@H]1c2ccccc2[C@@H](O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911575994 YQBDIPLMHJBTGF-FCHUYYIVSA-N 409.367 3.828 0 1 HHAF CC1=C[C@H](CNCCN2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356477919 MHNPUUJSWIQIJL-PWRODBHTSA-N 418.626 3.686 0 1 HHAF O=c1cc(N2CCOCC2)oc2cc(OCc3ccc(Br)cc3)ccc12 13676989 VJEXJBQVQBXOIO-UHFFFAOYSA-N 416.271 3.971 0 1 HHAF O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc2c(c1)OCO2 13725198 PLYSIHPGRWFJKJ-UHFFFAOYSA-N 411.502 3.992 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC1CC1)[C@@H](c1ccc(I)cc1)C2 13740267 XVJBDXSALDAGPI-SVGFKBNWSA-N 411.283 3.563 0 1 HHAF CCCN(CC1CC1)C(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 15074982 HWSKBOLOKSCHSC-UHFFFAOYSA-N 412.622 3.715 0 1 HHAF COc1cc(C(=O)O)ccc1COc1ccc(C(C)=O)c(O)c1CCCC(C)=O 27898895 WBKNGLAZNOJYHK-UHFFFAOYSA-N 400.427 3.792 0 1 HHAF CN(Cc1ccncc1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4 28569634 MLPQINLLHGRTNQ-UHFFFAOYSA-N 410.477 3.720 0 1 HHAF O=C(c1ccc(F)c(Cl)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 59287542 CNEISVGACLIAJX-UHFFFAOYSA-N 403.187 3.900 0 1 HHAF CCOc1ccc2nc(S[C@@H](C)C(=O)NS(=O)(=O)c3ccccc3)sc2c1 72175377 OOIMWNWJERNGIL-LBPRGKRZSA-N 422.553 3.681 0 1 HHAF Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@@H]2C(=O)N(C)C)CC1 84708464 VQFSMIZJZKBHKC-XMMPIXPASA-N 419.569 3.611 0 1 HHAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1CCC(F)(F)F 95667204 UVBWQNLXXKUSLN-PWRODBHTSA-N 424.438 3.710 0 1 HHAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2ccncc2c1 96282782 IFJCXAWCHSIXSP-UHFFFAOYSA-N 402.475 3.998 0 1 HHAF CC[C@H]1CC(O)=C2C1=N[C@H]1COCC(=O)[C@@H]1[C@H]2c1ccc(F)c(Br)c1 101411098 ZUDLMLQKCUFUOJ-RBOIERGSSA-N 408.267 3.953 0 1 HHAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1)C(Cl)(Cl)Cl 103295075 QPPVQBUUZDXRBG-LLVKDONJSA-N 409.561 3.930 0 1 HHAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccccn5)[nH]c4C)ccc3[nH]2)n1 115831629 GNZJBBKRFWJAFQ-UHFFFAOYSA-N 413.441 3.550 0 1 HHAF O=C(c1ccccc1-n1cccc1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116823795 NFIXQZPDPPQXDR-RTBURBONSA-N 409.493 3.629 0 1 HHAF COc1cc([C@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 135757280 RGWQWUWITAFJJO-KOMIRPDLSA-N 402.443 3.628 0 1 HHAF CCCCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@@H]1CCCNC1 168426769 GYZHHOFFRYNRHF-QGZVFWFLSA-N 413.566 3.974 0 1 HHAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc3ccn(C)c3c2)C(=O)O1 169353138 FKPDQMIETMHJBH-GWZGDKMZSA-N 413.514 3.999 0 1 HHAF CO[C@@H](C)c1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 220222458 SUQHAYCAQYBTIP-APHBMKBZSA-N 403.490 3.539 0 1 HHAF C/C=C/c1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 238733264 XLISRJBFLZABKA-OCIFBBHSSA-N 404.459 3.961 0 1 HHAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 253677495 JOCGWOQFKXCOGL-LSHRBJLDSA-N 413.650 3.991 0 1 HHAF CCCOc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1Cl 261192052 ZOFSYDWVIGGCMG-KBXCAEBGSA-N 418.925 3.774 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2c1 586881490 GOTNXMAZLALSRS-SREVYHEPSA-N 401.216 3.877 0 1 HHAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cnnc(O)c4[nH]3)c(=O)oc2c1C 586918324 PKUJLAPFRKXJKY-UHFFFAOYSA-N 406.442 3.718 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1)N1CCC1 586955012 CTTDJYHEXARTCD-UHFFFAOYSA-N 419.787 3.834 0 1 HHAF CCOC(=O)/C(=C\N(C)C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586987374 DZPLOBHQQZILTL-VBKFSLOCSA-N 402.450 3.926 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587258836 UOGCBYWDYUDGEC-KRWDZBQOSA-N 406.417 3.972 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(C(=O)O)noc4C)cc1)[C@@H](C2)C3=O 587436095 LRHXHGRZNFUGLX-KSFYIVLOSA-N 421.405 3.758 0 1 HHAF C[C@]1(c2cccc(N3CCCS3(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587529573 AEEIJADXSFKLRS-HSZRJFAPSA-N 411.523 3.986 0 1 HHAF CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 587596190 RFZIQORVQMVDQG-RDGATRHJSA-N 416.477 3.847 0 1 HHAF Cn1cc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 587609136 BQUMNHOSGPOICO-PXNSSMCTSA-N 405.435 3.952 0 1 HHAF CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703918 HNTAOUFYNXMDEP-ATMGAIRJSA-N 416.184 3.781 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3ncnc(N)c32)N1 587745514 JSWGBUYQKNVRBF-OVWNDWIMSA-N 405.315 3.711 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 587765391 JRPLIRPRDIHINV-MPBGBICISA-N 418.310 3.916 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1cccc(F)c1 587861956 YLPNQVFPQMAAFY-UHFFFAOYSA-N 421.350 3.787 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(S(C)(=O)=O)cc1 587872033 HIKFIOVZJQTUOO-UHFFFAOYSA-N 403.435 3.572 0 1 HHAF COc1ccc(-c2ccc(CCC(=O)O)n2-c2c[nH]cc(Br)c2=O)cc1 587939996 GPUJTUKZCKCZRU-UHFFFAOYSA-N 417.259 3.621 0 1 HHAF COC(=O)c1cc([C@@]2(c3ccccc3)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c[nH]1 962618753 DQAARKKLBNGNCJ-CPJLOUKISA-N 420.509 3.987 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962700609 KFHVENNTTANKJU-AHIVWLDNSA-N 422.422 3.934 0 1 HHAF CS(=O)(=O)C[C@@]1(c2cccc(F)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962709443 OBPMFTLCWBGXTG-DYESRHJHSA-N 423.550 3.617 0 1 HHAF COc1cccc([C@@]2(c3cccc(C)c3)NCCc3ccc(C(=O)N(C)C)cc32)n1 962932121 FBSIFZSOPVDPBL-VWLOTQADSA-N 401.510 3.538 0 1 HHAF COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c[nH]1 963130622 LMJBFCJTCZEIDY-HSZRJFAPSA-N 424.884 3.785 0 1 HHAF O=C1C[C@H](c2ccc(F)cc2)[C@H](n2cncn2)[C@@]2(C1)NCCc1cc(Cl)ccc12 963391685 WUBBVSNPVXTGHV-HJNYFJLDSA-N 410.880 3.800 0 1 HHAF CC[C@]1(CC(C)=O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963447624 LRFAZJAALIYPDD-RDPSFJRHSA-N 404.466 3.904 0 1 HHAF Cc1cc(-c2nc3ccc(OC(C)C)nc3n2[C@H](C)c2ccccn2)cn(C)c1=O 1772624626 JWEPPNADKYBEOM-MRXNPFEDSA-N 403.486 3.897 0 1 HHAF COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3F)c2=O)c1 1857554352 VPNVFLJQOPGSPE-UHFFFAOYSA-N 415.852 3.582 0 1 HHAF COc1ccc(CCN(C)C(=O)NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 1857764682 RKULCSBEXLRHKR-UHFFFAOYSA-N 416.477 3.951 0 1 HHAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNS(=O)(=O)c2ccc(OC)cc2)C=C1C 2356320223 OJPRPHHBBUSLQA-WAOWUJCRSA-N 423.575 3.781 0 1 HHAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C=C(C)CCC=C(C)CC[C@H]1C(C)=O)OC(=O)[C@H]2CN(C)C 2356688228 SDLMMRKLTDNPHW-XZCBWCRCSA-N 419.562 3.699 0 1 HHAF Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 12429568 CMTYBHNKMVCODM-HXUWFJFHSA-N 411.546 3.878 0 3 HHAF CCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(C)Cc1nccs1 61902528 HPYHQHDQNZYXIM-UHFFFAOYSA-N 411.556 3.981 0 3 HHAF Cc1ccc2c(c1)-n1c(nc3ccc(C)cc3c1=O)[C@@H](Cc1ccc(O)cc1)NC2=O 61949246 XYLBWILEQDPZRY-OAQYLSRUSA-N 411.461 3.735 0 3 HHAF O=C(CCCCCCCCCCc1ccccc1)OC[C@@H](O)COP(=O)(O)O 1911583472 CGTOCEWXFQQKET-LJQANCHMSA-N 416.451 3.753 0 1 HHAF NCc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)O)cc4)nocc2-3)cc1 28569083 IFFRDFVDIMGZEB-UHFFFAOYSA-N 402.406 3.600 0 1 HHAF COc1ccc2nc(NCCCN3CCN(c4ccccc4OC)CC3)ccc2c1 29135511 CLSTUXZWWDGEKC-UHFFFAOYSA-N 406.530 3.876 0 1 HHAF O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 28230573 HZJPRKXAZWAJHP-INIZCTEOSA-N 422.330 3.632 0 1 HHAF O=C(O)CCC=C[C@H](O)[C@@H](O)CCCCCC=C(Br)Br 2356720411 ZFXQBFPZXYPLPE-RYUDHWBXSA-N 414.134 3.711 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3cccnc3[C@@]12c1ccc(Cl)cc1 38334187 XYLQYEMLBGULBO-QFIPXVFZSA-N 407.832 3.687 0 1 HHAF CC(C)C[C@H](NC(=O)c1ccc(N)c(OCCc2c[nH]c3ccccc23)c1)C(=O)O 84670119 CHGBDQQPQMHXMF-FQEVSTJZSA-N 409.486 3.601 0 1 HHAF Cc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)cc1 143371249 IKOMUUXIFVFYJR-UHFFFAOYSA-N 409.453 3.846 0 1 HHAF COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@H]34)cc2)c1 95875598 IAOUQVOLJYGUBM-TWJOJJKGSA-N 406.570 3.997 0 1 HHAF O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3cccc(OCCF)c3C[C@H]2O)CC1 473084625 SUADKCJZCQUARC-FGZHOGPDSA-N 415.480 3.597 0 1 HHAF Cc1ncc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)c1Br 586979190 JMWIEUUPRHERLI-UHFFFAOYSA-N 400.324 3.756 0 1 HHAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833056 FENDHDBESUCKQO-OVWNDWIMSA-N 408.267 3.992 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 587837392 GJUUXDOAVLJKRK-DGIBIBHMSA-N 406.251 3.877 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(I)cccc31)O2 587385640 DWNGKQHBXMHNMO-SFHVURJKSA-N 405.235 3.989 0 1 HHAF CS(=O)(=O)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567732 BNGXDSOUMQXYBQ-NQIIRXRSSA-N 414.410 3.638 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 587125359 DPKWWEIVNGXZTG-WKEGUHRASA-N 401.190 3.891 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 587768144 TWJFKPFOVTXETG-BLVKFPJESA-N 408.315 3.557 0 1 HHAF C[C@@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528365 YCTADDZYQQQGHO-DEOSSOPVSA-N 403.434 3.986 0 1 HHAF FC(F)(F)c1ncc2nc(CCn3ncc4cc(Br)ccc43)nc-2[nH]1 587004136 ZRSKWVPDGSBPPO-UHFFFAOYSA-N 411.185 3.678 0 1 HHAF O=S(=O)(O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914418 HKTAVLNBWXVMPE-UHFFFAOYSA-N 410.407 3.578 0 1 HHAF CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807695 LLJDUQXBAQRQKC-MPBGBICISA-N 422.294 3.938 0 1 HHAF Cc1cc2nc(-c3nccnc3I)[nH]c2cc1Br 587186339 IDIHREZTDMQZRS-UHFFFAOYSA-N 415.032 3.695 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nn2cnnc2c2ccccc12 587869973 RJOXSJRVSMBJFF-UHFFFAOYSA-N 411.347 3.553 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(I)cc3)c(O)c2c1 587650293 JACBYGBVQKMWFZ-UHFFFAOYSA-N 413.236 3.549 0 1 HHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586881875 YSRPUKCLAAXULZ-UHFFFAOYSA-N 407.451 3.551 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428915 NGMGDEFJKRWYNV-NPPFBWRTSA-N 409.482 3.947 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@H](C1(C)COC1)N2C(=O)OC(C)(C)C 962703183 FWXPVKKOPHFNKK-HTAPYJJXSA-N 405.466 3.555 0 1 HHAF NC(=O)N1CCc2sccc2[C@@]12c1cccc3c1N(CC3)C(=O)[C@@H]2c1ccccc1 962703660 DTGNTEQWCWKXQN-RDPSFJRHSA-N 415.518 3.615 0 1 HHAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772592652 QFMHZXJZAJVBFJ-LBEHMCEESA-N 418.481 3.763 0 1 HHAF C/C(=C\[C@@H](C)Cc1ccccc1)CCCCC[C@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 13368360 NLNJIEVMUWDLAZ-OEQXPUOQSA-N 420.502 3.753 0 1 HHAF Cc1ccc(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 201467033 QJNWPHOXGBKSAD-LJQANCHMSA-N 409.511 3.643 0 3 HHAF COc1ccc(OC)c(CN2C(=O)CCCC[C@@]2(C)c2nnnn2C2CCCC2)c1 203465550 LQSGCUZBXDYXRD-QFIPXVFZSA-N 413.522 3.623 0 3 HHAF CCc1ccc(C(=O)Nc2cccc3nn4c(C5CCNCC5)cc(O)nc4c23)cc1 1857578956 MWXMMQHIOBMXTH-UHFFFAOYSA-N 415.497 3.870 0 1 HHAF C=CC(=O)N1CC[C@@H](n2cc(-c3cc4cccc(OC)c4s3)c3c(N)ncnc32)C1 1857608562 QWGUTUKCPRERRM-CQSZACIVSA-N 419.510 3.863 0 1 HHAF CCOC(=O)C1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 13553824 CYQSUFHVJOYMJB-HXUWFJFHSA-N 400.427 3.801 0 1 HHAF NC(=O)c1cccc(Nc2nccc(Nc3cc(O)ccc3Br)n2)c1 28950523 RQCALQIWVOZDDF-UHFFFAOYSA-N 400.236 3.531 0 1 HHAF COc1cc(C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)[C@@]3(C)I)ccc1O 29051696 KMCWFSRJAGUCQK-WPUCRFQZSA-N 416.255 3.940 0 1 HHAF CC(C)C(=O)Nc1cccc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1 38279786 KTKAUYATGKDLDA-NRFANRHFSA-N 400.544 3.743 0 1 HHAF CCN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 82141563 ADTWXADFBCAHMS-UHFFFAOYSA-N 408.433 3.715 0 1 HHAF O=C(Cc1cccnc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 84671011 NBCJLBREZDSSBC-UHFFFAOYSA-N 400.526 3.628 0 1 HHAF Clc1ccccc1-c1n[nH]c(SCCCN2CCN(c3ccccn3)CC2)n1 96934124 QOWXITSDHNASHV-UHFFFAOYSA-N 414.966 3.825 0 1 HHAF COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC(C)=O)c(OC)c4)OC[C@H]23)cc1OC 143154909 FGPFMACOBGPDPV-ZCVTWQBDSA-N 414.454 3.713 0 1 HHAF biogenic,in-vitro O=C1NC[C@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccc(F)c1)CC2 169361912 VTESATXDAMBSLY-JQYIIUTOSA-N 422.544 3.952 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC(C)(C)C 195144055 YNMRJIMLEOQFSB-GSEOLPGOSA-N 402.487 3.711 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587042186 JBKJQZHSRROWLZ-QMMMGPOBSA-N 403.733 3.994 0 1 HHAF Cc1cc(-c2nc3c(O)ncnc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587062061 RCWRBFOPROHEJQ-UHFFFAOYSA-N 405.849 3.789 0 1 HHAF COC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1OC 587123121 GSCBMPUGZPXJDV-PRHODGIISA-N 409.368 3.529 0 1 HHAF Nc1ccnc2[nH]c(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc12 587170390 AVDCUVLBGGWMDD-UHFFFAOYSA-N 417.853 3.800 0 1 HHAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587203872 PDRJIUHFJUYKJV-UHFFFAOYSA-N 405.458 3.965 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cnc(N)nc4)c3)nc2c1 587254575 NVQOARRPUKDKGM-UHFFFAOYSA-N 424.258 3.818 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C[C@H](NC(=O)C(F)(F)F)c4ccsc41)[C@@H](C2)C3=O 587420840 MHKWMOPNSYKCFM-PZROIBLQSA-N 409.385 3.523 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(I)cc1)[C@@H](C2)C3=O 587429413 VAFRRIRSGPFSOD-KSSFIOAISA-N 406.219 3.963 0 1 HHAF O=C1C[C@@]2(CCNC(=O)c3[nH]c(Br)cc32)Oc2c1ccc1c2CCCC1 587497212 LTZLKXMMUMMPHJ-HXUWFJFHSA-N 415.287 3.650 0 1 HHAF C[C@@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613614 OEHKFMFQCLFLTR-AVRDEDQJSA-N 406.463 3.925 0 1 HHAF O=C(c1cc(-c2cc[nH]c2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658265 NHQCODGCSZBVGB-UHFFFAOYSA-N 417.375 3.748 0 1 HHAF COC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587724311 GTLKZEGHDQYAON-YYSFKGJASA-N 414.221 3.817 0 1 HHAF CCn1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587761663 BUVAARMJADTOSP-AWYQIVDJSA-N 407.331 3.658 0 1 HHAF COc1ccc2c(c1OC)[C@]1(C(C(=O)O)=CN(C)c3c(C)cc(C)cc31)N(C)[C@H](C)C2 962635587 MABQBSBNUVMNFY-CPJLOUKISA-N 422.525 3.859 0 1 HHAF FC(F)(F)[C@H]1CN(Cc2ccccc2)CC[C@@]12NCCc1nc3ccccn3c12 962991389 VJIVGGSXHNTSQK-GHTZIAJQSA-N 400.448 3.760 0 1 HHAF CCCc1ccc([C@]2(c3ccccn3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963524261 KQDBMSDNUPEIBG-NBGIEHNGSA-N 402.494 3.939 0 1 HHAF CCc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O 1772578680 FBJQAQFTYRIACA-UHFFFAOYSA-N 418.545 3.622 0 1 HHAF CC(C)(Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)n1)C(=O)O 1857647956 FFAAEZPNESRLLN-UHFFFAOYSA-N 421.375 3.676 0 1 HHAF COc1cc(O)c([C@H](O)[C@H](C)[C@@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC 2356562276 SRXKZHVLEVEYFU-OSRJUQGESA-N 406.475 3.681 0 1 HHAF O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)C=Cc2ccccc2)C=CCCN1 2356608312 KPKZFSIYSKUMNN-QHCPKHFHSA-N 403.526 3.673 0 1 HHAF COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 36384246 DNPRPWCWZAGYFL-SCLBCKFNSA-N 402.397 3.631 0 3 HHAF COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc3ccccc3c2Br)C1 61903283 XSOIVFHMYYLLFZ-NRFANRHFSA-N 419.363 3.967 0 3 HHAF COc1cc(C[S@@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)ncc1C 13452073 KMQCJGDGVGUJBP-NDEPHWFRSA-N 417.384 3.819 0 1 HHAF O=C(OCCCc1ccccc1)[C@@H]1[C@H]2CC[C@H](C2)N1S(=O)(=O)Cc1ccccc1 13554303 DHPUHTCQTDVDKE-BDTNDASRSA-N 413.539 3.545 0 1 HHAF CS(=O)(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCC3)C2CC2)c1 13761608 RODMNTVWOFGHQY-SFHVURJKSA-N 403.500 3.528 0 1 HHAF O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ncc(Cl)cn2)CC1 28711640 FEAAZFFFIOUJCT-UHFFFAOYSA-N 415.271 3.657 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1CN2c1ccc(C(=O)Nc2ccccc2N)cn1 28824512 GYINZFUSDQBGNV-IAGOWNOFSA-N 423.517 3.504 0 1 HHAF Cc1sc(NC(=O)CN(C(=O)Nc2ccccc2)C2CCCC2)c(C(N)=O)c1C 40010062 FRJNOUIAULAUDR-UHFFFAOYSA-N 414.531 3.879 0 1 HHAF CC(C)(C)c1ccc(CNC(=O)c2cc(CNC3CCC(N)CC3)ccc2O)cc1 45186673 SWVOCBLLYBVXDB-UHFFFAOYSA-N 409.574 3.979 0 1 HHAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2ccc(-c3ccccc3)cc2c1=O 71334530 FRGFJWIJQIKMDM-FQEVSTJZSA-N 404.422 3.651 0 1 HHAF O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1cccc2c1OCO2)c1ccccc1 72177136 HFQZVZZRDLTUPV-HNENSFHCSA-N 412.873 3.765 0 1 HHAF Cc1ccc(Nc2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c(C)c1 73222384 UUSLZUHXZFKMJB-UHFFFAOYSA-N 404.474 3.840 0 1 HHAF COCCn1c(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc2ccccc21 117586297 WYUGRYKERMMYHH-UHFFFAOYSA-N 422.529 3.799 0 1 HHAF COc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(F)nc4)cc3)cc2c1 203654370 PTHGJGJQBDBZRX-UHFFFAOYSA-N 411.458 3.856 0 1 HHAF O=C(O)CCCCC(=O)N1CCc2c(n(Cc3cccc(F)c3)c3ncccc23)C1 218266548 DJNNANGRROWQRL-UHFFFAOYSA-N 409.461 3.753 0 1 HHAF Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc3nnn(C)c3n1)C2=O 220281561 DDIGBXFXYQBMSG-GOSISDBHSA-N 419.876 3.606 0 1 HHAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 253803509 DPRKRTXBKMPZFO-SAZUREKKSA-N 423.579 3.958 0 1 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3)c(C)c2c1 299811706 TWGHXVKHVUGVCO-ZILRXWIYSA-N 410.466 3.648 0 1 HHAF CC(C)=CCN1C(=O)N(Cc2cccc(Br)c2)S(=O)(=O)n2cccc21 473082871 LLAFWHWAAUFVKU-UHFFFAOYSA-N 424.320 3.752 0 1 HHAF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccc4cccnc34)CC2)C1=O 473097172 DCHNKZIOSXFHDF-UHFFFAOYSA-N 408.546 3.900 0 1 HHAF COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4cc(C)ccn4)cc3)CC2)c1 473112053 CNUQKCFZQUWMFJ-UHFFFAOYSA-N 415.493 3.664 0 1 HHAF Cc1nn(C)c(C)c1S(=O)(=O)NCCCN1c2ccccc2CCc2ccccc21 473134459 CORVFOCXDFQJNL-UHFFFAOYSA-N 424.570 3.642 0 1 HHAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4C[C@]5(C)CN(C)C[C@](C)(C4)C5)[C@@H]3C=C12 504617088 FIPCGZHKEIMIJW-CAKQFUPUSA-N 400.607 3.964 0 1 HHAF biogenic c1cc2c(cc1-c1nnc(SCc3nc4cc5c(cc4[nH]3)OCCCO5)o1)OCO2 586969248 JFUQFZNRJXMOEE-UHFFFAOYSA-N 424.438 3.795 0 1 HHAF COC(=O)c1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1OC 587120325 YGYKPQYYYSIXSO-UHFFFAOYSA-N 408.380 3.501 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3c(Br)ccnc3[nH]2)CCC(=O)CC1 587234982 BTCUFFIYPJJJIH-UHFFFAOYSA-N 409.284 3.584 0 1 HHAF N[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C1CC1 587255686 NCXLXDNJTWUTCC-MRXNPFEDSA-N 410.421 3.792 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cc4nc(N)oc14)[C@@H](C2)C3=O 587417430 KLDMQKWFRGGDRM-WLRWDXFRSA-N 415.243 3.844 0 1 HHAF Nc1ncc(I)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506958 PGGABBSVKFSPHN-INIZCTEOSA-N 420.250 3.854 0 1 HHAF COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628141 OSWARNSPYZDMJJ-UHFFFAOYSA-N 419.281 3.962 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nn2)N1 587756363 DGAMNDUMQBJTJW-BLVKFPJESA-N 401.283 3.852 0 1 HHAF COC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795765 RMPGXCSWYQOWKR-WYRIXSBYSA-N 408.267 3.764 0 1 HHAF CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832789 CXVORFWHCDPKGV-BUXKBTBVSA-N 414.315 3.698 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587836826 XSBHTGWLSAQHKG-XYZCENFISA-N 422.250 3.777 0 1 HHAF CC(=O)Oc1cccc([C@@]2(c3ccco3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963022332 IQEQQFKNCIZIMO-UPCLLVRISA-N 402.450 3.550 0 1 HHAF O=C(O)c1ccc(Nc2cc3nc(-c4ccc(C(F)(F)F)nc4)[nH]c3cn2)nc1 1857762813 DMVSKJOFHKVIFW-UHFFFAOYSA-N 400.320 3.876 0 1 HHAF C[C@H]1[C@@H]2CC[C@@]3(O[C@]14OC(C)(C)[C@H](C)[C@@H]4O)c1ccc(O)c(CO)c1C=C[C@@]23C 2356480655 LIQMFAHYIGAEHK-SASLKZCXSA-N 400.515 3.691 0 1 HHAF COC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O 4660619 YQIIAANJRSWZQD-LJAQVGFWSA-N 409.438 3.939 0 3 HHAF COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c(OC)c1OC 769103 PLTZHPQCZMQOJZ-AEFFLSMTSA-N 418.877 3.546 0 1 HHAF COc1cc([C@H]2c3c(ccc4ccccc34)C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1O 1654641 PWASRHCIRUXQDB-JTSKRJEESA-N 403.434 3.839 0 1 HHAF O=C(Cc1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1)NC[C@H]1CCCO1 6900990 ZQEMMMDCMVWTLU-OAQYLSRUSA-N 412.493 3.925 0 1 HHAF C[C@H]1Cc2cccc3c2N1C(=O)[C@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 22927106 DGUCYPDNCXXCGB-HTAPYJJXSA-N 409.961 3.750 0 1 HHAF CNC(=O)C1(NC(=O)CCCOc2ccc(Cl)cc2Cl)Cc2ccccc2C1 26382695 REMXZVIVDDBBOE-UHFFFAOYSA-N 421.324 3.552 0 1 HHAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2noc3cc(F)ccc23)CC1 26494494 LIWHOEWNGHFGGB-NRFANRHFSA-N 421.472 3.859 0 1 HHAF N=C(N)c1cccc(N2CCCCN(C3CCN(CCc4ccccc4)CC3)C2=O)c1 26833661 WVVCKIYKSADBGG-UHFFFAOYSA-N 419.573 3.700 0 1 HHAF C[C@@H](O)[C@H](CO)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28526001 LORFCRZQKHJHLR-MWTRTKDXSA-N 409.505 3.804 0 1 HHAF Cn1nc(-c2ccccc2)c(C=C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1=O 28825818 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209363249 BADQWUZZFBYSLZ-SNVBAGLBSA-N 409.475 3.676 0 1 HHAF O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 261147787 OFLQLZVOIWKDDT-XFHMXUHZSA-N 400.429 3.542 0 1 HHAF O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3cccnc3)n2)CC1 473160657 YZUFINZWPAZMMI-UHFFFAOYSA-N 405.454 3.603 0 1 HHAF C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1cccc(O)c1)c1ccccc1 584905209 FYIWCUFRBHMEBW-SBUREZEXSA-N 420.484 3.679 0 1 HHAF in-vitro Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 586944907 QNXCRMNNGNYWDY-UHFFFAOYSA-N 412.309 3.560 0 1 HHAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(F)cc3[nH]2)c1 586951445 OEAACMJPMDVTNV-UHFFFAOYSA-N 410.268 3.572 0 1 HHAF CCOC(=O)C(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990421 XLVGHKUSQRFSOO-HNNXBMFYSA-N 401.418 3.704 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 587125300 DFNRAVXSGXHKHD-RCOVLWMOSA-N 401.190 3.891 0 1 HHAF CC1(C)Cc2nc(N)ncc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587332199 FPDXQNZGCWWZAH-GBXCKJPGSA-N 419.456 4.130 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2ccccc21 587412691 OAOUKOXXWHZMLW-URXFXBBRSA-N 401.418 3.846 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCCS3(=O)=O)cc1)CC2=O 587493643 UDJBCEIRTHEYPM-JOCHJYFZSA-N 415.511 3.765 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c[nH]c2ccccc12 587592999 ZUOVGEOZMBHIFK-XXBNENTESA-N 401.374 3.815 0 1 HHAF CCOc1ccc(-c2nn(Cc3ncccn3)c(=O)c3ccccc23)cc1OCC 587670361 VRGSDEXRZHXZDV-UHFFFAOYSA-N 402.454 3.699 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)nc2)N1 587766572 OAFUJHSVNLPKSI-KZULUSFZSA-N 405.315 3.992 0 1 HHAF COc1ccccc1C(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642406 ZRJAWBFHFWWSHP-OXJNMPFZSA-N 423.387 3.681 0 1 HHAF CCn1cc(C(=O)C[C@]2(C(F)(F)F)NCCc3cnc4c(OC)cccc4c32)cn1 963049278 BPMJLNAJNPCFMK-FQEVSTJZSA-N 418.419 3.636 0 1 HHAF CCOc1ccc([C@]2(c3ccnc(C)c3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963471368 NXFQUXOOPLRMEA-WIOPSUGQSA-N 418.493 3.694 0 1 HHAF CN1CCN(CCNc2nc(Nc3ccc(Cl)c(F)c3)nc3ccccc23)CC1 1772615499 GJHWKYGXARLYTQ-UHFFFAOYSA-N 414.916 3.825 0 1 HHAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCN(c4cccc(F)c4)CC3)c2)cc1 1857637615 HEZVYNJVGLSNSY-UHFFFAOYSA-N 419.456 3.679 0 1 HHAF COc1cc(C=Cc2ccc(OC)c(OC(C)=O)c2OC(C)=O)cc(OC)c1OC 2356333842 WKBAIQKBJAZKOF-UHFFFAOYSA-N 416.426 3.742 0 1 HHAF COc1cc(-c2noc(C)c2C(=O)NCCc2cccs2)cc(OC)c1OC 61969115 XOBIOMJVJNLSSA-UHFFFAOYSA-N 402.472 3.710 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NC[C@H](O)CC 767996 BMSXVYQZQMJYNS-BSIFCXSSSA-N 416.905 3.718 0 1 HHAF COc1cc(OC)c([C@H]2C[C@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC 2914305 JFVYYFJOFRZNJW-HZPDHXFCSA-N 400.866 3.756 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](C)CN(C)C 4206258 ZRLZOHUMELFOGC-RFVSGWPVSA-N 415.921 3.507 0 1 HHAF COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC 5070743 AAXQPCFRALRWMH-IBGZPJMESA-N 412.530 3.840 0 1 HHAF COc1cccc(C(=O)OC[C@@]2(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O2)c1 13704140 LPMUMWAFCAHQNA-UOQNSFNTSA-N 404.503 3.775 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccccc1 40866704 OCZZLQJGEUJKRT-RTBURBONSA-N 405.523 3.638 0 1 HHAF CCn1cc(-c2nc3ccccc3s2)c(=O)c2cc(F)c(N3CCNCC3)cc21 43068173 DMOOEJODZUDRHO-UHFFFAOYSA-N 408.502 3.847 0 1 HHAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H]1N=C(/C=C/c2ccccc2)O[C@@H]1c1ccccc1 72113718 IOIJWZFJSPLOBN-KLKQSRGKSA-N 403.434 3.652 0 1 HHAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2)cs1 82195374 DXYPLGABSDLEDV-INIZCTEOSA-N 409.577 3.505 0 1 HHAF CN(C)Cc1ccccc1N(C)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21 84741498 KTGFLRHSKZPLTM-UHFFFAOYSA-N 415.493 3.986 0 1 HHAF COc1ccc2c(c1)[C@H](c1ccccc1)N(S(=O)(=O)c1ccc(C(=O)O)cc1)CC2 115731104 YKKCPJNAHCFTDC-QFIPXVFZSA-N 423.490 3.730 0 1 HHAF NS(=O)(=O)c1ccc(CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 586929765 JFDGOHCCXMXXDE-UHFFFAOYSA-N 401.435 3.607 0 1 HHAF Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 587184727 UZSNAKBISQHAGU-NSHDSACASA-N 412.662 3.767 0 1 HHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587200957 CGNXMFWRLBHFAK-UHFFFAOYSA-N 416.566 3.976 0 1 HHAF O=C(O)[C@H](c1ccc(Cl)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 587369260 XLAFLOGMQSTZPM-MRXNPFEDSA-N 407.813 3.973 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587433743 VSEDQVCKFXMQTL-DFBJGRDBSA-N 417.461 3.986 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587454534 YDKFUPYGMCHXNM-QMHKHESXSA-N 404.491 3.914 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](N=O)C(=O)Nc1ccccc1OC)CC2=O 587467646 BKTZMZSGMZYJIY-RBBKRZOGSA-N 412.442 3.851 0 1 HHAF COc1ccc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587581862 XMGBGZZOXVUPTL-AUSIDOKSSA-N 407.422 3.869 0 1 HHAF C[C@H](Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(=O)O 587594420 KVDNXBYXSMIYGR-VCHGGQOGSA-N 406.390 3.947 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1N1CCOCC1 587595137 OVBKFVMURPNFGP-XUZZJYLKSA-N 403.434 3.932 0 1 HHAF C[C@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596117 QWMMJDCOMINKIP-GBXCKJPGSA-N 416.433 3.799 0 1 HHAF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2c1c(Br)cc1n[nH]cc12 587623607 XZGUVLBWPMKTCD-UHFFFAOYSA-N 402.252 3.692 0 1 HHAF CCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625679 LSAPGBWWOGREKF-NSHDSACASA-N 422.325 3.742 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cn2)N1 587682916 MFGYJKRTXJUZSM-FUXBKTLASA-N 401.077 3.764 0 1 HHAF COC(=O)CCn1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587755998 IZSXERUBMBTENH-OVWNDWIMSA-N 424.314 3.588 0 1 HHAF COC(=O)COc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587789418 BVZNVMQAOLDXFD-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587820580 APWBUFKLRNMJOT-ODXCJYRJSA-N 420.278 3.718 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCc2nncn2C1 587859707 KSBOSFVUIWCJAF-NSHDSACASA-N 406.273 3.750 0 1 HHAF COc1ccc2c(c1)[C@](c1cccc(CN3CCN(C)CC3)c1)(C1CC1)N[C@@H]1CC[C@@H]21 962991622 DOBUVOTXKMSYTF-WYMJOSIYSA-N 417.597 3.945 0 1 HHAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963029268 NHFRNSUWKXMYQL-TWWFPWMWSA-N 412.917 3.640 0 1 HHAF c1ccc2c(c1)ncn2-c1cc(Nc2ccc(OCCN3CCCCC3)cn2)ncn1 1772590116 QLQYWGHSSLXLOS-UHFFFAOYSA-N 415.501 3.819 0 1 HHAF Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](O)CC[C@@H]12 1772617046 PYHASHNOJJFSLI-FFOCVCMNSA-N 406.526 3.830 0 1 HHAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cc5ccccc5[nH]4)c(=O)n1c23 1857569466 FPEOUHCOUFKRFL-GFCCVEGCSA-N 405.429 3.765 0 1 HHAF NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc([C@@H](O)CO)ccc23)c1 1857619426 FHNNKMFSZKCXQN-FQEVSTJZSA-N 404.482 3.523 0 1 HHAF CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN(C)Cc1ccccc1 4034759 ZWUMMSXTXIMIJE-UHFFFAOYSA-N 420.509 3.993 0 3 HHAF CC1(C)Cc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C(C)(C)N1 4275268 KJEBJPRPPXAEJW-UHFFFAOYSA-N 414.556 3.868 0 3 HHAF CC[C@H](C)N(CCNC(=O)C[C@@H]1Oc2ccc(C)cc2NC1=O)C1CCCCC1 13131287 UQEQFXDUZFOSKU-UWJYYQICSA-N 401.551 3.634 0 3 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 4545979 GLFTVHAVDQJJPP-CEWLAPEOSA-N 412.530 3.817 0 1 HHAF CCN(C(=O)C1=CCCC[C@@H]1C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1C 13493954 BJJBFGZBMMQQPE-FQEVSTJZSA-N 418.541 3.675 0 1 HHAF CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 13601720 LORMCGPDRBOOEU-XMMPIXPASA-N 422.488 3.748 0 1 HHAF CCCN1CC(=O)N2[C@@H](c3ccccc3OCC)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15955187 NLIVGYDSGGYDFC-YKSBVNFPSA-N 417.509 3.662 0 1 HHAF biogenic CC[C@@H](OCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)O 26659728 ZYCDTLDJCVKZJG-FGZHOGPDSA-N 416.949 3.927 0 1 HHAF COCn1cc([C@@](O)(C(=O)O)C(F)(F)F)c2ccc(OCc3ccccc3)cc21 28961334 TUQUULVRWWBLTM-LJQANCHMSA-N 409.360 3.659 0 1 HHAF COc1ccccc1C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 33819225 ROJAMGATLCODGT-OAQYLSRUSA-N 419.868 3.894 0 1 HHAF COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)COC3=O)c1 40943456 NWOUUVJCKIKPIW-IBGZPJMESA-N 409.438 3.827 0 1 HHAF COc1ccccc1-c1ccc(Cn2cc(C(=O)O)c(=O)c3c2CCC[C@H]3O)cc1 49124589 VYHJCMGLXSKKNJ-HXUWFJFHSA-N 405.450 3.640 0 1 HHAF CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 64448100 GZYYNOYMYXMJLB-JOCHJYFZSA-N 415.497 3.853 0 1 HHAF O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 95893467 NSGZVCKDNQQOKI-OYRHQHFDSA-N 418.537 3.512 0 1 HHAF O=C(c1ccc[n+](Cc2ccc(F)cc2)c1)N1CCN(c2ccccc2Cl)CC1 103273928 KIANLQCPXOOESJ-UHFFFAOYSA-N 410.900 3.777 0 1 HHAF Cc1cccc2nc([C@@H](C)Nc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)c(=O)n12 114790145 UAFJYRXPRSODCX-CYBMUJFWSA-N 415.432 3.648 0 1 HHAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc(Cl)c(F)c1 144888578 JHIUSYBBQGEJOA-UHFFFAOYSA-N 414.868 3.737 0 1 HHAF COc1cccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)c1 167111530 XHDVJJAVDRSWRU-UHFFFAOYSA-N 402.454 3.568 0 1 HHAF C[C@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\[C@H](O)/C=C/C/C=C/C=C\C(=O)O1 238762653 JIYRVNYCTITQSJ-CXDSUJQBSA-N 402.531 3.692 0 1 HHAF COc1cc(OC)c2[nH]c([C@H](Cc3ccc(Br)cc3)NC(C)=O)nc2c1 586983809 CNXZDQRRFZZFPG-INIZCTEOSA-N 418.291 3.763 0 1 HHAF COc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1 587149424 SAKSFLKVXIUZLN-UHFFFAOYSA-N 417.609 3.954 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](COC1CCN(C(=O)OCc3ccccc3)CC1)O2 587393353 GXUMTSRJHKOMBD-IBGZPJMESA-N 424.497 3.729 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(OC)nc1C)[C@@H](C2)C3=O 587411930 GICNEFKYVGPXFP-ORAYPTAESA-N 404.260 3.833 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(OC)cncc1C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587433528 SAYVEAINWPQJPS-HJPURHCSSA-N 416.433 3.840 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O 587449412 AGQDPYICYXUACW-WVFSVQOHSA-N 418.474 3.721 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(Br)cc21 587457504 JEJDYRNIAOAHHA-LJQANCHMSA-N 402.244 3.920 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CCN3CCOCC3)c1C)CC2=O 587468641 AFSHCZGCPMAKBE-QHCPKHFHSA-N 412.530 3.802 0 1 HHAF Cn1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587546002 NHCMKWIAVBYOHH-RDTXWAMCSA-N 401.216 3.591 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)[C@@H]1CCCNC1 587591883 FLRBLRIAPRMVCD-FBJLLXQBSA-N 402.450 3.644 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccccc32)N1 587844788 PBCUPVGQZGNBHH-ADLMAVQZSA-N 410.308 3.543 0 1 HHAF CCOC(=O)C(C)(C)C[C@@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901584 QXJBBRBWGDSSTM-CVDCTZTESA-N 417.452 3.787 0 1 HHAF CCOC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3c(OC)ccc(OC)c32)o1 963635370 MDVHMCNUQSAZRH-JEOXALJRSA-N 413.392 3.814 0 1 HHAF CN1CCCN(c2ccc(-c3ccc4c(N=c5cncc[nH]5)ccnc4c3)cc2)CC1 1857562221 UOAOQOCIKNDUIJ-UHFFFAOYSA-N 410.525 3.999 0 1 HHAF COc1cc(C(=O)OC[C@H](C)[C@@H]2CC[C@@]3(C)C[C@H](O)[C@@]4(C)CC[C@@]23O4)ccc1O 2356619209 XHMSSIXKMBPWCK-HKGBCZCVSA-N 404.503 3.683 0 1 HHAF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCN3C=C4C=CN=C4C3)c2)CC1 2356832103 JTQNWRVSGJOKOY-YJLYGGOZSA-N 422.525 3.751 0 1 HHAF CCOc1ccc(CCNC(=O)c2oc3c(c2C)-c2n[nH]cc2CC3)cc1OCC 4586081 BRXUJTWLCXWMNW-UHFFFAOYSA-N 409.486 3.847 0 3 HHAF O=C(O)/C=C/c1ccc(C(=O)N[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 26747431 HYYNRMBADINPGB-FOYQMUPJSA-N 406.482 3.704 0 1 HHAF O[C@@H](CNCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 28959030 FVZJCHVJRCLDEM-QFIPXVFZSA-N 418.522 3.969 0 1 HHAF COc1ccccc1NC(=O)N1N=C(C)N(C(=O)Nc2ccccc2OC)N=C1C 40791375 NQRNQMGUPGAASM-UHFFFAOYSA-N 410.434 3.752 0 1 HHAF CCN(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1 58581779 UJKGBCQEPVZELY-UHFFFAOYSA-N 409.555 3.807 0 1 HHAF CCc1oc(=O)c(Cc2c(O)c(C(C)=O)c(O)c3c2OC(C)(C)CC3)c(O)c1C 60274307 VAHYIAJNXUYRCA-UHFFFAOYSA-N 402.443 3.524 0 1 HHAF biogenic CCOC(=O)CN1C(=O)[C@@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2ccccc21 66123532 ZLEYVJQFPLOJRX-CJFMBICVSA-N 421.493 3.996 0 1 HHAF CN1CCN(CCc2ccc(Nc3nccc(-c4c[nH]c5ncccc45)n3)cc2)CC1 72175453 BTJITFMVUQWQSQ-UHFFFAOYSA-N 413.529 3.553 0 1 HHAF COc1cc2nc(N3CCCN(C)CC3)nc(NCC3CCCCC3)c2cc1OC 82125412 UHLSELGNNUJSNB-UHFFFAOYSA-N 413.566 3.781 0 1 HHAF COc1cc2nc(N3CCOCC3)nc(NCc3ccccc3Cl)c2cc1OC 82132010 JOQGYTYVCJDNAY-UHFFFAOYSA-N 414.893 3.749 0 1 HHAF O=C(COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 100624150 NUKMQEGPLUMHGV-DPFVXDSPSA-N 417.436 3.645 0 1 HHAF CN(C)C[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1 144072947 COBZZNVRTKQJFM-FQEVSTJZSA-N 406.534 3.524 0 1 HHAF COc1cc2c(cc1OC)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711673 MCLCOVRVGCRKDR-UHFFFAOYSA-N 419.460 3.819 0 1 HHAF O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727236 GYYHVMFYWXLBJF-GMAHTHKFSA-N 404.510 3.989 0 1 HHAF CCCC[C@H](NC(=O)O[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 253638199 HMVXEHSUUNUEBL-XIHRTOKZSA-N 400.519 3.907 0 1 HHAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 299875598 DEOCSBSDPUVFFT-QKNQBKEWSA-N 410.857 3.875 0 1 HHAF COc1ccc2c(C)c(CCc3nc4cc(F)cc(C(=O)O)c4[nH]3)c(=O)oc2c1C 586919280 YWHHSUCKZNRGDV-UHFFFAOYSA-N 410.401 3.917 0 1 HHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 586947699 BAWSWGFTWDVEIA-UHFFFAOYSA-N 410.293 3.848 0 1 HHAF Clc1cnn(COc2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 587082846 XYWHHILBIWQBAY-UHFFFAOYSA-N 405.643 3.620 0 1 HHAF O=C(O)[C@@H](c1cccc(Cl)c1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 587368558 LONTVXXRRCNAAT-INIZCTEOSA-N 407.813 3.973 0 1 HHAF CCCOc1ccccc1[C@@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581706 XBVQPSWZQRUNMD-XUZZJYLKSA-N 405.450 3.997 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 587723988 DAGBYECLPDGRQD-CQLKUDPESA-N 400.194 3.729 0 1 HHAF CCOCCOc1ccc(Br)cc1[C@H]1NCCc2c1c(C(C)C)nn2C 962913154 BJPMVPUWXYFKFR-HXUWFJFHSA-N 422.367 3.956 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCN(C(=O)OC(C)(C)C)c3ccccc31)NCC2 962923768 JXEQBFZBZIFMMW-RUZDIDTESA-N 421.541 3.923 0 1 HHAF COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1ccco1)C3 1772656737 UIEKAGBLUQVLQJ-MRXNPFEDSA-N 421.522 3.755 0 1 HHAF COC(=O)c1cc2nc(SCC(=O)Nc3cccc(Cl)n3)[nH]c2cc1Cl 1857578977 CHJGTADTLMDYEX-UHFFFAOYSA-N 411.270 3.782 0 1 HHAF O[C@@](CN(Cc1ccc(Cl)cc1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F 1857580780 MSEZFLGBTITGQW-NRFANRHFSA-N 418.875 3.762 0 1 HHAF COc1cc(C(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc(OC)c1OC 1380326 PAGDHDDCKGBWQO-UHFFFAOYSA-N 413.449 3.679 0 3 HHAF COc1cccc(Cn2c3ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc3c(=O)n2C)c1 61896107 JGCWCNYJHRJYPE-CYBMUJFWSA-N 421.419 3.924 0 3 HHAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)[C@H](N)CCCCN 254071127 QCJMDCQDWLPFLZ-AOLNJJJESA-N 420.638 3.758 0 3 HHAF CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCO 4212812 JGPOVKXZTWAZQD-DLBZAZTESA-N 415.303 3.711 0 1 HHAF CS(=O)(=O)Nc1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1 4257439 RZGCHLZFOWWWRO-UHFFFAOYSA-N 405.483 3.675 0 1 HHAF CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(OC)cc2)cc1 13490301 QHPIGRYLFNRDAQ-QFIPXVFZSA-N 411.546 3.630 0 1 HHAF COc1ccc(NC(=O)CC(C)(C)c2c(OC)cc(OC)cc2OC(C)=O)cc1 27084484 KVQHNHAODSSFQG-UHFFFAOYSA-N 401.459 3.944 0 1 HHAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(Cc2nc3ccccc3[nH]2)CC1 27984578 PJMLMSSFEXZTGV-UHFFFAOYSA-N 420.513 3.514 0 1 HHAF COc1ccc(Cc2cc(C3CCN(C(=O)Cc4ccccc4)CC3)nc(N)n2)cc1 28761425 QEINQNZMLFLUCR-UHFFFAOYSA-N 416.525 3.607 0 1 HHAF Cc1cc(C)c(NS(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 40422349 DWARPPUDJXEVIK-UHFFFAOYSA-N 416.524 3.905 0 1 HHAF CCCC[C@H](CC)C(=O)N1CCN([C@H](CC)c2nc3ccccc3c(=O)n2C)CC1 45316283 ASFVPGNJHYYIMU-GHTZIAJQSA-N 412.578 3.745 0 1 HHAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@H]1C(=O)N1CCCCC1 72113131 GADIGRPXFZSBKU-HXUWFJFHSA-N 406.482 3.576 0 1 HHAF C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73224048 RTCONTPQCAAPGB-LLVKDONJSA-N 418.412 3.636 0 1 HHAF NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12 95598118 NPBKDBFOJULXQY-UHFFFAOYSA-N 408.302 3.626 0 1 HHAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc2ccccc21 117690376 HWYOGDNWFXHSKA-UHFFFAOYSA-N 401.470 3.742 0 1 HHAF COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@]21N=C(N)N(C(C)C)C1=O 141843025 LTMUEZYTIQZCGM-FXLJNVFASA-N 413.562 3.614 0 1 HHAF CCCCCc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 169322265 LYCFHLBMWDSWJD-LJQANCHMSA-N 419.481 3.564 0 1 HHAF CNc1nc(Nc2cc(OC)c(C(=O)NC3CC3)cc2Cl)ncc1C(F)(F)F 169705097 SVGSIDSVUKICPX-UHFFFAOYSA-N 415.803 3.835 0 1 HHAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@H]3[C@H]5[C@@H]4[C@H]31)N2CCCCNc1ccnc2cc(Cl)ccc12 299839894 TXOTZJORBMAIBE-ZDIUFIMGSA-N 407.945 3.841 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)ncc3[nH]2)C(F)(F)C1 587132165 LQSRENISTPULLP-MRVPVSSYSA-N 403.227 3.690 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 587199029 WWMGIMKXCUYPGG-UHFFFAOYSA-N 404.401 3.926 0 1 HHAF COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587238548 DHBZCQPNFRWJDB-HCQWSFJTSA-N 402.495 3.522 0 1 HHAF CN(C)/C=C/[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343388 SEUUUKDLVCWJGY-VMBOGWNUSA-N 407.445 3.595 0 1 HHAF COC(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370556 GBZOZYSLGBUURR-IBGZPJMESA-N 404.260 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc4[nH]c(=N)[nH]c4c1)[C@@H](C2)C3=O 587428831 QONPAKDKPOZBJL-BXKMTCNYSA-N 415.424 3.814 0 1 HHAF CN1CC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587581281 GRBFVWOPXDMRER-NXQMDHLFSA-N 415.445 3.728 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587582615 QFHJYAJBZKUFMB-UTXUYHSBSA-N 419.481 3.849 0 1 HHAF COC(=O)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591880 ICLXDWGTWZJIRH-YKSBVNFPSA-N 404.418 3.898 0 1 HHAF COc1cc(C(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587595280 QWOIYUNUPQJAFU-DENIHFKCSA-N 422.389 3.811 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587745484 WGUQEANLMWXQHK-UYSIFFEZSA-N 421.310 3.725 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 587748367 WPSAOCAMHDVCJT-PWJLMRLQSA-N 406.255 3.944 0 1 HHAF COC(=O)COc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793549 NOEQKNPNCVGCCW-MPBGBICISA-N 422.294 3.938 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 587838599 OIFLOWNOWGEVQB-GIGQVBGESA-N 404.235 3.970 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NS(C)(=O)=O)N1 587842930 WVOPKGHEDKLRNE-BTDLBPIBSA-N 413.312 3.583 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 587870907 UZZIOQAGUGAWNT-OAHLLOKOSA-N 411.408 3.920 0 1 HHAF C[C@H]1CN(c2ccc(C(=N)N)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653737649 OOHQSFLVZSYOOH-SFHVURJKSA-N 405.546 3.513 0 1 HHAF C[C@@]1(CC(=O)Nc2cccnc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958354 PTFWMVWTAXQUFX-FQEVSTJZSA-N 419.447 3.996 0 1 HHAF COC(=O)[C@@H]1CC[C@]2(C1)c1c(C)cccc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963863109 ONPWRFVVWYPUGU-QZMQVMSPSA-N 417.502 3.800 0 1 HHAF COc1ccc(NC(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1 1772627023 ZSDTXQAQHNOURO-UHFFFAOYSA-N 416.441 3.991 0 1 HHAF COc1ccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)cc1 1857549926 IOMBOHIUXYPFPR-UHFFFAOYSA-N 413.481 3.512 0 1 HHAF CN1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@H]21 253979171 DCGILZCLOORGQM-CCKFTAQKSA-N 414.431 3.747 0 3 HHAF CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)n3)c3ccccc3c2=O)cc1 2942791 LQSOISGTURDJSZ-UHFFFAOYSA-N 400.438 3.740 0 1 HHAF CN(C)C[C@H](O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1 13537845 UDJFNUQDJAQEGK-INIZCTEOSA-N 415.444 3.543 0 1 HHAF O=C(O)Cc1nn(Cc2nc3c(ccc4ccccc43)s2)c(=O)c2ccccc12 13860764 HDNSITKLUFXKMH-UHFFFAOYSA-N 401.447 3.835 0 1 HHAF O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2C(=O)CN1C1CC1 16043194 JVXWQZSEGWLWRM-DENIHFKCSA-N 405.885 3.669 0 1 HHAF biogenic Cn1nnc2c(NCC(=O)C(C)(C)C)nc(Cc3ccc(Cl)cc3Cl)nc21 20444117 LLGQQTCZYDGNCC-UHFFFAOYSA-N 407.305 3.683 0 1 HHAF COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CSC1=CCCCC1 27564508 BPNAARDHUSNZPG-CNAXQHPCSA-N 424.603 3.742 0 1 HHAF CN(C)S(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1Cl)=Nc1c[nH]nc1N2 64539640 KWNRFWAMLDHJIJ-UHFFFAOYSA-N 416.894 3.508 0 1 HHAF COc1cc(-c2cnc(N3CC(Oc4ccc([C@H](C)CC(C)=O)cc4)C3)nc2)ccn1 96172966 PEFLTTOSZHXRPL-MRXNPFEDSA-N 418.497 3.897 0 1 HHAF O=C(c1ccccc1F)c1cc(F)ccc1/C=C\OCCN1CCC[C@H](C(=O)O)C1 96923623 YLFLEEKXJUNEEA-GKUQOKNUSA-N 415.436 3.980 0 1 HHAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)c(F)c3)c3c(N)ncnn32)C1 100619107 AVWFRFHMGUSKCK-XLOAEROZSA-N 405.433 3.933 0 1 HHAF CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1 113836304 IVWXFGRLNHCKNV-UHFFFAOYSA-N 405.476 3.502 0 1 HHAF in-vitro COc1ccc(C(C)(C)C)cc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823149 MIUDTRFMDYMLHR-HDICACEKSA-N 408.546 3.608 0 1 HHAF Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1 118208274 GVQJVYUGHWPIPT-UHFFFAOYSA-N 415.900 3.878 0 1 HHAF COc1cnc(C(=O)Nc2cccc([C@@]3(C4CCCCC4)CSC(N)=N3)c2)cn1 139567689 NPHZTQGJWPDARN-NRFANRHFSA-N 411.531 3.575 0 1 HHAF O=C(Nc1ccc(OC2CCN(C(=O)C3CCC3)CC2)nc1)N1Cc2ccccc2C1 167394507 OZAVCTMGBIJYMR-UHFFFAOYSA-N 420.513 3.799 0 1 HHAF CC[C@H](C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 169325574 ZJEVOUZXTOSBOY-ZETCQYMHSA-N 403.070 3.846 0 1 HHAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2cccc(OC)c2)CC3)n1 169702351 VOBXAKFQSHDFHQ-UHFFFAOYSA-N 401.474 3.611 0 1 HHAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C(=O)NC5CC5)c4)c3c2)o1 221758414 YLEPCOMPXJKHRR-UHFFFAOYSA-N 402.458 3.992 0 1 HHAF CC(C)[C@@H](O)C(=O)[C@@H]1[C@@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4 238749777 IBWBDNPARWJKBW-SKCOQCMLSA-N 412.482 3.811 0 1 HHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586918122 WLTCXTUYPLACNQ-OSPHWJPCSA-N 416.481 3.535 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)cc1 586943997 DMRFKPWZWXTXKK-UHFFFAOYSA-N 420.494 3.614 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(C)ccc4[nH]3)cc2)cc1 586944041 FUSWWXUENYRUNB-UHFFFAOYSA-N 420.494 3.614 0 1 HHAF Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cnn1-c1ccccc1 587276607 OTPFCIZHGHRPKR-UHFFFAOYSA-N 412.243 3.808 0 1 HHAF CN(C)/C=C\[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342856 QCYNYIZNFWBKDG-UFDYQKKYSA-N 407.445 3.595 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)o1 587582931 PNTFLLYETGRKEK-NZQKXSOJSA-N 407.422 3.649 0 1 HHAF O=C1C[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CO1 587618984 VWKKQBBOVXBSLU-VZDNWZCBSA-N 402.402 3.812 0 1 HHAF CCc1ccc(-n2cc(CN3CCN(c4noc5cc(Cl)ccc45)CC3)nn2)cc1 653706815 YJVSMXNUGQURJA-UHFFFAOYSA-N 422.920 3.947 0 1 HHAF O=CNc1ccccc1[C@@]1(CCC(=O)O)c2ccsc2CCN1Cc1cccnc1 962991723 FAWAKPJWTCAMMP-QHCPKHFHSA-N 421.522 3.878 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)Nc2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302668 LMCZMNWKDARDDS-HUUCEWRRSA-N 410.449 3.889 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)C[C@H](O)[C@H](O)C(C)(C)O 2356665869 PWGFIVDGCMQGCD-REWPJTCUSA-N 416.514 3.727 0 1 HHAF CC[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 2356812691 BLFNSRNKQFZKGT-MOPGFXCFSA-N 418.534 3.569 0 1 HHAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)on1 61904548 KLXHKELDMDIANJ-HXUWFJFHSA-N 420.469 3.863 0 3 HHAF CSc1c2c(cc3c(O)cccc13)[C@](O)(CCC(C)C)[C@@](O)(C(=O)O)[C@H](C)C2=O 2356347776 YXCNTMYFPBJMSI-WLERDACDSA-N 418.511 3.539 0 1 HHAF CCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(CCc3ccccc3)c2n1 4238858 WQZUOYGWPRZLLL-UHFFFAOYSA-N 401.470 3.537 0 1 HHAF CC1=C[C@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356308266 GWVCPIVYTUJIEL-XJUOHMSHSA-N 420.557 3.768 0 1 HHAF CCCN1C[C@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 103224177 PYQMFEXIFSASPF-QFZRFWILSA-N 403.526 3.903 0 1 HHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)Cc2ccccc2)cc1 100093602 QYHDUKJSERPCNY-LNWKWYTESA-N 418.562 3.932 0 1 HHAF CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(C)cc23)[C@@H]1c1ccccc1Cl 103202802 YQCUKJKAVAZPNG-INIZCTEOSA-N 410.857 3.748 0 1 HHAF O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cn([C@@H]2CCCNC2)c2ncccc12 28862341 QRDSTOMHXWGYKD-CQSZACIVSA-N 409.433 3.812 0 1 HHAF CC[C@H](C)C(=O)Nc1nc2c([nH]1)C[C@H](c1cnc(NC(=O)c3ccccc3)[nH]1)CC2 2356790558 FSEAGKJOZOEDRV-DZGCQCFKSA-N 406.490 3.642 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28524985 NTAZIMVJXVIOMB-RTBURBONSA-N 404.436 3.927 0 1 HHAF CCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N(CC)CC)=C1C 61921494 WISHCDKRLLTYPB-QGZVFWFLSA-N 419.591 3.545 0 3 HHAF COc1cc(-c2cn(Cc3cccc(-n4cccn4)c3)nn2)ccc1-n1cnc(C)c1 72114177 IEVDJYMEYPZHBF-UHFFFAOYSA-N 411.469 3.682 0 1 HHAF COc1cc(CCc2cccc(O)c2)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](O)C2 14697298 ROBJEENLSUOGLU-RCZVLFRGSA-N 422.477 3.937 0 1 HHAF biogenic Cc1nc(C)c(CN2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)nc1C 45506699 QBSDCAQEJRKOIN-UHFFFAOYSA-N 416.953 3.557 0 1 HHAF COC(=O)[C@@H]1Cc2ccc(OCCc3nc(-c4cccc(C)c4)oc3C)cc2OC1=O 40915933 DHWHGZTWBWPUBI-IBGZPJMESA-N 421.449 3.831 0 1 HHAF COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccc(O)c1 299883055 QSMLDVGDBLTLRF-RSDNTHMSSA-N 413.470 3.797 0 1 HHAF O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)CCC2 299841421 ZTISQJYIMPGHCK-QFIPXVFZSA-N 421.541 3.973 0 1 HHAF COC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(O)cc1C(=O)O 653708710 ZCKIGKYXTYPWPR-UHFFFAOYSA-N 417.197 3.999 0 1 HHAF O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)c2ccccc2c1O 653731242 RDWKYGQFJBSFGL-UHFFFAOYSA-N 422.256 3.807 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2F)N1 587737247 DHXRDRDBUUDUAU-ZEWFUEFWSA-N 417.294 3.907 0 1 HHAF CS(=O)(=O)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361672 YQHQWTDLKDTQQF-DYXWJJEUSA-N 404.459 3.616 0 1 HHAF COc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 587660894 JAYPAMOFKVNVFD-UHFFFAOYSA-N 406.442 3.851 0 1 HHAF COC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587797977 WTQKUHDZGHTOFM-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF O=S(=O)(Nc1ccsc1-c1nc2c(Cl)ncnc2[nH]1)c1ccc(F)cc1 587169960 GOLRIVWLHOHMOU-UHFFFAOYSA-N 409.855 3.675 0 1 HHAF Cc1c(Br)cnc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 587133144 YNONIXZGKCXPLM-VIFPVBQESA-N 417.254 3.998 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 587837027 YSUGQOTVSFQHOJ-VMKIBOBSSA-N 420.278 3.906 0 1 HHAF CCOc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587595089 MOKMLUQJWLAACL-WMZHIEFXSA-N 403.390 3.600 0 1 HHAF CCOC(=O)CCCC(=O)NCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587103834 JTOBTEKZVMPZIA-UHFFFAOYSA-N 416.477 3.838 0 1 HHAF Fc1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587009177 VMZYJQYQCVJJSI-UHFFFAOYSA-N 411.032 3.937 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)cc(F)c2[nH]1 587120755 FTPKEUMFPHVNAK-UHFFFAOYSA-N 413.762 3.779 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(Cl)cc4[nH]ncc34)N12 962635435 IYEDEZPQEDRCML-UGKGYDQZSA-N 406.873 3.953 0 1 HHAF CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2)NCCc2cc(C)c(F)cc21 962145846 MTYBNELNERZGHQ-HSZRJFAPSA-N 401.478 3.884 0 1 HHAF CC(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(I)cc1 169368455 FCQURNVPSIDFJC-TYMYTCLUSA-N 423.294 3.720 0 1 HHAF CCCc1cc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)ccc1F 169706992 HYIVCTHPAZBCLJ-QGZVFWFLSA-N 406.461 3.706 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccccc1F 203883808 IPEGIOOBMMNEQR-SFHVURJKSA-N 412.392 3.981 0 1 HHAF N=c1[nH]cc(-c2ccc(F)cc2)n1CCCCn1c(-c2ccc(F)cc2)c[nH]c1=N 1857642578 NLNHMSDCIRNYGV-UHFFFAOYSA-N 408.456 3.997 0 1 HHAF CCOC(=O)c1cc2cc(N3CCN(C(=O)c4cccc(OC)c4)CC3)ccc2o1 299831464 PZIPHDIXTJRYQQ-UHFFFAOYSA-N 408.454 3.581 0 1 HHAF COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)cc1F)[C@H]1CCCCN1C2=O 4563919 BDHSIKYMFCDMOB-XLIONFOSSA-N 416.424 3.713 0 1 HHAF OCCN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc23)CC1 13452396 NCZRXRGIUPSHIH-UHFFFAOYSA-N 407.411 3.903 0 1 HHAF CC(C)n1cnc2c(NCc3ccc(Cl)cc3)nc(N3CCC[C@@H]3CO)nc21 13834636 KMXQXOQQGANJGB-MRXNPFEDSA-N 400.914 3.634 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1 27644806 KIQXRQVVYTYYAZ-ZSIDKUPHSA-N 410.457 3.816 0 1 HHAF endogenous,world CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(OC)c1 29130100 DIKWOUATAGYMJW-UHFFFAOYSA-N 409.530 3.517 0 1 HHAF CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(CC)CC)cn1 35983826 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CN(C)/C=C/[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342857 QCYNYIZNFWBKDG-VMBOGWNUSA-N 407.445 3.595 0 1 HHAF Cc1nn(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c(C)c1Br 587365049 ACAWQYMYRYULCL-UHFFFAOYSA-N 412.247 3.668 0 1 HHAF CCc1cc(Br)cc2c1NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417142 JANRSERXKOANCF-VLIAUNLRSA-N 414.255 3.615 0 1 HHAF C[C@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551333 ZTZCYYJMVDTAIV-WIYYLYMNSA-N 407.813 3.965 0 1 HHAF CC(=O)Nc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614342 SBKYTODHORLEQO-IERDGZPVSA-N 410.451 3.993 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615389 GUFFBIYYYGNZJU-NQKDMWHGSA-N 412.438 3.615 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 587753016 GZJXUXDYDJVPBU-ODXCJYRJSA-N 415.310 3.730 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587766749 WYRGHVDKXIFEIK-RTJDVGLLSA-N 421.358 3.966 0 1 HHAF CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C 587771308 FWLVNHZBPJGZBZ-PRWKNARSSA-N 403.295 3.905 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3cccc(F)c3)c2O)c(O[C@H]2CCOC2)c1 587924608 FOQWKJJFSXAKKJ-INIZCTEOSA-N 413.401 3.649 0 1 HHAF COc1ccc(Oc2ncc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)s2)cc1 962892527 CVUXTNINZYKYAO-MAUKXSAKSA-N 400.431 3.771 0 1 HHAF CC(=O)Nc1nc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cs1 962962281 WZWRFSNMLQNZTQ-MRXNPFEDSA-N 411.449 3.861 0 1 HHAF Cc1[nH]c(C)c([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1C=O 963202343 YXCHAHMCVOVMPF-MLGOLLRUSA-N 400.784 3.805 0 1 HHAF C[C@H](C=C[C@@H](C)[C@@H]1C[C@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CO 2356654129 OJUYKMCASYNMLF-QNIOGLGDSA-N 420.634 3.769 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1C(=O)O2)C=CC(C)(C)O4 2356724900 COZQSMYTHMTDIR-WIYYLYMNSA-N 408.406 3.535 0 1 HHAF COc1ccc2nc(O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1 8586293 LOIMLXAZXSZWCV-UHFFFAOYSA-N 408.502 3.935 0 3 HHAF Cc1ccc(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)o1 11938209 RLPCUAZYDHLHQU-UHFFFAOYSA-N 405.498 3.956 0 3 HHAF COc1cc(Nc2cc3c(cn2)nc(Cc2cccnc2)n3C)cc(OC)c1OC 205214861 QFTYZKZTDOGXRB-UHFFFAOYSA-N 405.458 3.724 0 3 HHAF CCCN(CCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1COc2ccccc2O1 1657786 HYBSMLDPHQVNJG-GOSISDBHSA-N 408.498 3.615 0 1 HHAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 2489487 DXRPDDOBITUDJR-FPOVZHCZSA-N 416.562 3.748 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)CC)c1 4206340 LLFGXFLGTLLIDV-LMNJBCLMSA-N 416.905 3.718 0 1 HHAF CCOc1c(Br)cc(-c2c(N)nc(N)nc2CC)cc1Br 13472720 HWVJYOCRGAJBRB-UHFFFAOYSA-N 416.117 3.794 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](C(=O)NCc1cccnc1)[C@@H]2O 13681771 JLDAJRITWUSQME-ZGWIAFOFSA-N 406.526 3.547 0 1 HHAF COc1ccccc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 13732871 LCXMDFBFVZFXEB-QFIPXVFZSA-N 414.465 3.657 0 1 HHAF COCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)O 27433484 OZYYAELFXWKIHS-QFIPXVFZSA-N 420.465 3.547 0 1 HHAF CCC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 36216370 WYIBCWLEEYFLPE-UHFFFAOYSA-N 407.558 3.643 0 1 HHAF C[C@@H]1N[C@H](C)[C@@H](C)N(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H]1C 64454537 ODRYYALTRCCVOI-LMLFDSFASA-N 416.736 3.776 0 1 HHAF O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3cc(Cl)cc(Cl)c3)cc21 84596763 SJXRXUWRLPLEAO-UHFFFAOYSA-N 402.284 3.809 0 1 HHAF CCOc1ccc2cc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)ccc2c1 84669176 DLMBMHOJKBPKLK-UHFFFAOYSA-N 402.502 3.627 0 1 HHAF in-vitro CS(=O)(=O)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1 96903447 LKJVQVMEOMGYGK-UHFFFAOYSA-N 424.507 3.652 0 1 HHAF O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)c1ccco1 110757311 UTENLGCOJFODIH-CABCVRRESA-N 416.220 3.533 0 1 HHAF Cn1cc(-c2cc(C(=O)N3CCC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144816432 ZNHKKHMUSRECLD-OAQYLSRUSA-N 413.399 3.712 0 1 HHAF Fc1cccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)c1 170112544 DCXBUQGVLPCUDG-DEOSSOPVSA-N 416.616 3.983 0 1 HHAF 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HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2cccnc2)CC[C@]1(C)O 2356742657 PVGRHWYGVBPSRC-VWPQPMDRSA-N 401.576 3.762 0 1 HHAF COc1ccc(CNC(=O)[C@@H](OC(=O)c2nsc(Cl)c2Cl)C(C)C)cc1 1381302 SSVKGGRDLRLAQK-AWEZNQCLSA-N 417.314 3.956 0 3 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCc2cccc(Cl)c2)O3)cc1 61906291 QCUDCOUBORYRHZ-NRFANRHFSA-N 421.884 3.980 0 3 HHAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@H]1c1cn(C)c2ccccc12 4792901 AUNYQPIQUYZOSQ-DNQXCXABSA-N 424.504 3.800 0 1 HHAF C[C@@H]1CCN(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc2S1 6917507 CKPPZTVWXZYQBP-LINZTHPZSA-N 415.555 3.778 0 1 HHAF CC(C)(CO)CN1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 20295701 SJUNPSAMLMLEQY-UHFFFAOYSA-N 406.530 3.899 0 1 HHAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NCc1cccnc1 25430119 LZXZTNBVTHFMNC-RTBURBONSA-N 410.518 3.677 0 1 HHAF biogenic Cc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2c1NC(=O)CC2 26831970 FDPYCYPXYYAJBW-UHFFFAOYSA-N 405.542 3.659 0 1 HHAF O=C(OC[C@H](CO)OC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 27722298 YIBHDAKUJGXPLH-UNHHQYQHSA-N 416.558 3.867 0 1 HHAF O=C1[C@@H]([S@@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 27864035 TZQGTALDABUEJY-UETOGOEVSA-N 409.482 3.979 0 1 HHAF c1ccc(Oc2cccc(COc3cccc(OCCCc4nnn[nH]4)c3)n2)cc1 28219116 XJKFJMBXYULIGP-UHFFFAOYSA-N 403.442 3.978 0 1 HHAF O=C(N[C@@H]1N=C(c2cccc(C(F)(F)F)c2)c2ccccc2NC1=O)c1ccco1 34642110 JNXJTFPNYUSBMX-SFHVURJKSA-N 413.355 3.844 0 1 HHAF COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)NC(=N)N(C)C2=O)cc1Cl 34661182 NBTCNBCWVKBTIT-QFIPXVFZSA-N 406.873 3.651 0 1 HHAF O=C(O)c1cc(CN2CCc3ccccc3[C@H]2c2ccncc2)c2ccccn2c1=O 43208611 KRWUQKVIZMAAPL-HSZRJFAPSA-N 411.461 3.540 0 1 HHAF CC(C)(O)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O 45371916 SXJHZFKTNVGIEG-WDJPJFJCSA-N 416.514 3.973 0 1 HHAF CC1=C(C(=O)Nc2ccccn2)C(c2ccco2)C(C(=O)Nc2ccccn2)=C(C)N1 72111505 DXOLCVIVWZJVJQ-UHFFFAOYSA-N 415.453 3.582 0 1 HHAF COc1ccc(S(=O)(=O)n2cc(C3=C(Cl)CN(C)C3)c3ccccc32)cc1 72177147 NAXNRJDXAGIWGO-UHFFFAOYSA-N 402.903 3.782 0 1 HHAF CC(C)(C)NC(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12 82158456 XLCLFBILYNYYBD-UHFFFAOYSA-N 410.543 3.910 0 1 HHAF Cc1ccc(S(=O)(=O)n2cc(Cl)c3c(CN4CCN(C)CC4)cccc32)cc1 95559113 KYALHNGBJNCCGJ-UHFFFAOYSA-N 417.962 3.588 0 1 HHAF COc1ccccc1CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCC3)C[C@@H]21 95893430 VWYNOJZKLPMZPG-WPFOTENUSA-N 406.526 3.561 0 1 HHAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)c(N)c3)c3c(N)nccn32)C1 100619046 AFOHUIOGDQPTIX-GUJKFWMDSA-N 401.470 3.981 0 1 HHAF Cc1ccnc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4F)ccc32)c1 103296068 DUNLEFJGQYOGPY-UHFFFAOYSA-N 421.453 3.775 0 1 HHAF C[C@]1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)CCSC(N)=N1 141493162 FSIYTVBWWROBPT-QGZVFWFLSA-N 405.321 3.763 0 1 HHAF COc1cc(OC)cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142395012 UFGFQEIKKDAYAA-BJMVGYQFSA-N 424.478 3.584 0 1 HHAF C[C@]1(C(F)(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 143493355 RIMDYISZNODGFW-AUUYWEPGSA-N 421.375 3.984 0 1 HHAF C[C@]1(c2cc(NCc3nn(C(F)F)cc3Cl)ccc2F)N=C(N)COC[C@@H]1F 169702876 RZXYOIJGPYTNGY-WMLDXEAASA-N 419.810 3.624 0 1 HHAF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 169709607 MOMLYOUBPIJKRX-HNAYVOBHSA-N 419.472 3.970 0 1 HHAF CCN(CC)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709892 HTZLAHPNOPJQHG-OXJNMPFZSA-N 414.525 3.922 0 1 HHAF C[C@H]1c2nnn(-c3ccccn3)c2CCN1C(=O)c1ccc(F)c(Cl)c1Cl 225976222 MDWQVJGLGUXAKF-JTQLQIEISA-N 406.248 3.868 0 1 HHAF CN1CCC(c2cc3c(-c4nc(NCc5ncn[nH]5)ccc4Cl)ccnc3[nH]2)CC1 226071273 AVDFGQCHSCXTLI-UHFFFAOYSA-N 422.924 3.818 0 1 HHAF CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 253652081 WBZIEKDSJFZPMX-UPVQGACJSA-N 408.498 3.591 0 1 HHAF O=C(Nc1nc2cccc(-c3ccc(Cc4ccc(O)c(CO)c4)cc3)n2n1)C1CC1 299822352 OJDRVJFLSIDYTH-UHFFFAOYSA-N 414.465 3.534 0 1 HHAF CC(/C=C/C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CCCCCC(=O)O 299863298 KUYFQMXHLKRNIU-MXVFGJIGSA-N 417.502 3.678 0 1 HHAF O=C(O)c1cc(Br)cc2nc(-c3ncc(Br)cc3F)[nH]c12 587155871 UPNCNFUOFQOJGI-UHFFFAOYSA-N 415.016 3.987 0 1 HHAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587202069 BOMGUCQKTIVBNR-LLVKDONJSA-N 424.345 3.679 0 1 HHAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587374790 QMLVEWURRJHTHR-IOLVHUCKSA-N 402.443 3.554 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)N1CCCCC1)[C@@H](C2)C3=O 587445372 WDAUIMFPNDGSDV-UUOWRZLLSA-N 407.466 3.575 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(N)cc2C(=O)c2ccc(N)cc21 587472500 ISBODMQDWNICAD-VWLOTQADSA-N 414.461 3.963 0 1 HHAF CCOC(=O)CCCC(=O)NCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513630 SQSXVARIBRIDQH-QGZVFWFLSA-N 401.503 3.529 0 1 HHAF CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516506 CWNXWVBVSIOKRD-BKMJKUGQSA-N 419.521 3.965 0 1 HHAF NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587574445 AXQOAYABXCCEOU-QPPBQGQZSA-N 414.417 3.535 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CC(=O)O)c2c1 587649714 XXZAOQBFQRFXRE-UHFFFAOYSA-N 408.273 3.628 0 1 HHAF C[C@@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658633 QNBJDYRXFYIONC-CYBMUJFWSA-N 411.433 3.756 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(CCCc4nc(Cl)ccc43)N12 962657508 CCEBGYNEUZHQGS-DHIUTWEWSA-N 407.901 3.962 0 1 HHAF COc1ccc(-n2cccc2[C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1Cl 962918648 JHKULXATPVCXAT-OXJNMPFZSA-N 400.837 3.967 0 1 HHAF CCNc1nnc(CSc2nc3sc4c(c3c(=O)n2CC)CCCC4)s1 1772632612 QQRMJOMHKQUTJZ-UHFFFAOYSA-N 407.590 3.932 0 1 HHAF Cc1c(CCN2CCOCC2)c2cc(Br)ccc2n1C(=O)N1CCCC1 1857533901 JZHNKJRHEGZZKX-UHFFFAOYSA-N 420.351 3.651 0 1 HHAF Cc1cnn(C(=O)N2CCCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1 1857550366 WVODQAHSUWSQJB-UHFFFAOYSA-N 404.514 3.947 0 1 HHAF COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccccc1C(=N)N 1857586850 KCCODAUAHZEHFK-UHFFFAOYSA-N 411.483 3.881 0 1 HHAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@@]2(C)[C@H]1CCC(=CCO)CO 2356600166 CCNLJIUCOXTJDA-KTIHBUSBSA-N 422.562 3.863 0 1 HHAF CC(=O)[C@@H]1C[C@]23C(=O)[C@@](CC=C(C)C)(C(=O)C(C)C)C(=O)[C@](C)(C[C@@H]2C1(C)C)C3=O 2356679643 YWCYHQDJGKSIEV-UMBMHIEFSA-N 414.542 3.923 0 1 HHAF CN(C)c1ccc(C(=O)N2CC[C@H](CC(=O)O)[C@H](CCN(C)c3ccccc3)C2)cc1 2356862359 UZRWESWYPMWQEZ-NHCUHLMSSA-N 423.557 3.832 0 1 HHAF Cc1ccsc1-c1nc(CSCC(=O)N2CCC3(CC2)OCCO3)c(C)o1 5057705 QRUTVCISCHPAJC-UHFFFAOYSA-N 408.545 3.619 0 3 HHAF Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 12430515 CVZDXWMAYAYVEC-INIZCTEOSA-N 401.457 3.617 0 3 HHAF COc1ccc([C@@H](NC(=O)c2ccc(=O)[nH]c2)C(=O)Nc2ccc(C(C)C)cc2)cc1 13521249 XSBKTCYOTIIKMM-JOCHJYFZSA-N 419.481 3.617 0 3 HHAF CCOc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)cc1 104009427 GSLMNAQPHKHUDK-RHSMWYFYSA-N 420.391 3.795 0 3 HHAF Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2cccc(Cl)c2)c1=O 6382755 HMDMKDSHGPOJIP-UHFFFAOYSA-N 423.944 3.777 0 1 HHAF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 13731628 WHOYCZAZHQFDDJ-NOXFTYBFSA-N 401.572 3.564 0 1 HHAF C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@@H](C)N1 13758939 JGTCAZYZKSEFEF-GASCZTMLSA-N 423.467 3.940 0 1 HHAF C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1)c1ccccc1 13794091 UNPAATNKWLYEKL-PMACEKPBSA-N 414.557 3.964 0 1 HHAF CC[C@H](C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@]2(C)OC1=O 14610761 PDIQMKRQFHBXJF-MCFWBGNESA-N 406.434 3.692 0 1 HHAF biogenic CCOc1cc2oc(=O)c3c(c2cc1OCC)CCN(C[C@H](C)N1CCCCC1)C3 27732763 NKEXTKDSXUWBQP-KRWDZBQOSA-N 414.546 3.823 0 1 HHAF CNC(=O)C(C)(C)COc1ccc2cc([C@H]([C@H](C)N(C)C)n3ccnc3)ccc2c1 28137096 LEDOEMLBTIQWQV-JTSKRJEESA-N 408.546 3.727 0 1 HHAF CC(C)(C)CC(=O)OC[C@@]1(CO)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O1 40380422 SSQSVBGDCJBGSU-MWNFOORISA-N 400.393 3.746 0 1 HHAF O=c1nc(Nc2cccc(Br)c2)nc(NCc2ccc3cc[nH]c3c2)[nH]1 64526341 YROKNFCDOPQNJU-UHFFFAOYSA-N 411.263 3.764 0 1 HHAF Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Br)c(F)c2)n1 84687762 BQCDMQWHENHZJK-UHFFFAOYSA-N 403.255 3.642 0 1 HHAF CCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12 88345874 AVZKYEAQRGSTAW-UHFFFAOYSA-N 410.481 3.632 0 1 HHAF Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cnnn1-c1ccnc2cc(Cl)ccc12 95590424 BBTQXHPBAORMDH-UHFFFAOYSA-N 403.829 3.507 0 1 HHAF O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637743 PGTODXDQJMSMLR-LDLYASANSA-N 404.539 3.954 0 1 HHAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@H]3C2)n1 116824079 HVESSTMOZKWUSV-SFTDATJTSA-N 410.521 3.873 0 1 HHAF NC(=O)/C=C\c1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12 146916037 KCKDQEVZBYMBAK-QXMHVHEDSA-N 409.493 3.900 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC3(CCNCC3)C2)cc1)N1Cc2ccc(F)cc2C1 166532426 FYIAFPUHIXLCHI-UHFFFAOYSA-N 422.504 3.589 0 1 HHAF CN(C)C(=O)c1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1 169321259 LBWAFIRGJIWRIW-UHFFFAOYSA-N 413.522 3.576 0 1 HHAF COc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 204965133 IEISAWHFMJQZJD-XMMPIXPASA-N 420.415 3.786 0 1 HHAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CC[C@H](C)C3 206143008 LNJYGCAFEIECPH-BBATYDOGSA-N 408.458 3.701 0 1 HHAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1cccc(C(F)(F)F)c1F)C2 219539871 KQFUVCDJYBVSHT-SNVBAGLBSA-N 419.382 3.920 0 1 HHAF COc1cccc2c1CCN(C[C@H](O)COc1cccc(CNC3CCCC3)c1)C2 219776180 FVRSYURPSNFXLF-QFIPXVFZSA-N 410.558 3.525 0 1 HHAF CCc1ccccc1NC(=O)CCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1 261174029 ULPVRDIUCGXCNO-IBGZPJMESA-N 402.542 3.801 0 1 HHAF Cc1ccc2c(c1)sc1nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 299850152 AVVZYTJOPQOYTM-UHFFFAOYSA-N 416.934 3.738 0 1 HHAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586911242 QWCPQTUFBVYESX-CQSZACIVSA-N 419.890 3.826 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccccc2[nH]1 586956842 WFDFSQZXCRUYOF-UHFFFAOYSA-N 405.479 3.990 0 1 HHAF COC(=O)c1ccnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 586959186 JHYFYXAEYSGONI-GDLZYMKVSA-N 405.479 3.783 0 1 HHAF Cc1ccc(-c2nnc(SCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)n2C)cc1 586965951 XCZKADWBHZDCRP-UHFFFAOYSA-N 406.515 3.661 0 1 HHAF O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Cl)cc2[nH]1 587000743 UGFVETZIBRFNMD-UHFFFAOYSA-N 406.667 3.947 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O 587428870 MLYWSVGICFUDQQ-NRJQMVOHSA-N 424.497 3.590 0 1 HHAF CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)C1 587581832 JFAHCGQAPYYQQM-GQOCTPOGSA-N 411.498 3.861 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cnoc1)c1ccccc1O 587588295 SGAFHDSEQKQDFW-OFNKIYASSA-N 401.374 3.991 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 587760094 XAHHEMWCLCAOOR-GIPWTMENSA-N 416.294 3.652 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C3CCN(CC3)[C@@H]1Cc1cccnc1)N(C)[C@H](C)C2 962564696 HHEMQKDABRTWAD-JHTITAFHSA-N 407.558 3.507 0 1 HHAF Cc1cc([C@@]2(c3ccc(F)c(F)c3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccn1 963508546 KMDFDMMQIIVAHB-WMZHIEFXSA-N 410.420 3.573 0 1 HHAF Cn1c(C(=O)N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)cc2sccc21 4102032 MRQMPNSHAMNTFG-GOSISDBHSA-N 409.555 3.841 0 3 HHAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@H](O)CC)c1 774172 XZUGPKWJMAWYNY-QGZVFWFLSA-N 410.470 3.917 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCOC)c1 4055628 GXKLACVFJUANKI-TZIWHRDSSA-N 416.905 3.983 0 1 HHAF O=C(N[C@H]1CC[C@H]2C[C@@H](N3CCN(c4ccccn4)CC3)CC[C@@H]2C1)c1ccccc1 12356390 OVQXIVRARLGKOO-SBFWRKJZSA-N 418.585 3.971 0 1 HHAF CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2cccnc2-c2nnn[nH]2)cc1 13560875 HCTWUCUPSFYQBD-UHFFFAOYSA-N 410.485 3.983 0 1 HHAF COc1ccc(CN(CCO)Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 29132884 BUYLPAVIKGRWEV-UHFFFAOYSA-N 405.498 3.524 0 1 HHAF COc1cc(Nc2cncc(Oc3ccc4c(c3)OC(=O)CC4)n2)cc(OC)c1OC 40943369 WPQIHJNEPXGQCO-UHFFFAOYSA-N 423.425 3.890 0 1 HHAF Cc1cccc(C)c1NC(=O)CN1C[C@@H]2CC[C@H](C1)N2c1ncnc2sccc12 43020993 IBRWYASHNPXKCB-CALCHBBNSA-N 407.543 3.600 0 1 HHAF O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCC[C@H](OCCCN2CCOCC2)C1 43067074 YPUVSUVAEBMZCZ-SEZMWUKUSA-N 418.622 3.759 0 1 HHAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64446774 AGOMZXFWATVFOH-FCEWJHQRSA-N 407.520 3.515 0 1 HHAF Cc1cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)nc(C(C)(C)C)n1 64512709 XPOFLCYNWICEGC-UHFFFAOYSA-N 423.605 3.641 0 1 HHAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1ccccc1 84688555 WVKVQKABUSFKGP-QHCPKHFHSA-N 424.504 3.777 0 1 HHAF O=C(Nc1cc2ccccc2cc1OC1CCC(O)CC1)c1cnn2cccnc12 113653725 FQVCSBNTPQDQSS-UHFFFAOYSA-N 402.454 3.817 0 1 HHAF CCCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195282949 PKRSCLWRYRXOGB-CQAIJBSESA-N 423.553 3.699 0 1 HHAF O=C(Cc1ccc(F)cc1)N1CCC([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 205790617 GCUYSCRDNLRJNF-UPVQGACJSA-N 419.500 3.824 0 1 HHAF Cc1cncc(C(=O)Nc2csc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)c1 210577949 HXZGYULRIICNNQ-UHFFFAOYSA-N 414.575 3.831 0 1 HHAF O=C(/C=C/c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1 215283639 UWFAKGRIJXHOQS-JXMROGBWSA-N 403.295 3.946 0 1 HHAF CCOC(=O)[C@H]1CCCN(c2nc3c(c(Nc4cc(C(C)(C)C)[nH]n4)n2)CCC3)C1 299868398 RHEIFZOJVKPGAQ-AWEZNQCLSA-N 412.538 3.509 0 1 HHAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586959986 UNKHUGSTBYLDSA-HNNXBMFYSA-N 417.434 3.644 0 1 HHAF Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587086001 BNTOWPBHJNDVBX-UHFFFAOYSA-N 408.565 3.917 0 1 HHAF CCOC(=O)CCOCCCOCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587566863 ZFPHPCSVUKSTSY-UHFFFAOYSA-N 406.376 3.640 0 1 HHAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587590659 CVWDGHLZEOMHAY-SIKLNZKXSA-N 406.390 3.890 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)C(F)(F)F)c(=O)c3ccccc23)c(O)c1 587664307 ARESLWXYXJUMTO-UHFFFAOYSA-N 405.376 3.818 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CN(C(=O)OCc3ccccc3)C2)N1 587758685 CZVKTNFTIGXBPV-ZDUSSCGKSA-N 419.294 3.970 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587766745 WYRGHVDKXIFEIK-BVIIXDKSSA-N 421.358 3.966 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccoc1CC[C@H]2CC(=O)O 587836054 YRCZPPXCFYMFTA-FKWBGFQESA-N 408.267 3.996 0 1 HHAF Cc1cc2c(n1-c1nn(-c3ncccn3)cc1Br)CC(C)(C)CC2=O 587940178 NGMZEAIVLIPSOF-UHFFFAOYSA-N 400.280 3.679 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)[C@H](C(=O)C(F)(F)F)[C@@H]2CC[C@@]1(C)C2(C)C 962921598 HSTKVHCRFGIFCW-YEGCCALASA-N 422.491 3.933 0 1 HHAF CC(=O)CC[C@@H]1C(=O)CC[C@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963178248 JKMANERGBBTAQX-MZKGEVEHSA-N 417.811 3.501 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cnc(C(=O)OCC)c(C(=O)OC)c1 963232508 SSLLOPPHSPVAFW-FYSMJZIKSA-N 410.514 3.965 0 1 HHAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)ncn2)C1 1772605688 WTJOCOFIGCKQLG-AWEZNQCLSA-N 410.861 3.881 0 1 HHAF CC(=O)[C@H](O)[C@H](O)CC(C)=CCC[C@H](C)C=CC=C(C)CCCC1=CC(=O)O[C@@H]1O 2356500296 QWSRTOLIHWJYKS-JRCMHKENSA-N 420.546 3.524 0 1 HHAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1cc(OC)ccc1Br 61895848 LVYKZRNHMIRYQV-LJQANCHMSA-N 411.340 3.759 0 3 HHAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cccc2ccccc12 61897592 JHOFHZJSJPXESG-XMMPIXPASA-N 402.450 3.741 0 3 HHAF CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccc(F)cc2F)CC1 6808289 FSUDVVHXJYRGDT-UHFFFAOYSA-N 407.417 3.963 0 1 HHAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H]2COc3ccccc3O2)CC1 27899501 NQJYFIRWRMHLFE-NRFANRHFSA-N 424.541 3.751 0 1 HHAF CCCCCCNCCNc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1OC 28949308 PTNBARQZFFAIRJ-UHFFFAOYSA-N 419.497 3.764 0 1 HHAF Cc1cccc(N2C(=O)C(Cl)=C(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)c1 64715087 YWMMKHILCHGFQS-UXBLZVDNSA-N 421.928 3.650 0 1 HHAF CN(C)c1ccc(C(=O)N2CC[C@H](CC(=O)O)[C@@H](CCN(C)c3ccccc3)C2)cc1 2356862360 UZRWESWYPMWQEZ-RTWAWAEBSA-N 423.557 3.832 0 1 HHAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1 61895437 NGUPXDXIAVVOAW-NRFANRHFSA-N 403.438 3.658 0 3 HHAF [O-][n+]1cccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)c1 38838837 FOIWJMGHUDACNX-UHFFFAOYSA-N 414.238 3.543 0 1 HHAF COc1ccc(Cl)cc1-c1cccn([C@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O 36190510 ZXAORBJNVHWABO-SIKLNZKXSA-N 424.928 3.833 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C 36153181 SZDSCLOAPYDVBU-VKGDWXSCSA-N 402.579 3.513 0 1 HHAF O=C(Cc1ccccc1F)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 40764175 DIGRFZLOVMYUPU-UHFFFAOYSA-N 421.472 3.966 0 1 HHAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO 95878733 BKTNQFPVSPQVST-SNRMKQJTSA-N 407.352 3.730 0 1 HHAF CNCc1csc2nc(-c3ccccc3NC(=O)c3cnc4ccccc4n3)cn12 96921375 IKCLSNFIYKECTM-UHFFFAOYSA-N 414.494 3.978 0 1 HHAF CC(C)[C@@H]1COCn2nncc2CC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 95661693 NXOFSRGLZKENNX-VWNXMTODSA-N 418.541 3.865 0 1 HHAF CCN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(=Nc2cc(C3CC3)[nH]n2)[nH]1 473169060 LXAVLHJMLKIDME-UHFFFAOYSA-N 408.897 3.799 0 1 HHAF CCOC(=O)c1cc2cc(N3CCN(C(=O)Cc4ccc(OC)cc4)CC3)ccc2o1 299831451 PVZXHSXUCLIVKI-UHFFFAOYSA-N 422.481 3.509 0 1 HHAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCOc3ccccc3)O2)n1 653895473 XIVLPTBYQGCIIK-YRGVVPAESA-N 403.500 3.918 0 1 HHAF Brc1cc2c(cc1/C=C/c1nc3cc4c(cc3[nH]1)OCCO4)OCO2 586999032 SJEPWGIGPGVCRL-OWOJBTEDSA-N 401.216 3.996 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017171 IZMGVTDLQPYHOA-UHFFFAOYSA-N 416.528 3.949 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349782 QOMQGAMHSGUOOQ-LTMIRXACSA-N 412.413 3.561 0 1 HHAF O=C(CCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Cl)cn1 587080140 AQNKKBRKADNEHY-UHFFFAOYSA-N 422.876 3.876 0 1 HHAF COC(=O)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587119041 UMODXAYTRGWMNR-UHFFFAOYSA-N 417.185 3.570 0 1 HHAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587256223 CFQDKTNFEFZVGB-SECBINFHSA-N 422.245 3.946 0 1 HHAF COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)ccc1OCC(=O)NC(C)C 587221324 WBBGUMIOUMTQSJ-UHFFFAOYSA-N 404.470 3.999 0 1 HHAF COC(=O)CCn1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587758520 QHDOBGWGBCRQEP-GIGQVBGESA-N 424.314 3.588 0 1 HHAF Oc1nc(O)c2cc(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)nc2n1 587369121 VZRIVKLFMITYFY-UHFFFAOYSA-N 403.364 3.897 0 1 HHAF CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@]2(NCCc3ccc(O)cc32)[C@@H]1CCC(=O)O 963341093 KDCNVKRZQGPGHJ-QVHJCDIPSA-N 417.546 3.525 0 1 HHAF O=C1C[C@H](C2CC2)C[C@@]2(C1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963197993 UXMVHGYNDJANON-LSKLOWJMSA-N 401.812 3.932 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccnn2-c2ccc(F)cc2)N1 962638405 TWHVJRWGPJRVAP-KSSFIOAISA-N 421.350 3.598 0 1 HHAF CCOC(=O)c1cc(NC(=O)Nc2ccccc2F)n(C[C@H](O)c2ccccc2)n1 1772607816 KOMZSRPVOVYFPN-SFHVURJKSA-N 412.421 3.577 0 1 HHAF CCN(CC)CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 5006997 KKNUORWBNCPHAE-UHFFFAOYSA-N 400.548 3.772 0 3 HHAF Cc1c(C(=O)NCc2ccncc2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 12152800 ROTBIIQARIVFPZ-IXDOHACOSA-N 405.527 3.949 0 1 HHAF CCCCCOc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 13725132 NATABTMCIQIPPL-GOSISDBHSA-N 409.446 3.534 0 1 HHAF COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@@H](C)C1 169342073 XZXXLPIPCBQIPA-SUMWQHHRSA-N 410.356 3.768 0 1 HHAF CCn1/c(=N\C(=O)c2cc(=O)c3ccccc3o2)sc2c(OC)ccc(OC)c21 2714327 YFXLZYIEXALJGY-QURGRASLSA-N 410.451 3.587 0 1 HHAF Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Nc2ccccc2)n2cc[nH]c(=O)c12 1857550789 MZGOBANWWBTWRO-UHFFFAOYSA-N 408.483 3.718 0 1 HHAF COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C 1857603254 ACQHAIZGTGISMN-JOCHJYFZSA-N 423.904 3.630 0 1 HHAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CC12CC2 1857654139 UNVBHOFLSGJYDE-INIZCTEOSA-N 415.419 3.718 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 7140965 PUDOZZTYLABBEU-VYDXJSESSA-N 415.559 3.727 0 1 HHAF COc1ccc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)c1O 14648413 MPUOEJUQPBUYGD-CQSZACIVSA-N 400.427 3.688 0 1 HHAF biogenic CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25434159 ZWZNLUGLEWPUDI-HUUCEWRRSA-N 401.894 3.958 0 1 HHAF biogenic CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/[C@H](O)CCc2ccccc2)[C@@H]1O 38798068 XBDPKIKSINIXBV-DUNZKYIBSA-N 414.542 3.940 0 1 HHAF Cc1ccccc1CN(C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C(C)C 40916308 GYFHJKQNXMCYQU-JOCHJYFZSA-N 400.473 3.663 0 1 HHAF COc1c(C)cnc(CN2CC(OC3CCCC3)=Nc3c(Cl)nc(N)nc32)c1C 43075246 MKBWNXUGDUFIHX-UHFFFAOYSA-N 416.913 3.742 0 1 HHAF COc1ccc(-c2cc(C(=O)N[C@@H](Cc3nc4ccccc4[nH]3)C(=O)O)c(C)o2)cc1 45350195 AXQQYBVKSOBJAU-IBGZPJMESA-N 419.437 3.566 0 1 HHAF O=C(c1ccc(I)s1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 49070889 BQUMPXRHNJMTFX-CHWSQXEVSA-N 419.328 3.551 0 1 HHAF COc1cccc(-c2nc3c(Nc4cccc(S(C)(=O)=O)c4)nccc3[nH]2)c1F 82081951 UCYNGSTWNIMKMG-UHFFFAOYSA-N 412.446 3.920 0 1 HHAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1Cl)CC3 82195983 NOULIDUVSPWBQQ-UHFFFAOYSA-N 418.884 3.781 0 1 HHAF O=c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 84712895 TWDJYRDXTHJMHU-UHFFFAOYSA-N 419.384 3.674 0 1 HHAF COc1ccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)c4ccccc4)C[C@@H]32)cc1 95893539 IINGEUWWZKSYRS-ISJGIBHGSA-N 414.505 3.685 0 1 HHAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(NN)=NC=N[C@@H]32)cc1 98084651 MMAVPPVRNUUMCW-RCZVLFRGSA-N 409.493 3.930 0 1 HHAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3C=C[C@@H](C2)N3C(=O)OC(C)C)c1C 101417649 SQYOFLMCCJPQHI-IRXDYDNUSA-N 410.474 3.976 0 1 HHAF Cc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2c1C(=O)CC(C)(C)C2 101828247 SIEDNUHWSIZMAF-WOVMCDHWSA-N 409.530 3.755 0 1 HHAF O=C([C@H]1CC12CCN(CCc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1 103243014 JNBBGRYENGIBBN-XMMPIXPASA-N 409.618 3.808 0 1 HHAF CC(C)c1cccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 116257544 ZORRHPHSEMTNSF-VWLOTQADSA-N 414.461 3.995 0 1 HHAF CCCNC(=O)N1CCc2c(F)ccc(-c3cc(CC(=O)O)ccc3OCC)c2C1 144031018 IAWNEOFABPHSJA-UHFFFAOYSA-N 414.477 3.996 0 1 HHAF CC1=NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169687133 PSDXASFUMCQYGS-MSOLQXFVSA-N 400.818 3.654 0 1 HHAF O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(-n2c(O)ccc2O)cc1 169689877 WMPXTDKIMPHETD-UHFFFAOYSA-N 409.423 3.522 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@]3(C)CNC(=O)C3)nn2-c2ccccc2)c1 169706958 LZMRDQMIIGIASF-XMMPIXPASA-N 402.498 3.957 0 1 HHAF CC(=O)[C@H](O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@H]1O 257527109 QWSRTOLIHWJYKS-HJYTVPJQSA-N 420.546 3.524 0 1 HHAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(Br)cn1)C2 473171425 WIFHLFFAUGGFPJ-RCBQFDQVSA-N 420.282 3.849 0 1 HHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(N)nc(Cl)c2[nH]1 586980344 POPBSLNMGDBINE-UHFFFAOYSA-N 403.671 4.117 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587260207 SXGZMPYFRRFHHX-ZDUSSCGKSA-N 408.289 3.971 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1O[C@H](C)C(=O)O)CC2=O 587481701 HECMSIAGCYSNOA-BLVKFPJESA-N 400.427 3.912 0 1 HHAF C[C@@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580567 SENKDUUKDQRVIX-XXBNENTESA-N 405.406 3.552 0 1 HHAF C[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658638 QNBJDYRXFYIONC-ZDUSSCGKSA-N 411.433 3.756 0 1 HHAF CCNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587752696 FECLIMJISIPDEV-FKIZINRSSA-N 421.310 3.727 0 1 HHAF CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834502 LAPIYHNYCWMAHS-BUXKBTBVSA-N 414.315 3.698 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(-c2ccccn2)s1 587870079 YJCVIXGOZXIVIY-UHFFFAOYSA-N 404.377 3.875 0 1 HHAF CC(C)=CCc1c(C)cc(O)c2c1[C@@H](O)c1c3c(cc(O)c1C2=O)OC(C)(C)[C@@H](O)C3 653719129 XNHAUQBKMUONHB-FDDCHVKYSA-N 424.493 3.615 0 1 HHAF CC1(C)C[C@]2(c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c2ccc(O)cc2O1 962658984 FAJQXIIFTAVYPI-RPBOFIJWSA-N 418.493 3.844 0 1 HHAF Cc1cccc(CN2CC[C@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)c1 1772580009 FEAAPOLQVVDUPG-SFTDATJTSA-N 400.469 3.926 0 1 HHAF Nc1c([C@@H](O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3 1857596838 ANNRDPJKNDKBJH-IBGZPJMESA-N 404.495 3.818 0 1 HHAF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc(O)c(OCN3C=C4C=CN=C4C3)c2)CC1 2356832102 JTQNWRVSGJOKOY-YIGJPRQDSA-N 422.525 3.751 0 1 HHAF Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 5035681 MAFVSKGUDFHXDU-SFHVURJKSA-N 409.511 3.583 0 3 HHAF CC(C)CN1CCC(CNC(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)CC1 11842931 YWSYTZQGFINKLV-UHFFFAOYSA-N 423.561 3.559 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 95570836 PTSIUNPDVXBFMI-IBGZPJMESA-N 405.903 3.884 0 3 HHAF CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3ccc(-n4ccnc4)cc3)C[C@@H]21 199387891 ARXBNROCSALWQK-XWGVYQGASA-N 416.525 3.640 0 3 HHAF COc1cc2c(c(O)c1OC)[C@H](O)[C@@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 1654659 OIHLTMSXVOAYSE-BULFRSBZSA-N 405.450 3.690 0 1 HHAF COc1ccc([C@@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 3952868 PUJCSYJMQMUYPS-HNNXBMFYSA-N 424.400 3.668 0 1 HHAF COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 13732861 YPPFHWFXNYPRSR-JOCHJYFZSA-N 414.465 3.657 0 1 HHAF CC(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)c1ccccc1 14827079 GZZZGRTUYOVNEC-NHCUHLMSSA-N 408.406 3.794 0 1 HHAF biogenic O=c1ccn(COC(COCc2ccccc2)COCc2ccccc2)c(=S)[nH]1 27181928 QKECHIGSMNKMRW-UHFFFAOYSA-N 412.511 3.682 0 1 HHAF CCCC[C@H](NC(=O)O[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 28524945 HMVXEHSUUNUEBL-LWASTNQWSA-N 400.519 3.907 0 1 HHAF Cc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1NC1CCN(C)CC1 35262023 JQAIGANHVBUVMZ-UHFFFAOYSA-N 401.507 3.832 0 1 HHAF COc1cc2ncn(-c3cc(OCCc4ccccc4)c(C(N)=O)s3)c2cc1OC 40898996 WJXHPWZUPIMHJP-UHFFFAOYSA-N 423.494 3.825 0 1 HHAF COc1cccc(-c2cccc([C@]3(c4ccncc4)N=C(N)N4CCCN=C43)c2)c1F 73312492 QPJHVYYOFCYPRT-DEOSSOPVSA-N 415.472 3.572 0 1 HHAF COc1cc2nc(NCc3ccc(Cl)cc3)nc(NC[C@@H](C)O)c2cc1OC 82129833 JSPHXTQOXQTYFD-GFCCVEGCSA-N 402.882 3.705 0 1 HHAF O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc2c(c1)OCO2 84636073 INMJUKSTSHEVPE-UUASQNMZSA-N 420.240 3.573 0 1 HHAF O=S(=O)(c1ccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3N4)cnc2F)cc1)C(F)(F)F 95552405 XADIAGJQJVHXBU-INWMFGNUSA-N 400.397 3.789 0 1 HHAF COc1cc(/C=C2\CCCN3C[C@@H](c4cnccn4)ON=C23)ccc1-n1cnc(C)c1 95572345 RQRYVRQLBRSJSQ-RJSQPESZSA-N 416.485 3.544 0 1 HHAF COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(-c4ccnn4C)c3o2)cc1OC 95586322 RWBGXQHQTOAZOQ-UHFFFAOYSA-N 422.437 3.895 0 1 HHAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95795577 SNBXOFNUQREFDT-PKTZIBPZSA-N 408.517 3.557 0 1 HHAF Nc1nn(CC(=O)NCc2ccco2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 96934515 MTASKNUXDZZGBX-UHFFFAOYSA-N 415.375 3.609 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3ccncc23)CC1 101472724 YPCRGPXNTYVGQS-YVYRYSHUSA-N 417.509 3.763 0 1 HHAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(c2ccc(F)cc2)CN1C 103209454 YWIOZUWVHOKKGP-UHFFFAOYSA-N 405.861 3.551 0 1 HHAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ncccc4Cl)nn23)C1 142885415 KFMIHULBBWHKPZ-AWEZNQCLSA-N 420.908 3.511 0 1 HHAF C[C@@]1(c2cc(-c3cncc(Cl)c3)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1 207726392 QVJNHZKJIMWKJP-IBGZPJMESA-N 421.925 3.855 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CCCC(=O)CC4)[nH]c3c2)cc1 586888835 YUWHOFNVUGOBKR-CQSZACIVSA-N 413.499 3.989 0 1 HHAF COC(=O)c1cccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c12 586918242 KQKSJVGLWKBIDW-UHFFFAOYSA-N 406.438 3.867 0 1 HHAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc(C(N)=O)c3[nH]2)c1 587147549 SXJJTHYZWFFCNN-UHFFFAOYSA-N 405.385 3.842 0 1 HHAF CCc1cc(=O)oc2cc(OC[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc12 587450839 GRTIVCNZLDHLJF-KOSHJBKYSA-N 406.434 3.949 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OCC(N)=O)c(OC)c1)CC2=O 587459202 GVAMYLJRMCCXQY-QGZVFWFLSA-N 419.861 3.577 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCNC(C)=O)c(OC)c1)CC2=O 587471299 QMPDMSABRJJKBV-NRFANRHFSA-N 413.470 3.575 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CCC(=O)OCC)C(=O)OCC)CC2=O 587481363 LRKQKWFMMPDORR-OPAMFIHVSA-N 406.475 3.591 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 587598445 XTQYSCRIJNEBIR-NZQKXSOJSA-N 422.389 3.567 0 1 HHAF O=C1C[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CO1 587618979 VWKKQBBOVXBSLU-FBOFTVOISA-N 402.402 3.812 0 1 HHAF COC(=O)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 587769357 FWAGKANVBZPIIC-QFYYESIMSA-N 418.266 3.646 0 1 HHAF COc1ccc(C[C@@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC 587926664 MWUJTUIEILTGTL-CQSZACIVSA-N 406.486 3.682 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 587938768 ZWJMWTQKJWYALZ-DYZYQPBXSA-N 419.275 3.958 0 1 HHAF Cn1ccc(-c2ccc([C@@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)cc2)n1 962666188 MMJOPQIBXODAEQ-RDGATRHJSA-N 412.493 3.823 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3c(c2)OC(F)(F)O3)N1 962706296 XCMWKCYFXJXZCY-WFASDCNBSA-N 419.277 3.854 0 1 HHAF Cc1nc(Cl)cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1 962926858 NFAKDKXCPDKQBK-AZUAARDMSA-N 411.845 3.625 0 1 HHAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccccc5)c(F)c4)c12)CCC3 1857577156 NSTWDUXVTYXBJD-UHFFFAOYSA-N 401.445 3.642 0 1 HHAF COc1ccc(C[C@H](O)[C@@H]2CO[C@H](Cc3ccc(OC)c(OC)c3)[C@@H]2C)cc1OC 2356572943 SWGSNNIJAYRWAL-HCBXPFHNSA-N 416.514 3.518 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2OC[C@]3(C)CCC[C@]1(C)[C@@H]23 2356631545 GAOMOYCMAISIED-RBWIMXSLSA-N 418.574 3.928 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 6332292 OOYHHUNRQPNUKT-GJZGRUSLSA-N 401.532 3.576 0 3 HHAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055900 DSBLOZMBPHVCER-FWQLUELVSA-N 400.906 3.955 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCN(CC)CC 4152495 CQWLJDNIMHYDMQ-PZJWPPBQSA-N 415.559 3.697 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOCCO 4213615 CUQSYUBATGNLIW-MOPGFXCFSA-N 414.905 3.618 0 1 HHAF O=S(=O)(Nc1c(Br)cc(Br)c2cccnc12)C1CC1 13815851 GUYUSEFWQSDYES-UHFFFAOYSA-N 406.099 3.664 0 1 HHAF COc1cc(=O)oc2cc(O)c(-c3c(O)cc4oc(=O)cc(OC)c4c3C)c(C)c12 14560132 KUAZKXCKFDVOGA-UHFFFAOYSA-N 410.378 3.612 0 1 HHAF biogenic COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@@H](C)[C@H](C)C2 15270686 CWTKKMAJNZCARV-LIBAHTEVSA-N 402.443 3.675 0 1 HHAF biogenic COc1ccc(Sc2ccc(OC)cc2N2C[C@@H](C)N(CC(=O)O)C[C@H]2C)cc1 40533255 XUKXXBVOWRNHFL-HZPDHXFCSA-N 416.543 3.839 0 1 HHAF COc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1 40834078 KWGRVVZSKCENNC-UHFFFAOYSA-N 415.335 3.699 0 1 HHAF O=C(CNC(=O)c1ccc(F)cc1)NC[C@H]1c2ccccc2COc2ccc(F)cc21 40918520 CRKSLOZUCXTFQG-NRFANRHFSA-N 422.431 3.535 0 1 HHAF O=C(c1ccccc1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72100995 BZPMQUUNRDPQNP-NRFANRHFSA-N 410.880 3.817 0 1 HHAF COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N(C)Cc3ccccc3)n2)cc1 82067148 DZNYBDORFROOCW-HXUWFJFHSA-N 421.501 3.900 0 1 HHAF COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 96173231 VCQZWKULQGJYDC-SVMVAKDDSA-N 422.953 3.701 0 1 HHAF CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C 96272212 RSEPHLOGMONLPT-OFNKIYASSA-N 422.997 3.973 0 1 HHAF CCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O 96273415 PDNHJKLSBCGGCT-UHFFFAOYSA-N 410.562 3.579 0 1 HHAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(CC)cc12 96908245 DVFWRDGEWDQGNU-UHFFFAOYSA-N 410.562 3.947 0 1 HHAF O=C1c2ccccc2CC[C@H]1CNCCc1ccc(O)c([125I])c1 100057482 DUOOAUBZMQZYLO-BDLABIFASA-N 419.279 3.574 0 1 HHAF in-vitro N[C@H]1C[C@@H](N2Cc3cnn(-c4ccccc4)c3C2)CCO[C@@H]1c1cc(F)ccc1F 144194816 HYYNKMBJAHIQSY-AVCGJXAMSA-N 410.468 3.714 0 1 HHAF Nc1ccc(-c2ccccc2)nc1NC(=O)c1cnc2cc(N3CCNCC3)ccc2c1 144592170 GGYZSUWEIGXFHC-UHFFFAOYSA-N 424.508 3.541 0 1 HHAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCC(=O)NO 147372760 VICGYCJTRDYPSI-UHFFFAOYSA-N 410.565 3.651 0 1 HHAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@H](C)c2ccccc2)CN1C 299846073 GSLCCWKXRCGUBW-MRXNPFEDSA-N 415.925 3.969 0 1 HHAF Cc1ccnc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 587107603 CXEYOKVDDCJXIC-CYBMUJFWSA-N 410.421 3.811 0 1 HHAF FC(F)(F)c1nn(CCc2nc3c(S)nc(S)nc3[nH]2)c(C2CC2)c1Cl 587116390 FOVAMJDVKYUOQG-UHFFFAOYSA-N 420.873 3.919 0 1 HHAF COC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1OC 587235070 FLSFQQKNJVCWNX-TZMCWYRMSA-N 403.479 3.909 0 1 HHAF C[C@@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341201 IQWJHWGTLODZMV-GGAORHGYSA-N 416.412 3.781 0 1 HHAF CCOC(=O)C[C@@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346215 IAFMEAYQYIMBLI-RBBKRZOGSA-N 402.418 3.619 0 1 HHAF COc1cc(OCCCC(=O)O)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587402277 WSVWZGLIZMKYJL-LJQANCHMSA-N 415.442 3.545 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2ccccc21 587412695 OAOUKOXXWHZMLW-ZJSXRUAMSA-N 401.418 3.846 0 1 HHAF COC(=O)c1ccc(C=O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595793 TVVNLXQAIAQDSA-SIKLNZKXSA-N 404.374 3.694 0 1 HHAF C[C@@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609017 UHERVBUPFFWMHC-OFNKIYASSA-N 424.474 3.814 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc2ccccc2s1)C(O)O 587617121 IQTSQZYRWDEHMY-CVDCTZTESA-N 420.442 3.775 0 1 HHAF O=C(CCn1nc(C(F)(F)F)cc1C1CC1)n1ncc2ccc(Cl)cc2c1=O 587651109 CTOHYDNJKOBTLC-UHFFFAOYSA-N 410.783 3.873 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 587707048 SHLMHSJGNOLUCH-BJOHPYRUSA-N 406.221 3.856 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@H](c2cccnc2)N(c2ccccc2)[C@H]1c1cccnc1 653793861 HAOGGTWLSZGSCY-MZYLBHOOSA-N 401.466 3.918 0 1 HHAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(Cl)c3)O2)n1 653905297 YJKQPOPYTGHBQN-HSMRXVHUSA-N 409.891 3.791 0 1 HHAF CCOC(=O)CCOc1ccc([C@]2(C)NCCc3cnc4c(OC)cccc4c32)cc1 963040364 WOSVSVYBAJYDJQ-VWLOTQADSA-N 420.509 3.985 0 1 HHAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(C)c3)ncc12 1772625972 IDGYIJXCEZSTEE-SNVBAGLBSA-N 402.842 3.981 0 1 HHAF COc1cc(-n2c3c(c4nc[nH]c(=N)c42)CCC3)ccc1CC(=O)Nc1ccccc1 1857554769 UWEOYUWEWDOHAI-UHFFFAOYSA-N 413.481 3.512 0 1 HHAF C[C@]1(O)CCN(Cc2cccnc2)[C@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356289433 VSPSOGBFHOXYCS-CUYJMHBOSA-N 419.500 3.717 0 1 HHAF C[C@H](O)CCCC=CCCC(=O)C[C@@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O 2356445229 YXATYAXRBGTMSM-XJUOHMSHSA-N 420.546 3.645 0 1 HHAF O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F 866931 GXJCHNMTEZVNMR-NHCYSSNCSA-N 418.803 3.699 0 1 HHAF CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 2487717 PRPWXCKFVBUPJT-ICSRJNTNSA-N 402.535 3.846 0 1 HHAF CC(=O)Nc1ccccc1-c1nc(CNC(=O)c2cccc(-n3cccn3)c2)c(C)o1 11996430 WXYRWBPQVJASLC-UHFFFAOYSA-N 415.453 3.724 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C 14927155 WQOZGNFAVRFSGE-JBXAMGLOSA-N 416.514 3.626 0 1 HHAF endogenous,in-man c1cnc(CCc2ccncc2)c(-c2nnc(NCc3ccc4c(c3)OCO4)o2)c1 14946608 VBWJHDNMLSZEGW-UHFFFAOYSA-N 401.426 3.653 0 1 HHAF COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CC(C)C)CC(=O)N12 15956257 SGMWLTUYJPCZHQ-YKSBVNFPSA-N 417.509 3.517 0 1 HHAF biogenic CCCCC[C@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 26826575 TTXUYTXVESVGKP-KNQAVFIVSA-N 420.575 3.578 0 1 HHAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)C[C@H](N)c2ccc(OC)cc2)CC1 28703173 QCXLPRYYFORIOD-QFIPXVFZSA-N 409.530 3.519 0 1 HHAF O=c1cc(NC[C@H](CO)CNCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 40404838 XXLYHHFIQIFYPP-CQSZACIVSA-N 406.313 3.645 0 1 HHAF COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC[C@@H](C)O)c1 40933247 FUVQIMGBMUYTHK-CQSZACIVSA-N 416.522 3.912 0 1 HHAF COc1ccc(C2=NN(C(=O)CO[N+](=O)[O-])[C@@H](c3c(Cl)cccc3Cl)C2)cc1 43020454 BHPGDTLJKPTRSX-MRXNPFEDSA-N 424.240 3.888 0 1 HHAF C=CC1=C(C(=O)N2CCN(c3cccc(OC)c3)CC2)[C@H](c2ccc(OC)cc2)OC1 82158500 OGQSVLZQUGHTIX-DEOSSOPVSA-N 420.509 3.607 0 1 HHAF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC1=S 103229850 UKFYQVHQJXQKLS-ZSFFSCSXSA-N 418.474 3.700 0 1 HHAF Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)on1 169311676 PMPZPZZBBKOFKH-UHFFFAOYSA-N 405.863 3.714 0 1 HHAF COC[C@H](c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 216304641 AZYYSNBRKYPRHK-GOSISDBHSA-N 411.955 3.511 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F 261189955 YTSQUJOXQNTPEU-YHQUGGNUSA-N 415.914 3.620 0 1 HHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586940258 YFBJBDPJELXNLS-SNVBAGLBSA-N 409.414 3.628 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc3c(c2[nH]1)CCCC3 586965029 HWIISTXDYFJHEV-UHFFFAOYSA-N 407.547 3.899 0 1 HHAF Fc1cnc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 587085292 RCVJKZIJLGKEGL-UHFFFAOYSA-N 411.666 3.687 0 1 HHAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(O)nc(O)nc2[nH]1 587121447 DUZSCSGCVQCMDR-UHFFFAOYSA-N 409.349 3.762 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 587123444 IJLHAEBJIUKHTN-SJCJKPOMSA-N 420.439 3.566 0 1 HHAF COC(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370557 GBZOZYSLGBUURR-LJQANCHMSA-N 404.260 3.764 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587375940 WCDFXWMJFBJANG-LRXVAGHRSA-N 416.470 3.945 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)O2 587382029 MOIXGKFLCPINNM-SFHVURJKSA-N 413.417 3.501 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCOCC3)nc1Cl)CC2=O 587494716 NKVZLWAPHLKXNA-OAHLLOKOSA-N 408.907 3.998 0 1 HHAF CC(=O)N1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587512799 FLJZFAOVDJVJQS-XMMPIXPASA-N 404.510 3.940 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587789191 AKGUFFUMNYXEHE-APBUJDDRSA-N 405.267 3.717 0 1 HHAF COc1cccc(C(=O)c2ccc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2)c1 587933219 ZIOJCTOLHPDWDX-UHFFFAOYSA-N 408.435 3.716 0 1 HHAF Cc1sc2c(c1C)CCN[C@]21C(C(=O)O)=CN2c3c1cc(F)c(F)c3OC[C@@H]2C 963013050 HXQHNBCXAXBAJN-JLTPVHFHSA-N 418.465 3.602 0 1 HHAF C[C@H](C(=O)O)n1cc([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963031545 RBNMGORSPSQBKT-JPMUSVJPSA-N 403.482 3.604 0 1 HHAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963487086 BMUPQZMVRPGYQK-OAWZGRKZSA-N 423.509 3.642 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(Cl)c1 1857541904 RIWYOVKISIDARC-FQEVSTJZSA-N 411.889 3.954 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356305906 SDJCBWBHYHJOKV-CABCVRRESA-N 416.497 3.700 0 1 HHAF CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCOC 4207024 WUKAYFMVPRWIEX-TZIWHRDSSA-N 416.905 3.983 0 1 HHAF CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1 4239005 SKKFKUAVPVKKER-UHFFFAOYSA-N 409.852 3.760 0 1 HHAF COC(=O)/C1=C\CC[C@@](C)(OC)[C@@H](O)CC/C(C(=O)OC)=C\C=C(/C(C)C)CC1 13483404 ZCQHIVUOFDKQRZ-KTQYOKFHSA-N 408.535 3.888 0 1 HHAF CCn1nc(C)cc1C(=O)NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 20684121 UREQVZOLARBHNV-HSZRJFAPSA-N 422.504 3.716 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)cc4)c3c2)cc1 45227397 RQZLWHQXUCPMBM-UHFFFAOYSA-N 407.451 3.967 0 1 HHAF CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2ccc3c(c2C1)C(=O)NC3 45338607 LBJTUHVRXHPERP-SFHVURJKSA-N 407.489 3.809 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21 45353072 IKNKRWFBAPZVTP-UHFFFAOYSA-N 400.438 3.733 0 1 HHAF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2cc(Cl)ccc12 49785552 FRCKPKSCOKJLHN-UHFFFAOYSA-N 415.906 3.610 0 1 HHAF O=c1cc(-c2ccc(Cl)cn2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 59083199 QFRQJQDJGCEJRQ-UHFFFAOYSA-N 419.916 3.998 0 1 HHAF C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)C)C3)c1ccccc1 64513172 BVGZQNBERZRYJK-OJXHRBAXSA-N 421.570 3.867 0 1 HHAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCc1ccccn1 82070268 ROPHCEFWVCQTGE-LJQANCHMSA-N 409.511 3.745 0 1 HHAF COc1ccccc1CCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccco1 82216549 SZFJPSKOFRRVPC-UHFFFAOYSA-N 408.502 3.810 0 1 HHAF O=C(c1cscn1)N1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1 84604849 DGYNULKJZDIPOV-UHFFFAOYSA-N 419.510 3.620 0 1 HHAF C[C@H](O)CCC/C=C/CCC(=O)C[C@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O 85597045 YXATYAXRBGTMSM-BIHLSCHISA-N 420.546 3.645 0 1 HHAF Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3F)cc2)c1 100106940 ISGHLALDZUIYKW-BKFWDETESA-N 422.525 3.930 0 1 HHAF COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(C)c1OC 141946437 SQTKRHOZPBVODP-GDBMZVCRSA-N 407.470 3.526 0 1 HHAF FC1(F)CCN(c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)C1 146918261 PUECCXYFENBHTK-BETUJISGSA-N 403.458 3.954 0 1 HHAF O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(Cl)cc2)C1 261191798 ZLNYEWDUKJWZID-UHFFFAOYSA-N 406.920 3.574 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccnc3[nH]2)c1 586930248 INGFFTMXGPHUOO-UHFFFAOYSA-N 413.547 3.646 0 1 HHAF N=C(N)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586959294 JKKQSYNZPKXAEN-KPOBHBOGSA-N 423.542 3.541 0 1 HHAF C[C@@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344218 WMJNNINLCPUMSC-GGAORHGYSA-N 416.412 3.781 0 1 HHAF CCc1cccc2c([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn(CC(=O)O)c12 587430205 FVRVAYASZLPGCB-OSPHWJPCSA-N 405.450 3.960 0 1 HHAF O=C(O)C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)C1 587580746 DGYBPQVGJYTFEH-REWPJTCUSA-N 417.417 3.616 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)o1 587599092 ZGRSIBWXKNOXIV-NZQKXSOJSA-N 407.422 3.520 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCC(=O)O)N1 587789790 CSNDFACNFMJJGJ-WLRWDXFRSA-N 408.267 3.849 0 1 HHAF COC[C@]1(CCCCC2OCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832734 KRMAZNVBXHLZCO-DJJJIMSYSA-N 416.331 3.897 0 1 HHAF CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832787 CXVORFWHCDPKGV-BLVKFPJESA-N 414.315 3.698 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 587843971 VKAQVMBWENHFMU-GIGQVBGESA-N 404.235 3.727 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2n(C)c1=O 587864080 WZJLJJJBEWLTCK-UHFFFAOYSA-N 400.360 3.814 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)NC(=O)OC(C)(C)C 587867866 PMFVGQHFHRDIJE-SNVBAGLBSA-N 414.384 3.526 0 1 HHAF COc1ccc(-n2cccc2[C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1Cl 962918647 JHKULXATPVCXAT-JXFKEZNVSA-N 400.837 3.967 0 1 HHAF CCN1C[C@@H]2CC[C@H](C1)C21N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192072 YHGZVQYTZBWRAX-DYSMTPBMSA-N 402.844 3.515 0 1 HHAF CC(C)(C)OC(=O)N1CCC([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)CC1 963226279 DQWQCHQSUQIMJH-VQTJNVASSA-N 411.502 3.522 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cn2cnc(-c3ccccc3)c2)cc1 1772611846 MZAUKRAJIRAGEH-UHFFFAOYSA-N 421.526 3.750 0 1 HHAF Cc1nn(C)cc1N(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2cc[nH]n2)cc1 1857555343 FEMYRIZAVZKALS-RTBURBONSA-N 405.502 3.771 0 1 HHAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3sc(C)nc3C)c2)cs1 1857584883 WMSHPCCMTRXJJP-UHFFFAOYSA-N 408.530 3.643 0 1 HHAF O=C1C[C@@H](c2ccc3c(c2)OCO3)N=C2N(CC3CC3)C/C(=C/c3ccccc3)N12 205704405 JAUIHVFPSOWXJC-SOFZFKJRSA-N 401.466 3.811 0 3 HHAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 28827430 OCKSPPHQWAREQY-UHFFFAOYSA-N 420.293 3.788 0 1 HHAF CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCN)c2)cc1 49032201 WPYHDPQPDIBIDG-UHFFFAOYSA-N 418.563 3.690 0 1 HHAF COCCO[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O 49793219 HFRHOXTVZFXPQL-GOSISDBHSA-N 423.694 3.881 0 1 HHAF CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)CN(C)[C@@H]2c1ccc(Cl)cc1)C(=O)OC 58506704 CUPIZYRWWZBTQB-ZYSHUDEJSA-N 421.969 3.706 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2ccccc21 66123536 ZLEYVJQFPLOJRX-CPJSRVTESA-N 421.493 3.996 0 1 HHAF CCOc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](C)CN3)cc1 82211796 UUZBQSBCIXBJMF-MRXNPFEDSA-N 412.534 3.588 0 1 HHAF Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCn2cncc2C1 95592137 LBFNEEFRYLCLDA-UHFFFAOYSA-N 406.273 3.680 0 1 HHAF COC(=O)[C@@H](CC(C)C)Nc1nc(SCc2ccccc2)nc2nc(N)sc12 95605521 WFPLQCUVOVCACX-CYBMUJFWSA-N 417.560 3.960 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5c(F)cccc54)ccc31)[C@H]1CC[C@@H](C2)N1 96175173 UAMFLVKHUFKFFW-SCLBCKFNSA-N 409.486 3.858 0 1 HHAF Cn1cnc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc21 147829519 MTEITOZYPBOPON-UHFFFAOYSA-N 409.449 3.861 0 1 HHAF O=C(CNC(=O)c1ccccc1)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167475136 SDASGLQWVNYGKY-UHFFFAOYSA-N 414.465 3.603 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccccc2)cc1 169586068 AGPADCZTLLHBPM-JTHBVZDNSA-N 403.507 3.862 0 1 HHAF O=S(=O)(/C=C/c1ccccc1Cl)c1ccc(OCCCN2CCOCC2)cc1 205677212 FEBCCRCLYDHYOO-LICLKQGHSA-N 421.946 3.886 0 1 HHAF Cc1cccc(-c2noc([C@@H]3CCN3C(=O)c3cc(C)ccc3-n3nccn3)n2)c1 218116361 NKQZQHLEYPDUFU-IBGZPJMESA-N 400.442 3.521 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@H]2CC[C@H]1N2C 253681845 ABXUYGWOEIXKBD-CPWDUDTCSA-N 411.283 3.832 0 1 HHAF O=S(=O)(NCCCCN1CC[C@@H]2CCCC[C@H]2C1)c1cnc2ccccc2c1 254121011 WXBBAKXKWONHGS-ICSRJNTNSA-N 401.576 3.805 0 1 HHAF O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 299812862 DZSBJQYROJIKMG-WTGUMLROSA-N 407.894 3.708 0 1 HHAF Cc1c(Br)cnc2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc12 587111766 OULNYDFDYHROHA-UHFFFAOYSA-N 413.197 3.978 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587126109 VHBOIYWUQXFTAE-XPTSAGLGSA-N 413.425 3.528 0 1 HHAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587234727 IIIWXPBALLUGJD-OLZOCXBDSA-N 400.276 3.754 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C 587239947 PGIBWTPKNGBBSE-WLCUFGOBSA-N 407.902 3.513 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCO)[C@@H](C2)C3=O 587411532 DENFHUABCSHCKU-YWZLYKJASA-N 419.271 3.708 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)OCC)(C(C)(C)C)CC2=O 587472189 YQFGXIGRARSRIP-QHCPKHFHSA-N 419.518 3.554 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](CC(=O)OCC)C(=O)OCC)CC2=O 587481532 NATKJPOQQOSUPB-JLCFBVMHSA-N 406.475 3.591 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582979 SGUUPWOTSJOBRV-REWPJTCUSA-N 422.437 3.557 0 1 HHAF COC(=O)[C@@]1(Cc2c(C)[nH]c3cccc(F)c23)CN(C(=O)OC(C)(C)C)CCC1=O 587637011 SQGRUCCEMPLMFI-QFIPXVFZSA-N 418.465 3.527 0 1 HHAF Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587711999 ZDZQRWVIICWIMQ-VXJOIVPMSA-N 406.221 3.970 0 1 HHAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-n1cnnc1 587757036 UEINKVLCWWMVPD-MLCYQJTMSA-N 404.287 3.533 0 1 HHAF COc1cc([C@H]2NCCc3c(C(=O)O)cccc32)ccc1OC(=O)c1ccccc1F 963126585 WBFFDAYNAZTCFY-JOCHJYFZSA-N 421.424 3.987 0 1 HHAF CC(C)(C)OC(=O)NCc1ccccc1/C=C/S(=O)(=O)NCc1ccc(F)cc1 96020295 JEQYPOKMMRXJKR-OUKQBFOZSA-N 420.506 3.941 0 3 HHAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccc2nsnc12 199358929 WJBWWMGNRURRPC-KRWDZBQOSA-N 414.918 3.656 0 3 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC 4049112 JFHKUZRNTWPNKX-JTHBVZDNSA-N 409.530 3.635 0 1 HHAF CCN(CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 4909645 KMEZOVJMUCBDTD-GOTSBHOMSA-N 418.541 3.536 0 1 HHAF COC(=O)C1=C(O)c2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)C1 6411734 MSQSANFQTDQCCM-ZDUSSCGKSA-N 400.427 3.699 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@@H](c3ccccc3F)C[C@@H]2C1 29414391 KUJMNMMGYFPINT-SOUVJXGZSA-N 417.912 3.820 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2c(NC3CCNCC3)cccc12 35285431 PLHGSALKLMFFMV-UHFFFAOYSA-N 406.511 3.713 0 1 HHAF Nc1scc(CN2CCN(c3ccccn3)CC2)c1C(=O)c1ccc(Cl)cc1 40953957 LRNXGDCNTQAXDV-UHFFFAOYSA-N 412.946 3.932 0 1 HHAF COc1c(C)cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3nccnc32)cc1C 68248188 BICGYFRWDDPYEI-VWLOTQADSA-N 422.492 3.570 0 1 HHAF in-vitro CC(=O)N[C@@H](CSC/C=C(\C)COc1ccc(Cc2ccccc2)cc1)C(=O)O 72114460 BBKGNDXVWMPTMI-PFSBYRDKSA-N 413.539 3.925 0 1 HHAF COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccc(F)cc1 72177896 CSKQRYDHSWCZPZ-UHFFFAOYSA-N 420.893 3.921 0 1 HHAF O=C(Nc1ccc(F)c(F)c1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 103303119 KKUPIUJNLQIEQB-UHFFFAOYSA-N 417.322 3.923 0 1 HHAF COCc1cccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142232098 MJIUHQWVBSHJGO-KPKJPENVSA-N 408.479 3.713 0 1 HHAF COC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142433446 MWBVINUYAQUKCO-MGPLVRAMSA-N 400.233 3.930 0 1 HHAF NCc1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)cc1 166892518 WVQSPARLAONXET-UHFFFAOYSA-N 418.472 3.762 0 1 HHAF O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727235 GYYHVMFYWXLBJF-FYYLOGMGSA-N 404.510 3.989 0 1 HHAF COc1ccc(-c2cnc3c(NS(=O)(=O)c4ccc(C)cc4)nccn23)cc1OC 206587448 VQAJAJGQEOGNEI-UHFFFAOYSA-N 424.482 3.523 0 1 HHAF NC1=N[C@@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2Cl)[C@@H]2C[C@@H]2O1 226086512 PHALMLPUYSAMCZ-MRAWALMUSA-N 409.248 3.539 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2cc(F)cnc2[nH]1)c1cc(F)ccc1F 587140765 QCSQUKKWHJMUCY-UHFFFAOYSA-N 404.373 3.843 0 1 HHAF O=S(=O)(Nc1cc(-c2nc3ccnc(O)c3[nH]2)ccc1Cl)c1ccc(F)cc1 587171443 OFYRGNKCGXOVRN-UHFFFAOYSA-N 418.837 3.924 0 1 HHAF CN(C)C(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587198815 RFJNFJYDYVBBLN-UHFFFAOYSA-N 413.481 3.791 0 1 HHAF COc1cncc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587230250 BMQYRTSPFONOTN-UHFFFAOYSA-N 403.442 3.856 0 1 HHAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587357364 NDNCATYUDLYRQX-LADGPHEKSA-N 422.408 3.549 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587378652 WMZMWRNMXMBHSP-LJQANCHMSA-N 404.260 3.764 0 1 HHAF CCc1c(C)[nH]c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](CN1CCOCC1)CC2 587398477 HSDBLYMRRNWVGZ-NSYGIPOTSA-N 423.557 3.531 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)O2 587407897 CORZWFZOPSARGE-QHCPKHFHSA-N 407.491 3.890 0 1 HHAF COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426906 AOIQBLFFHHSTTK-JWCWZOIMSA-N 405.491 3.521 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)c4cc(C)on4)c1)[C@@H](C2)C3=O 587431429 GEEAWIILWOTCGN-GAJHUEQPSA-N 404.422 3.907 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1O 587589849 AWRQEQAQKJQWHD-NFBKMPQASA-N 408.406 3.992 0 1 HHAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Br)cc1 587636808 JOBCZHHMTLFVDY-UHFFFAOYSA-N 402.200 3.646 0 1 HHAF CC(=O)Nc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660027 MKYNZCHSEFXGFZ-UHFFFAOYSA-N 401.397 3.850 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 587708163 ZNTMFCWNPMOLAU-BJOHPYRUSA-N 406.221 3.856 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 587744732 IHANOLMYQJWWTH-NSPYISDASA-N 407.283 3.813 0 1 HHAF Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2cccc(C)c2)cc1 653854416 JIRKUHJZWLLRSN-UHFFFAOYSA-N 410.514 3.516 0 1 HHAF N[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5cccnc45)c3c2)C1 1857747350 NMQKWQSHBDMICR-JKSUJKDBSA-N 400.486 3.733 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2nccs2)CC[C@@]1(C)O 2356289634 PUVIKKRNTKUTEP-NLWGTHIKSA-N 407.605 3.824 0 1 HHAF CSc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCCC2)c1 2356298405 BDGXBRNIWZVPHM-QWFCFKBJSA-N 402.608 3.726 0 1 HHAF CC1=C[C@H](CN2CCC[C@@H]2CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356485106 SXGRCAWNAYOVNS-CBPXPLCBSA-N 410.562 3.985 0 1 HHAF O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)C=Cc2ccccc2)CCCCN1 2356506029 YCGJAANQHNQGOR-QHCPKHFHSA-N 405.542 3.550 0 1 HHAF O=C1N(Cc2ccccc2)C[C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)CCN12 2356520673 VIRFTEXDLUMNQW-SFHVURJKSA-N 405.420 3.707 0 1 HHAF CC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 7992815 WYHAWLKQKQSYOD-CJAUYULYSA-N 401.510 3.615 0 3 HHAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2n1 5093586 LFDIHGUJUJLZQP-HEHGZKQESA-N 402.564 3.699 0 1 HHAF O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@@H](O)c2cccs2)CC1 12099984 HIIRPOXVQKMFQY-UYAOXDASSA-N 402.491 3.547 0 1 HHAF COC(=O)[C@@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 13449303 NAOJWBQWHLDXAK-YJBOKZPZSA-N 413.345 3.554 0 1 HHAF CCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 13745240 UDHCGLWDZIOGOU-UHFFFAOYSA-N 406.555 3.570 0 1 HHAF COC/C=C/c1cc(O)c2c(c1)[C@H](COC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 15153017 IWDGCLQHHMDLRR-TYNOOCNWSA-N 414.454 3.849 0 1 HHAF O=C1N[C@@H](c2c[nH]c3cc(Br)ccc23)CN[C@H]1c1c[nH]c2ccccc12 15266898 ZUARLAYXSWWXPU-MOPGFXCFSA-N 409.287 3.914 0 1 HHAF biogenic CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)c2cccs2)c1=O 25214180 JCSWZDOSZCSXLZ-CABCVRRESA-N 413.543 3.544 0 1 HHAF biogenic CCN1C(=O)c2nc(Cl)n(Cc3ccccc3)c2N2C[C@@H](Cc3ccccc3)N=C12 28522209 BMHSVAISHUJTSU-GOSISDBHSA-N 419.916 3.848 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCCO2)cn1 34717768 WXJOPUMLDHSETD-QHCPKHFHSA-N 408.454 3.843 0 1 HHAF COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)n1 58583048 UFOUBQFURYZWFE-UHFFFAOYSA-N 417.874 3.797 0 1 HHAF CC[C@H](CO)N(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C 73223772 QGPCDFKIMCDKSK-HXUWFJFHSA-N 411.546 3.570 0 1 HHAF C[C@H](Oc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C)C(=O)O 73224116 SICNENCRWGUJCE-AWEZNQCLSA-N 416.437 3.740 0 1 HHAF CN(C)CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 95592124 JSQFSGVDRQVIPG-UHFFFAOYSA-N 412.497 3.727 0 1 HHAF O=C(C1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95878637 MWKSBEGZIHONLC-VJBMBRPKSA-N 410.489 3.595 0 1 HHAF Cc1ncc([N+](=O)[O-])n1CCn1cc(Cn2c3ccccc3c3ccccc32)nn1 220862454 WYHWNIJGDUGMLC-UHFFFAOYSA-N 401.430 3.548 0 1 HHAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(C(F)(F)F)cn4)[C@@H]3C2)nc2ccccc21 261092657 DTMCLRWXKBKQIR-ZSHCYNCHSA-N 402.420 3.744 0 1 HHAF O=C(CSc1n[nH]c(-c2ccccc2C(=O)O)n1)Nc1nc2ccccc2s1 473124789 XDAKTDQGVCHONK-UHFFFAOYSA-N 411.468 3.510 0 1 HHAF in-vitro CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccnc(O)c3[nH]2)c1C 587166441 ZMTORGUWSDPXOJ-UHFFFAOYSA-N 408.433 3.999 0 1 HHAF Cn1ccnc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344162 WCIZDNMXSDRJKB-XUZZJYLKSA-N 415.424 3.963 0 1 HHAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587613268 XVEVNGNZPNNPAJ-CPUMGYLUSA-N 422.433 3.573 0 1 HHAF C[C@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613616 OEHKFMFQCLFLTR-PGRDOPGGSA-N 406.463 3.925 0 1 HHAF CCN(C(C)=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587615624 XHYIPDPATLHIDQ-PXNSSMCTSA-N 410.451 3.924 0 1 HHAF NS(=O)(=O)c1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784668 UHUHPNCINJCYSM-SDNWHVSQSA-N 405.479 3.960 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2c1 587786790 GNRUUYQCIPOMSM-UHFFFAOYSA-N 403.504 3.586 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CNC2CCCC2)(c2ccccc2)N1 962979497 SMILYDGVBFABLJ-PGRDOPGGSA-N 420.887 3.993 0 1 HHAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3ccnc(C)n3)c12 1772630342 SUVKYYVCDITHJM-GFCCVEGCSA-N 403.446 3.615 0 1 HHAF Cc1nc([C@@H](CCN)NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)[nH]2)sc1CO 1772642598 BNIFECWRLAMHCT-MRXNPFEDSA-N 422.913 3.551 0 1 HHAF COc1cc([C@H]2Oc3cc(C=CCO)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 2356668478 RGWQWUWITAFJJO-XCLFUZPHSA-N 402.443 3.628 0 1 HHAF CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC 4547008 ZQBQYXNXKBECQU-YIXGJFGDSA-N 416.562 3.801 0 1 HHAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2cccc3ccccc23)O1 13517498 IADWXCHFXIXGKU-HOYKHHGWSA-N 409.482 3.940 0 1 HHAF CCCOc1ccc(NC(=O)CCC)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 28895747 XXMGCVNPSILHKX-UHFFFAOYSA-N 411.506 3.804 0 1 HHAF Cc1ccc(CCCNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C 38346549 JYJFYPANGZFUDB-INIZCTEOSA-N 406.523 3.667 0 1 HHAF CN1CCN(C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2F)CC1 49112910 PWLPJQPAOXJOML-UHFFFAOYSA-N 424.398 3.876 0 1 HHAF COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1 66066453 DIUBLEYZTHWMDJ-UHFFFAOYSA-N 413.499 3.690 0 1 HHAF O=S(=O)(N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1)C(F)(F)F 71317925 JDAJYPUWHXSOJJ-UHFFFAOYSA-N 420.844 3.523 0 1 HHAF COc1cc2nc(N3CCSCC3)nc(NCCc3ccccc3)c2cc1OC 82127521 LHUFEMPVTNWGRF-UHFFFAOYSA-N 410.543 3.855 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 82224374 RHFGBBJAAGEGKE-HXUWFJFHSA-N 404.514 3.531 0 1 HHAF O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC1 84596825 LEXLKGRKCOXTAL-UHFFFAOYSA-N 418.316 3.825 0 1 HHAF O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2ccc(O)cc2oc1=O 103276759 BRQJEWFIJCKYJU-UHFFFAOYSA-N 406.482 3.531 0 1 HHAF NCC1CCN(c2cc3ncccc3cc2NC(=O)c2csc3cncnc23)CC1 113654210 IYZWULIJOWJSKT-UHFFFAOYSA-N 418.526 3.667 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)CCCC3)cc1F 216204852 CSYCAYPODPIXKZ-UHFFFAOYSA-N 411.882 3.626 0 1 HHAF C=CC(=O)Nc1cccc(N(C)c2nc(Nc3ccc(OCCO)cc3)ncc2F)c1 220456030 ODXILZOZURZRHA-UHFFFAOYSA-N 423.448 3.623 0 1 HHAF O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)c1 299824757 WYZLGIYUCJALHS-UHFFFAOYSA-N 418.405 3.661 0 1 HHAF CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(C)cc4)c3cc21 473122501 SNBIMGHDQPZHDY-UHFFFAOYSA-N 406.442 3.933 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)c(F)cc3[nH]2)cc1 587040856 COUSSRMMZUJUNP-QGZVFWFLSA-N 401.463 3.997 0 1 HHAF Nc1ncc(-c2nc3cc(Br)cnc3[nH]2)c(-c2ccccc2Cl)n1 587060359 COGZJFIQVLRPCL-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF NS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094982 LHYYPBIWPOSQJG-UHFFFAOYSA-N 409.311 3.915 0 1 HHAF CN(C)C(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587202832 HWYNJLOUSDYKCF-UHFFFAOYSA-N 407.474 3.782 0 1 HHAF O=C(NCCc1nc2c(Br)cnc(Cl)c2[nH]1)OCc1ccccc1 587228021 DPSZBBBPDHDBAK-UHFFFAOYSA-N 409.671 3.843 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427531 IJIVFHBXBBOLBD-MWTRTKDXSA-N 423.396 3.690 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cccc(Cl)c1)CC2=O 587462955 RVGMUQULOUGQBP-QFIPXVFZSA-N 416.857 3.991 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587582612 QFHJYAJBZKUFMB-BNLBFUSQSA-N 419.481 3.849 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)([C@@H]2CCCNC2)N1 587799821 YWJLLYRUKCWUNP-WAWZGNHOSA-N 404.327 3.761 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4cccc(OC)c4)[nH]c3c2)cc1 587932392 XEFBVGIREMTKTE-UHFFFAOYSA-N 423.494 3.972 0 1 HHAF Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)nc34)cc2)cn1 653838542 VWJSHXLEQJGMPN-UHFFFAOYSA-N 405.408 3.788 0 1 HHAF Cc1c(O)ccc2c1[C@@](C)(c1cc(Br)ccc1Cl)N[C@H](C(=O)O)C2 963530116 ZZSIGNKIHHOZTD-KBXCAEBGSA-N 410.695 3.979 0 1 HHAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1c(OC)cccc1OC 1857600859 GKEANFAYFCYSFQ-NJHWEWLZSA-N 414.454 3.999 0 1 HHAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@@H]1c1cccc(OC)c1 95601615 QTVOEEYDUHTOET-LJQANCHMSA-N 400.475 3.713 0 3 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c1 768791 MTHVMGUDERWAMQ-FPOVZHCZSA-N 414.889 3.689 0 1 HHAF O=c1c2sccc2nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1C1CC1 2932349 CHGDXVDKBYYTML-UHFFFAOYSA-N 416.915 3.747 0 3 HHAF CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 101668542 UIDFTBVOAOGUDZ-KGKIMSSJSA-N 405.542 3.935 0 1 HHAF Nc1ncnc2c1c(-c1cccc(OCC34CCC(CC3)O4)c1)cn2[C@H]1C[C@H](CO)C1 116187182 GGTFGDYZXJIORI-VGWTUOLASA-N 420.513 3.714 0 1 HHAF CCc1nn(Cc2ccnn2CC)c2cccc(NC(=O)c3cnc4ccccn34)c12 117889485 YZQBDBRJSKLRTN-UHFFFAOYSA-N 413.485 3.763 0 1 HHAF CC=C(C)C(=O)Oc1c(O)c(OC)c(O)c2c(=O)c(OC)c(-c3ccccc3)oc12 2356739277 ODAKJIXAIBHVIC-UHFFFAOYSA-N 412.394 3.760 0 1 HHAF O=C(CN1[CH]C=CC=C1c1ccccn1)c1ccc(I)cc1 2356858029 XMSWOVROAHGPOC-UHFFFAOYSA-N 401.227 3.944 0 1 HHAF COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@@H](C)O 72106684 BTHSZOZRVKMONR-WMIOOGDMSA-N 423.575 3.521 0 1 HHAF COc1ccc2c(COc3ccccc3I)cc(=O)oc2c1 31656539 NNRLXVVWRTWMPN-UHFFFAOYSA-N 408.191 3.985 0 1 HHAF CN1CCN(CC(=O)Nc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)CC1 49073479 SMZQDZAECIILRZ-UHFFFAOYSA-N 418.328 3.723 0 1 HHAF COc1cc(C(=O)OCCCCCCOC(=O)c2ccc(O)c(OC)c2)ccc1O 49803631 HMQDKFDLCCFFNU-UHFFFAOYSA-N 418.442 3.689 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 199359024 YIEJDWZZNVGWGH-SFHVURJKSA-N 409.866 3.714 0 3 HHAF CCCc1cn(C[C@@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 199229310 DNUSUAVQDDXZDA-MRXNPFEDSA-N 408.506 3.768 0 3 HHAF CC(C)(OCc1ccccc1)c1nc2nc(N)c(C(N)=O)cc2cc1Br 95552171 SJHVETLGXHWATM-UHFFFAOYSA-N 415.291 3.525 0 1 HHAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2cc3[nH]cnc3cc2C1 96923978 OSGRAXWRUKQVAN-XMMPIXPASA-N 417.601 3.954 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)cc1)O2 238786136 ICAKMJOAKYCHRZ-GBXCKJPGSA-N 406.434 3.656 0 1 HHAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12 96906453 XAGIJOHXUNDGDQ-AEFFLSMTSA-N 423.391 3.959 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC1CC1)[C@@H](c1ccc(I)cc1)C2 253794777 XVJBDXSALDAGPI-ORQFMDKSSA-N 411.283 3.563 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)nc2)N1 587687601 YWWPLYZENLXHGN-FUXBKTLASA-N 401.077 3.764 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587720488 RVQLJRMAIJAYKM-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF CCNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587752699 FECLIMJISIPDEV-YUNKPMOVSA-N 421.310 3.727 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 586902609 AMBRJXHJMQYUOA-UHFFFAOYSA-N 401.488 3.729 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3ccnc(O)c3)c(=O)c3ccccc23)c(O)c1 587665115 MGRCSKVTKVCDTB-UHFFFAOYSA-N 402.454 3.705 0 1 HHAF COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 587239864 OXQPSQCZDOUSMV-HCQWSFJTSA-N 402.495 3.522 0 1 HHAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(C)=O)cc2[nH]1 586979933 GQWCARWMJCLPRQ-UHFFFAOYSA-N 403.232 3.928 0 1 HHAF COC(=O)c1cc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2cc1OC 587144990 UGQIKEADGGKJBP-CYBMUJFWSA-N 422.254 3.502 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587834322 RLVPUYGHIWEJHM-QCYICXJISA-N 408.267 3.504 0 1 HHAF COc1ccccc1C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349506 IRIPGJFNGJMKFU-QPPBQGQZSA-N 422.408 3.965 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C(F)(F)C1 587131744 BVWOYHJZCJZUGH-NSHDSACASA-N 407.396 3.857 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@]31C(=O)Nc2c(C)ccc(Br)c21 963059162 SRENAMLEXORDQE-OAQYLSRUSA-N 424.298 3.656 0 1 HHAF C=CC(=O)Nc1ccccc1[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(F)c(C)c3)nn21 1772626103 NOVYBXHQPJERBM-SFHVURJKSA-N 419.460 3.626 0 1 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 5208270 TWGHXVKHVUGVCO-OWFSUQGBSA-N 410.466 3.648 0 1 HHAF Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4F)C3)CC2)c1C 15066501 RGPICVCADGUCEL-OAQYLSRUSA-N 423.532 3.530 0 3 HHAF O=C(c1ccccc1)[C@@H]1CN(CCCN2CCCCC2)CC[C@@]1(O)c1ccccc1 169318088 HJMGHMRVGGXVHM-AZGAKELHSA-N 406.570 3.955 0 1 HHAF Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)s1 1857540085 LRZDVAKECFLJMA-JKSUJKDBSA-N 400.935 3.678 0 1 HHAF CC(=O)N[C@H]1CC[C@H](Nc2cc(Cl)nn3c(-c4ccc5n[nH]cc5c4)cnc23)CC1 1857594915 IFDGNKABCXNEJL-WKILWMFISA-N 423.908 3.785 0 1 HHAF COc1ccc(Nc2ccnc(N3CCC(NC(=O)c4cccc(C)c4)CC3)n2)cc1 1857638003 UTSYEYSHQBQPRI-UHFFFAOYSA-N 417.513 3.936 0 1 HHAF CCc1c(C(=O)N[C@@H](CO)Cc2ccccc2)[nH]c2ccc(Br)cc12 1857641326 LNWNVNJNWSTQNI-OAHLLOKOSA-N 401.304 3.826 0 1 HHAF FC(F)(F)Oc1ccccc1CCn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857771042 FNSPHEJANZGXCU-UHFFFAOYSA-N 400.364 3.872 0 1 HHAF COc1ccc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC 2356337858 FGPFMACOBGPDPV-IFOZNXLVSA-N 414.454 3.713 0 1 HHAF CC1=C[C@H](CNC(=O)NC2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356410860 UQVYFJVJUWEYSR-VWPQPMDRSA-N 420.642 3.541 0 1 HHAF COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 2708889 ZFWXAHWYXPVAKP-RTWAWAEBSA-N 419.433 3.670 0 1 HHAF CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1 58583568 ZMAXDGACGSGTHV-UHFFFAOYSA-N 407.904 3.874 0 1 HHAF O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(OC(F)(F)F)cc3)ccc2O1 103241904 VFJZTZVTRXMCKY-UHFFFAOYSA-N 409.345 3.526 0 1 HHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]2N3)cc1 100108509 PSPMSICPJSRYNS-LNWKWYTESA-N 418.562 3.932 0 1 HHAF Cc1ccc(OCCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101032151 BCXZCGAWVZYFKS-VXKWHMMOSA-N 418.493 3.568 0 1 HHAF N[C@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1 114710442 JBLVXSZFSLHCDT-IBGZPJMESA-N 423.605 3.684 0 1 HHAF CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C)Cc1cccs1 61929637 YQZMQDXEFJBBKS-UHFFFAOYSA-N 413.591 3.618 0 3 HHAF COc1cc2c(cc1OC)[C@@]1(OC)C(=O)c3ccc4c(c3O[C@H]1CO2)C=CC(C)(C)O4 2356497844 ASZODYHAJFTQPK-RDPSFJRHSA-N 424.449 3.766 0 1 HHAF COc1c2ccoc2c(OCC=C(C)CC[C@H](O)C(C)(C)O)c2oc(=O)ccc12 2356578435 SHNUWMDCCQKKKN-INIZCTEOSA-N 402.443 3.785 0 1 HHAF CC(=CCC[C@](C)(O)CCCC1=CCN(CC(=O)O)C1=O)CCC[C@H](C)CC(=O)O 2356835682 KUDATKSTLWHADF-MBSDFSHPSA-N 423.550 3.769 0 1 HHAF CCOC(=O)CSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 73199653 LVNFQRWCWIFONB-UHFFFAOYSA-N 411.480 3.527 0 1 HHAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3Cl)CC(=O)N21 6395055 AXIAQRDDVQNKEB-LJQANCHMSA-N 407.901 3.852 0 1 HHAF biogenic CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1 72107145 BIUBEDNJWSICKA-UHFFFAOYSA-N 418.501 3.759 0 1 HHAF OC[C@@H](CN1CCc2ccccc2C1)N1CCC(c2noc3cc(F)ccc23)CC1 87722248 AJTFQQUHXJLYJZ-OAQYLSRUSA-N 409.505 3.566 0 1 HHAF Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2NC(=O)NCc1ccccc1 96284885 RATMGGWUORWQNG-QHCPKHFHSA-N 422.492 3.925 0 1 HHAF Nc1ncccc1-c1nc2cccnc2n1-c1cccc(CNC(=O)c2ccccc2)c1 95579061 OIRCVTJQBUXGHJ-UHFFFAOYSA-N 420.476 3.995 0 1 HHAF CCc1nnc([C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 299869065 TXTVBHGTUJEYOU-SFHVURJKSA-N 418.950 3.776 0 1 HHAF Cc1cccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 473162863 VMAMWBMNGYEDOC-SQGPQFPESA-N 404.470 3.821 0 1 HHAF COc1cc(C(N)=O)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1 653695779 DWBMTUNNALZVLR-QGZVFWFLSA-N 420.494 3.611 0 1 HHAF COc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355767 ZWNAXEQQWDXQPJ-REWPJTCUSA-N 408.381 3.879 0 1 HHAF COc1cc2c3c(c1)O[C@](C)([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587438261 OCVUKPYGJZTFJR-DDVAMESESA-N 403.475 3.573 0 1 HHAF Nc1ccc(F)c(Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 587141596 WKWBVFBPEUWIAZ-UHFFFAOYSA-N 400.049 3.795 0 1 HHAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586945394 DYMXIHOIZWHIPZ-UHFFFAOYSA-N 413.402 3.780 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C2=O 587584612 ZHQVMAJOYSQION-HYBUGGRVSA-N 401.418 3.525 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)cc(Cl)c12 587568511 DRGQPIGYYKEPHG-DYESRHJHSA-N 411.772 3.994 0 1 HHAF CCNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587753181 GOPNIJIVJMGXRC-MPBGBICISA-N 421.310 3.727 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2ccc3ncccc3c2[nH]1 587178743 KMUVPPIJFJJCDL-UHFFFAOYSA-N 416.222 3.974 0 1 HHAF CCOC(=O)Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587038218 FBQFBWPBSRTDLW-UHFFFAOYSA-N 403.464 3.534 0 1 HHAF COc1ccc(C2=C[C@]3(c4nn(C)cc4CCN3C)c3c(OC)cccc3O2)cc1 963954017 FYAZUWJEBROOIF-XMMPIXPASA-N 403.482 3.602 0 1 HHAF CC(=O)Oc1ccc(-n2cnc3cc(OC(C)=O)cc(OC(C)=O)c3c2=S)cc1 13685511 QEFJVTSRLWANGJ-UHFFFAOYSA-N 412.423 3.531 0 1 HHAF COc1ccc(F)c(-c2nn(Cc3ccc(F)cc3F)c3c2CN(C(C)=O)CC3)c1 204893184 ODGYEKHQCHJDKO-UHFFFAOYSA-N 415.415 3.929 0 1 HHAF Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@@H](C(N)=O)C1 101107641 RRIWPQTVSGGHDS-IYARVYRRSA-N 413.481 3.536 0 1 HHAF COC(=O)CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857539193 NHFLUQQYYYQQQP-UHFFFAOYSA-N 404.466 3.955 0 1 HHAF O=C(CN1CCC(CCc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 1857545917 DBPKXFJQHZDBFB-RUZDIDTESA-N 405.586 3.722 0 1 HHAF Cc1noc(C)c1-c1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccccn2)cc1 1857635910 CUNVCGUZBWQQEN-FXAWDEMLSA-N 409.467 3.694 0 1 HHAF CCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)NC)cc3)ccc21 1857754747 BKDSPWFCFNBDEY-UHFFFAOYSA-N 421.522 3.653 0 1 HHAF CC1(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CCCC1 148442353 WSHSYFLVJQWDJH-QGZVFWFLSA-N 400.544 3.750 0 1 HHAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCN3CCSCC3)nc(C)nc21 7991782 ROSNHLBDCXMWBN-UHFFFAOYSA-N 414.554 3.812 0 1 HHAF COc1ccccc1C(=O)OC[C@]1(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O1 13704089 FEYVCMAKCJAFOZ-QPLBDWIMSA-N 404.503 3.775 0 1 HHAF C[C@@H](OC(=O)Cc1ccccc1)[C@H]1C(=O)N2S/C(=C/C(=O)OC(C)(C)C)S[C@H]12 26383358 JNSCESNWTXEGCI-BPHLZKHDSA-N 421.540 3.523 0 1 HHAF CCCCCCOc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 43061082 CHDATJPSHSMCLX-UHFFFAOYSA-N 401.334 3.957 0 1 HHAF CC(C)C(=O)N[C@@H](CCN1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1)c1ccccc1 58540739 GBQJLZYRHPOERT-VXNXHJTFSA-N 419.569 3.594 0 1 HHAF CCCCNC(=O)c1cnc(NCCCC)nc1-c1cc(OC)c(OC)c(OC)c1 82143147 IWFKLCGVAZRTIG-UHFFFAOYSA-N 416.522 3.911 0 1 HHAF Fc1cccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)c1 82181557 DFSRIURPMRQUTE-SFHVURJKSA-N 404.449 3.819 0 1 HHAF O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95566496 FVYMDQNVOKPIEP-JEBQAFNWSA-N 405.267 3.578 0 1 HHAF C[C@@H]1C/C=C\C[C@@H](c2ccc3c(c2)OCO3)NC(=O)[C@@H](c2ccccc2)CC(=O)N1 100085072 HVIIOAJZRGDWQM-CHWHLMNKSA-N 406.482 3.601 0 1 HHAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](CC1CCCCC1)[C@@H](NC)CC2 142969998 YGNVNIZMZPPOME-GOTSBHOMSA-N 422.635 3.983 0 1 HHAF O=S(=O)(N[C@H]1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)C1CC1 205710976 AVMITHMUKZOUSW-KRWDZBQOSA-N 400.397 3.976 0 1 HHAF CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=N)N)c1 224884208 BCLONUXXYULIDN-UHFFFAOYSA-N 402.454 3.874 0 1 HHAF C[C@@H]1N[C@H](C)[C@@H](C)N(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)[C@H]1C 253917826 ODRYYALTRCCVOI-DTIDVZRVSA-N 416.736 3.776 0 1 HHAF O=S1(=O)NCc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 261177041 VCXLVYDBFSASMP-BBTUJRGHSA-N 403.592 3.664 0 1 HHAF CCc1nnc([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 299869064 TXTVBHGTUJEYOU-GOSISDBHSA-N 418.950 3.776 0 1 HHAF CCCCc1cc(=O)oc2cc(OCc3nc4c(C(=O)OC)ccnc4[nH]3)ccc12 586918578 OPDPODJLPNIUNT-UHFFFAOYSA-N 407.426 3.773 0 1 HHAF CC(C)Oc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br 586924407 PXHFMTOVORXQMP-UHFFFAOYSA-N 401.326 3.970 0 1 HHAF N[C@@H](Cc1cccc(Br)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586983760 IOIYESRIYGCDPK-QMMMGPOBSA-N 420.620 3.982 0 1 HHAF CCN1C(=O)C[C@@H](c2nc3nc(Br)c[nH]c-3n2)[C@@H]1c1ccccc1Cl 587061963 QCZQPUOZECAYNA-YGRLFVJLSA-N 420.698 3.798 0 1 HHAF Fc1c(Br)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1F 587128521 OIUUFRSDOHQRCB-UHFFFAOYSA-N 401.121 3.646 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cc(C(=O)OC)n1C)CC2=O 587459029 WBLWCZFEOGAADF-INIZCTEOSA-N 422.275 3.939 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccccc1F)CC2=O 587466465 LSBPVECTRVXSJQ-QHCPKHFHSA-N 414.429 3.867 0 1 HHAF CCOc1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522780 HRIZJPBUDWJXQX-VWLOTQADSA-N 422.477 3.957 0 1 HHAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555789 MCEODCPROGYQTB-LAUBAEHRSA-N 400.381 3.865 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570098 KGSIKBXDIVJEBC-XXBNENTESA-N 408.381 3.952 0 1 HHAF O=C(O)C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587613053 XJRSMVZUXFWPIG-CVDCTZTESA-N 402.358 3.610 0 1 HHAF CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 587731194 KTHNVKOZLZOJAB-GIGQVBGESA-N 407.258 3.872 0 1 HHAF COc1ccc(Br)nc1[C@@H]1NCCc2cnc3c(OC)cccc3c21 963059730 UGSAQHKQWLROPU-LJQANCHMSA-N 400.276 3.645 0 1 HHAF COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(=O)(=O)C(F)(F)F 1857594488 AFBMSMLEIOTMDF-UHFFFAOYSA-N 408.785 3.862 0 1 HHAF CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(-c2c(F)cccc2F)n1 1857773872 SGOXMKOKPNQOEZ-JKSUJKDBSA-N 405.426 3.569 0 1 HHAF CC=Cc1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 2356406527 YWJJIZDJLXSKMI-XCLFUZPHSA-N 402.443 3.975 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 199360081 KGNYJQGVVULSGH-GOSISDBHSA-N 409.866 3.714 0 3 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 769531 MKJQIVBKGTXYKS-GMAHTHKFSA-N 421.472 3.935 0 1 HHAF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC 2485027 ZALPOGMROCPSGK-UHFFFAOYSA-N 414.433 3.931 0 1 HHAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOCCO 4213593 MKYUOGLKJFECEB-GOTSBHOMSA-N 412.530 3.979 0 1 HHAF COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@@H]1c1cccs1 6783207 VVLGBOUDDHICNC-PMACEKPBSA-N 407.495 3.709 0 1 HHAF COc1ccc(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)c(OC)c1 6819354 RVBRKSRQFZSMHV-UHFFFAOYSA-N 401.482 3.877 0 1 HHAF O=C(Nc1ncc(Nc2ncnc3c2NCc2ccccc2O3)cn1)c1ccccc1 28564738 RPOCGEOKWIOQID-UHFFFAOYSA-N 411.425 3.980 0 1 HHAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccc(F)cc3)CC1)OCCC2 27730983 JKMCWTUGHVWHSW-QHCPKHFHSA-N 400.494 3.669 0 1 HHAF CCOC(=O)[C@@H](CCC(=O)N1c2ccccc2C[C@@H]1C(=O)O)CCc1ccccc1 28264969 JCUGMLJJIQFNCS-WIYYLYMNSA-N 409.482 3.621 0 1 HHAF C[C@@H](CCCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356870244 XOUBHVKCXRSUEN-FHTKOCPXSA-N 422.606 3.839 0 1 HHAF COc1cccc(C(=O)Nc2cccc([C@@]3(C4CCCCC4)NC(=N)N(C)C3=O)c2)c1 34949743 DMXXMELVGMWDME-XMMPIXPASA-N 420.513 3.719 0 1 HHAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 82177662 ZDPIBHWJOBWCBN-WIYYLYMNSA-N 414.521 3.761 0 1 HHAF Cn1cc(C2=C(c3n[nH]c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21 43014594 VRLQHFFCQXBTRO-UHFFFAOYSA-N 419.444 3.934 0 1 HHAF C[C@@H]1CN(C[C@@H](C)NC(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 40741406 KOYJFOQYVCNACC-MPCDZSKCSA-N 410.558 3.835 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2C)s1 82177445 CJJONUYKAZQKJF-OAHLLOKOSA-N 407.543 3.840 0 1 HHAF Cc1cc(Cc2ccsc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 96271789 CCHQYZAAGWDVKT-UHFFFAOYSA-N 418.316 3.605 0 1 HHAF CC(C)C[C@H](C(N)=O)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 95552820 CFPCZIANBDRPBC-GOSISDBHSA-N 400.972 3.811 0 1 HHAF Cc1ccc(-c2ccc(-c3nc4cc(S(=O)(=O)N5CCOCC5)ccc4[nH]3)cc2)o1 586905669 YEDWYQGEEXWVMJ-UHFFFAOYSA-N 423.494 3.819 0 1 HHAF NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587574448 AXQOAYABXCCEOU-ZJSXRUAMSA-N 414.417 3.535 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587258643 ANDCPVRVVQTJPC-ZDUSSCGKSA-N 408.289 3.971 0 1 HHAF COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590553 SQZHENVGHVKVBQ-HYBUGGRVSA-N 415.401 3.904 0 1 HHAF COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F 587117279 BMOHGZOEUGUAEA-UHFFFAOYSA-N 407.165 3.931 0 1 HHAF CC(=O)NCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613379 OMQJJYWYNFNKGS-DENIHFKCSA-N 409.463 3.967 0 1 HHAF COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587375347 LHKLDXCHLYIBQU-FQEVSTJZSA-N 422.264 3.877 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cc(F)ccc1F)CC2=O 587466642 NAEKNEHCVMKRHX-JOCHJYFZSA-N 418.392 3.616 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)nc12 587147731 YSMUTBZZQKOGPH-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(C(=O)O)(c1ccccc1)C2 587613586 ZTRVYSMYJAFTNC-HLJPNSHOSA-N 402.402 3.909 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)[C@@H](C2)C3=O 587432287 VXLYOWRIGMOPAX-DMGXODIQSA-N 415.445 3.823 0 1 HHAF NS(=O)(=O)c1ccc(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 586930785 YHGIOMPTTAEYEP-UHFFFAOYSA-N 419.812 3.548 0 1 HHAF CS(=O)(=O)C[C@]1(c2cccc(F)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962709458 OBPMFTLCWBGXTG-UTKZUKDTSA-N 423.550 3.617 0 1 HHAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182822 POPUICACBZBLPI-KSSFIOAISA-N 419.827 3.906 0 1 HHAF COc1cc2c(cc1OC)C(=O)N([C@@H]1CCCN(CCCOc3ccccc3)C1)CC2 13558920 HZDSTWAUUJSXGD-HXUWFJFHSA-N 424.541 3.636 0 1 HHAF CCOC(=O)[C@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 169691173 WNXAOOZWDQKMEO-FFOBHKBUSA-N 411.889 3.777 0 1 HHAF Cc1nc([C@H]2CCOC2)c2c(N3CCc4cc(Cl)c(Cl)cc4C3)ncnn12 169711683 DYDAQKJUILVZDI-ZDUSSCGKSA-N 404.301 3.806 0 1 HHAF CCOC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857562141 BSDXKGKCDCKPFP-KRWDZBQOSA-N 400.431 3.726 0 1 HHAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](OCc1ccc(C(C)C)cc1)CC(=O)N2 1857628479 KEWPZLQQPUGOCD-MRXNPFEDSA-N 417.473 3.571 0 1 HHAF CCCOc1ccc(-c2cc(OCCN3CCNCC3)c3cc(OC)ccc3n2)cc1 1857760556 VSSXMBMAMGKMDA-UHFFFAOYSA-N 421.541 3.983 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)c1 4051590 AYKGCJJSZRZZTG-VTUOOYILSA-N 410.514 3.700 0 1 HHAF COc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1Cl 5067515 IDUZENNRZGYEBI-UHFFFAOYSA-N 400.862 3.998 0 1 HHAF CCCNC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](C)N2C1=O 8474111 FUFZQPJEHMZYBR-JLTOFOAXSA-N 416.481 3.762 0 1 HHAF biogenic CC1(C)O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 13674237 ZHGPQFQZUISAOM-ZRCGQRJVSA-N 416.481 3.871 0 1 HHAF COc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@H]3COC[C@@H]32)cc1OC 15194120 RKVVUMUMIOPICX-FTRWYGJKSA-N 400.471 3.680 0 1 HHAF biogenic CO[C@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O 17192043 UFRYXHSGDCMKGK-WCIQWLHISA-N 413.297 3.828 0 1 HHAF O=C(c1cccc2c1C(=O)N(C1CCCCC1)C2)N1CCN(Cc2ccccc2)CC1 20216270 QRELNJDZCIPJMS-UHFFFAOYSA-N 417.553 3.933 0 1 HHAF CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3O 40845291 NHAOANQCNDNNRY-VIJIUCOUSA-N 416.514 3.508 0 1 HHAF COc1cccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)c1 45337636 QYGZIWRUFABGJQ-UHFFFAOYSA-N 417.509 3.939 0 1 HHAF CCCc1nc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1NC(=O)c1ccccc1 49110925 YOJAREXVMBFMNZ-UHFFFAOYSA-N 407.861 3.776 0 1 HHAF CC(=O)n1cc(C(=O)O)c(Nc2ccc(I)cc2F)c1C 53276476 HOQFZWQLDDQXCE-UHFFFAOYSA-N 402.163 3.642 0 1 HHAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4ncccc4c3)sc12 64573401 ROXRWZCUYKTXHP-HNNXBMFYSA-N 403.511 3.774 0 1 HHAF COc1cc2nc(NCc3ccc(F)cc3)nc(NC[C@H]3CCCO3)c2cc1OC 82119781 KOGDPTXRUMXRBF-MRXNPFEDSA-N 412.465 3.989 0 1 HHAF COc1ccc(-c2nnc(Nc3cccc(S(N)(=O)=O)c3)c3ccccc23)cc1 95592340 FSNDGRHHDDSDIE-UHFFFAOYSA-N 406.467 3.696 0 1 HHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cccc(F)c3)C23CN(C(=O)CC)C3)cc1 95796411 ULQCHWLMFLOEPA-OOVMODBLSA-N 408.517 3.810 0 1 HHAF Fc1ccc(-c2n[nH]c(SCCCN3CCN(Cc4ccccc4)CC3)n2)cc1 96934133 IMWQUCVHOQJVBE-UHFFFAOYSA-N 411.550 3.911 0 1 HHAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(OC)cc2)nn1C 103178854 BPVMDLDTEOESEV-HMMYKYKNSA-N 408.454 3.835 0 1 HHAF Fc1cnc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1 144510962 QKVJFPFOIFKULT-UHFFFAOYSA-N 412.900 3.714 0 1 HHAF C[C@@H]1CCC/C=C/C=C\[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 169291128 XXDIJWSZFWZBRM-FKPAEVFOSA-N 402.531 3.692 0 1 HHAF CNc1nc(Cc2ccccc2)nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)n1 200286406 LGIGSZKPVVQDGA-UHFFFAOYSA-N 401.474 3.750 0 1 HHAF N[C@H]1C[C@@H](N2Cc3nc(C(F)(F)F)[nH]c3C2)CS[C@@H]1c1cc(F)ccc1F 204682664 WETDRJKYGAIISS-MURWCNHISA-N 404.408 3.596 0 1 HHAF C/C=C(/C)C(=O)O[C@H]1C=C2[C@H](OC)O[C@@H](OC(C)=O)[C@H]3CC[C@H]4C(C)(C)[C@@H]1C[C@]234 238750545 WEMIALKTULZOFO-RVUCUOILSA-N 404.503 3.755 0 1 HHAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3CCC3)nc1-2 586884591 QDXGXQIPLDLFFP-UHFFFAOYSA-N 414.448 3.753 0 1 HHAF O=S(=O)(Cc1nc2ccc(Cl)nc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950134 AGQDTMZWOXDYQD-UHFFFAOYSA-N 405.911 3.544 0 1 HHAF Cn1cc(-c2ncc(-c3nc4ccc(I)cc4[nH]3)s2)cn1 587021133 FQDSRCBASCHDCX-UHFFFAOYSA-N 407.240 3.692 0 1 HHAF CN1CCN(c2ccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3c2)CC1 587231855 GOXLPDUXUARSOJ-UHFFFAOYSA-N 401.514 3.865 0 1 HHAF COc1ccc2c(c1OC)[C@@](CC1OCCO1)(c1ccc(F)cc1F)N(C)[C@H](C)C2 962625464 FCHNOYOWQFUIOC-QKFKETGDSA-N 419.468 3.865 0 1 HHAF CC1(C)C[C@@]2(c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c2ccc(O)cc2O1 962658981 FAJQXIIFTAVYPI-LOSJGSFVSA-N 418.493 3.844 0 1 HHAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)N1 962950493 NHWNBPJDIGNIGM-SFHVURJKSA-N 417.509 3.922 0 1 HHAF CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)C(=O)N2 962966825 ATIQKFNDUZEYCD-FOIQADDNSA-N 406.816 3.536 0 1 HHAF CCOC(=O)c1c(N)sc([C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1C 963586549 VWIUFZFAYYMJFS-FIKIJFGZSA-N 404.532 3.630 0 1 HHAF O=CNC[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819877 YBWKMXGJEJIYJJ-SANMLTNESA-N 411.505 3.882 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCc1ccccn1)CC3 1772622473 CBFWQXJQDRSETG-QGZVFWFLSA-N 402.523 3.548 0 1 HHAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(CO)c3)n3c2CCO[C@H](C)C3)ccn1 1772641759 UOGUKNHTULIFIH-CQSZACIVSA-N 415.440 3.975 0 1 HHAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC)cc1)[C@@H]23 1772646308 XALZSXJUTHJFAE-UPZYVNNASA-N 406.592 3.749 0 1 HHAF CCOC(=O)c1c(NC(=S)N2CCN(c3ccccc3)CC2)sc2c1CCC2 1857567473 XHBJFPOYQSWOLD-UHFFFAOYSA-N 415.584 3.933 0 1 HHAF COc1cc([C@@H]2CC(=O)c3c(O)c(C)c(OC(C)=O)c(C)c3O2)ccc1OC(C)=O 2356408293 AOLRIXVCSLTLKV-KRWDZBQOSA-N 414.410 3.575 0 1 HHAF CC(=O)O[C@@H]1C=C(C)[C@H]2[C@H]([C@@H]1C(C)C)[C@@H]1O[C@@H]2CC(C)=CC[C@H](OC(C)=O)[C@]1(C)O 2356409017 VXAZNVCCWPGZMQ-YOEAQHCCSA-N 420.546 3.573 0 1 HHAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C=C(C)CCC=C(C)CC[C@@H]1C(C)=O)OC(=O)[C@H]2CN(C)C 2356688226 SDLMMRKLTDNPHW-OOYIDZMOSA-N 419.562 3.699 0 1 HHAF COc1ccnc(C[S@@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1C 13452066 QUNAPURTLGQPAG-NDEPHWFRSA-N 417.384 3.819 0 1 HHAF CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 13560174 OPNJYTBFAIGRFB-UHFFFAOYSA-N 412.361 3.681 0 1 HHAF Cc1noc(NS(=O)(=O)c2cccc3c(NCCCC(=O)O)cccc23)c1C 13741060 FCVNIXAIYYEZTL-UHFFFAOYSA-N 403.460 3.522 0 1 HHAF O=C(O)C(CCCCn1cnc2c1NC=NC[C@H]2O)(c1ccccc1)c1ccccc1 13807390 SIEPWUZFTVTLIO-HXUWFJFHSA-N 418.497 3.612 0 1 HHAF Cc1cc2c(cc1O)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2 27426288 SRWRQPQMXBCFIH-UGKGYDQZSA-N 413.495 3.757 0 1 HHAF COC(=O)[C@H](CO)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br 28878386 YGWGITQBXCAQTN-OEMRDNBMSA-N 416.356 3.634 0 1 HHAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 31361243 DDVBPZROPPMBLW-HPUDPPKGSA-N 421.559 3.860 0 1 HHAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@H]1CC(=O)N(CC)CC 43071604 BIPGCFJINKTMQY-LJQANCHMSA-N 408.498 3.822 0 1 HHAF COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1 45337920 BFIRBXUGLIZKLJ-UHFFFAOYSA-N 417.509 3.939 0 1 HHAF O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)nc2N1 71297031 OCWPTCQPXOGOJA-UHFFFAOYSA-N 414.937 3.601 0 1 HHAF O=S(=O)(O)c1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722213 MVUAFKQOTLQRMZ-KNQAVFIVSA-O 420.466 3.832 0 1 HHAF Cc1cc2oc(N3CCC(C(=O)N[C@H]4CC[C@@H](CO)CC4)CC3)nc2cc1Cl 101660413 MUGVMTZRVAZLMI-KOMQPUFPSA-N 405.926 3.673 0 1 HHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 101899346 IVPPHRQVKUJUTN-MXTRNAPSSA-N 411.410 3.920 0 1 HHAF COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](OC(C)=O)[C@@]12C 136937303 IPBJLEBCIOWRHJ-IKZNSBIOSA-N 406.519 3.823 0 1 HHAF CN(C)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144815828 FQBXVEZVOWTPFO-FQEVSTJZSA-N 401.388 3.568 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299881076 NIXOJNSXYSKLMI-CFSSXQINSA-N 403.885 3.637 0 1 HHAF Cc1c(F)ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 586951679 UMXHLLFKBDHVID-UHFFFAOYSA-N 424.295 3.881 0 1 HHAF Cc1cc(Br)cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 586953015 PPTVZLNRBJUKOJ-UHFFFAOYSA-N 400.342 3.632 0 1 HHAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586994917 BAQAENADTAUQNH-UHFFFAOYSA-N 402.248 3.970 0 1 HHAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033403 UKYWHNGNAUVJBC-UHFFFAOYSA-N 412.540 3.821 0 1 HHAF COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1OC 587120146 UCSZVLKPXIFDHX-UHFFFAOYSA-N 408.380 3.501 0 1 HHAF N[C@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1F 587142513 DABUTYTWLFATSO-SNVBAGLBSA-N 414.076 3.865 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Br)ccnc3[nH]2)cc1 587244511 KWQGKPLKKXJEQO-UHFFFAOYSA-N 412.247 3.860 0 1 HHAF Nc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc2n1 587254692 WYQRUPXQPLGYAH-UHFFFAOYSA-N 421.629 4.013 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1N1CCOCC1)O2 587377150 LJUCLCPSZFESJL-SFHVURJKSA-N 417.303 3.883 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc2ccccc2s1)C(O)O 587617125 IQTSQZYRWDEHMY-XXBNENTESA-N 420.442 3.775 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cscn1)CC2 587620146 XXBAVZQUXZSPPN-IBGZPJMESA-N 408.479 3.845 0 1 HHAF COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587773936 SLIRYCQBQRCNEG-JEOXALJRSA-N 423.282 3.634 0 1 HHAF COc1ccc(NCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867881 PRUGZJOEOAHFEB-UHFFFAOYSA-N 406.364 3.733 0 1 HHAF COc1cccc2c(NC(=O)c3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653797911 RSLUEOSBXSCMPA-UHFFFAOYSA-N 410.437 3.812 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(OC)c1 653857493 HWPPHNASLRFLQL-UHFFFAOYSA-N 416.861 3.576 0 1 HHAF CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCc1ccccc1 1857545550 VBYRFTDKKOLVDY-UHFFFAOYSA-N 412.964 3.810 0 1 HHAF Cc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1Nc1nccc(-c2cccnc2)n1 1911570854 RSEXOGDCNQOABU-UHFFFAOYSA-N 424.464 3.942 0 1 HHAF COc1ccc(C(=O)NC[C@@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)cc1 2356301723 CRHYLSIVOJSORM-CQSZACIVSA-N 405.376 3.565 0 1 HHAF CC(C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C(C)C 2356335650 CIVSJMYWHIZNJZ-RBUKOAKNSA-N 402.443 3.772 0 1 HHAF CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](COC(=O)c1ccccc1)C(C)C 2356816166 CYKHBJCXJDXSPW-VLCRHTCISA-N 424.541 3.829 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NC[C@H](O)CC 771967 DJJCEOXMOMUGEJ-BSIFCXSSSA-N 416.905 3.718 0 1 HHAF COc1ccc(OC)c([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)c1 2914482 ZBCSBQPJWDLLQT-HOTGVXAUSA-N 416.279 3.599 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOCCO 4213658 JLVBAOBTPBRHLN-RBUKOAKNSA-N 414.905 3.618 0 1 HHAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 13601702 CZSIXZKMOIKIMG-QFIPXVFZSA-N 412.424 3.853 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)NC[C@@H]1CCCO1)C2=O 13681825 XZCNEAJZTOZWJU-VMFJPSLXSA-N 411.542 3.729 0 1 HHAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)ccc1O 14585244 WNEWYJBAIPHOET-VUEDXXQZSA-N 402.443 3.502 0 1 HHAF CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(C)C)cc1 14974878 WDXPCAFFWRLNMI-UHFFFAOYSA-N 415.877 3.885 0 1 HHAF COc1ccc2c(c1)CCc1c-2nc2cc(OC)c(OC)c3c2c1CCN3C(C)=O 28018829 OKBVJRGTAAGBDB-UHFFFAOYSA-N 404.466 3.935 0 1 HHAF O=C(CNO)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12 36159938 CAIPZMOYYGITFD-UHFFFAOYSA-N 417.259 3.679 0 1 HHAF CCCC1=C(C(=O)OCc2ccc(C(=O)OC)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 40467030 STRPCAAJJSUBQF-NRFANRHFSA-N 422.481 3.933 0 1 HHAF O=C(Nc1ccccc1F)N[C@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1 45193848 RMBFAILNXRLAAX-INIZCTEOSA-N 410.428 3.899 0 1 HHAF CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 64540122 GXYTWWHWQQMHQF-NRFANRHFSA-N 419.460 3.684 0 1 HHAF CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F 72181509 MXGREGDECHMGEG-UHFFFAOYSA-N 410.858 3.759 0 1 HHAF CCCc1c(C(=O)NCc2ccncc2)cnn1-c1ncc(C)c(-c2cccs2)n1 96273289 TWQFXEREFWTUNH-UHFFFAOYSA-N 418.526 3.977 0 1 HHAF Nc1ccc2c(c1)[C@@H](O)[C@@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 103232434 VOVXPCSLEFSNJQ-GYCJOSAFSA-N 412.505 3.694 0 1 HHAF Cc1cccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 142110933 GOBJPRCTHVAYDE-GOEBONIOSA-N 408.462 3.989 0 1 HHAF c1ccc2[nH]c([C@@H]3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)nc2c1 205113350 OCHPSOKVGIQSIN-QGZVFWFLSA-N 414.513 3.727 0 1 HHAF CN1[C@@H](c2ccc(F)cc2)c2cc(Br)c3cccnc3c2NS1(=O)=O 205625636 WXTBMOHULDXLML-KRWDZBQOSA-N 422.279 3.828 0 1 HHAF Cc1c(Cl)cccc1-c1nc([C@@H]2CCN2C(=O)c2ccccc2-n2nccn2)no1 218224815 QXNDPXJOGZQXCO-SFHVURJKSA-N 420.860 3.866 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccsc1)(N1CCC[C@H](O)C1)C(=O)N2 219476139 WWQBGXBCMFMVEJ-HTAPYJJXSA-N 409.511 3.672 0 1 HHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 586882091 JZRLOZKADXRHAF-UHFFFAOYSA-N 405.479 3.725 0 1 HHAF COc1cncc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961829 SZQYDDMKGPVLIK-JLSDUUJJSA-N 412.515 3.661 0 1 HHAF O=C1C[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CN1Cc1ccc(F)cc1F 587148643 JHDKVOFPLCMQMV-JTQLQIEISA-N 407.323 3.679 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 587180599 HXLAGIJPWVIRIY-RTHLEPHNSA-N 424.246 3.726 0 1 HHAF Nc1cccc(O)c1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587250877 UOEFAXAOPMFLTF-UHFFFAOYSA-N 414.874 3.972 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(Br)c(OC)c1)[C@@H](C2)C3=O 587414829 XWYMBLNBPIVDIC-BUXKBTBVSA-N 405.244 3.964 0 1 HHAF CCOC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418258 ODAJMAZYQGPXFI-FOIQADDNSA-N 417.255 3.664 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](CCCC(=O)CNC(=O)OC(C)(C)C)CC2=O 587472196 YSNJPJRZKDVXDB-HNNXBMFYSA-N 405.491 3.943 0 1 HHAF O=C1C[C@@]2(CCN(Cc3ccccc3)C[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587517881 WSFOJQUKINRTTR-PXDATVDWSA-N 405.494 3.876 0 1 HHAF CCOC(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585939 ITEWEDNYEINEDC-NFBKMPQASA-N 405.406 3.598 0 1 HHAF O=C(Nc1ccc(F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655504 KMNGUEDPDMUEDZ-UHFFFAOYSA-N 423.350 3.760 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587848317 HXYVEWWOZWYOCC-ADLMAVQZSA-N 412.324 3.789 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(C)nc2sccn12 587869716 PWDOPSSAAYPNAL-UHFFFAOYSA-N 407.377 3.679 0 1 HHAF CN1CCN(c2ccc(-n3c(O)ccc3OC(C)(C)C)cc2Br)CC1 587935371 FARITHSGWPSPTB-UHFFFAOYSA-N 408.340 3.875 0 1 HHAF CCCCCn1c(=O)c(F)cn(Cc2nc3ccccc3n2CCCCC)c1=O 653822868 ZKVPNJRQHBOIGQ-UHFFFAOYSA-N 400.498 3.928 0 1 HHAF C[C@H](C[C@@]1(c2cccc(CO)c2)c2ccsc2CCN1Cc1cccn1C)C(=O)O 962401137 VNCCHKFWCMGTMW-MZNJEOGPSA-N 424.566 3.992 0 1 HHAF CCCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772570639 YQVURWXJUBXXCZ-UHFFFAOYSA-N 401.555 3.780 0 1 HHAF Cc1nc([C@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](O)C(C)C)n1 1772639599 QPONSQWOQBWVEK-MRUHUIDDSA-N 417.517 3.521 0 1 HHAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2c1C 1772653852 DBLZDJIMWWYEMO-UHFFFAOYSA-N 419.455 3.736 0 1 HHAF O=S(=O)(NC[C@H](O)/C=C/c1ccccc1)c1ccc(OCc2ccccc2)cc1 1857638299 SNJRMTIJYHAFRL-RJRNSMGGSA-N 409.507 3.618 0 1 HHAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2cn(CC3CC3)c3ccccc23)C(=O)O1 1857758738 XHUGZQWFSKJGAZ-GOOYREHVSA-N 411.498 3.702 0 1 HHAF CCOCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857762030 WPPCAOCLJDLMSK-MRXNPFEDSA-N 423.897 3.880 0 1 HHAF COc1cc(-c2cnc3c(N4C[C@H](C)O[C@H](C)C4)snc3c2)cc(OC)c1OC 1911579086 JRJNITLXPWSVOR-BETUJISGSA-N 415.515 3.998 0 1 HHAF CC(=O)[C@H](O)[C@H](O)CC(C)=CCC[C@@H](C)C=CC=C(C)CCCC1=CC(=O)O[C@@H]1O 2356500297 QWSRTOLIHWJYKS-QFZOFJBGSA-N 420.546 3.524 0 1 HHAF COC(=O)C=C(C)CCC=C[C@H](C)CC[C@@H]1CCC[C@@](O)([C@H]2CSC(=O)N2)O1 2356690494 ZDGSZBCCKDDREV-JWVYWZTKSA-N 411.564 3.941 0 1 HHAF CC[C@H](C[C@@H](CC=C[C@H](O)c1ccc(O)cc1)S(=O)(=O)O)c1ccc(O)cc1 2356818368 DTCNCUANKHRPPV-LPTQZCDUSA-N 406.500 3.918 0 1 HHAF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051623 WSTWSBQHFWIKQQ-SJBKTWHCSA-N 406.507 3.560 0 1 HHAF COc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1 13674823 KZQWOGYXIVRWJV-UHFFFAOYSA-N 407.514 3.703 0 1 HHAF CN(Cc1cccc2ccccc12)C(=O)[C@@H](O)[C@H](N)CSCC1CCCCC1 27899775 KUUCWSDRJQHQFD-YADHBBJMSA-N 400.588 3.800 0 1 HHAF CO[C@@]1(c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(C)cc3)n2)CCCO1 28457456 XMAKNORZQOWEMY-QFIPXVFZSA-N 412.511 3.861 0 1 HHAF C[C@@H]1CN(C(=O)C2CCCCC2)CCN1S(=O)(=O)c1cccc2ccccc12 40423868 HHPMEXAKTRNDQM-QGZVFWFLSA-N 400.544 3.642 0 1 HHAF COc1cc(Oc2ccccc2S(C)(=O)=O)cc(C(=O)Nc2nc(C)cs2)c1 40897602 BELWZEMIWDMPBA-UHFFFAOYSA-N 418.496 3.908 0 1 HHAF O=C(c1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2)C1CC1 66074289 KXGUCPKHXASNFC-KRWDZBQOSA-N 412.449 3.625 0 1 HHAF C[C@H](C(=O)NCc1ccc2ccccc2c1)c1ccc(NS(C)(=O)=O)c(F)c1 73219586 OGHRHBJWRKPAEH-AWEZNQCLSA-N 400.475 3.770 0 1 HHAF O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 169727231 BOOKXOVMQLQATB-AUSIDOKSSA-N 414.461 3.734 0 1 HHAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2 209500059 PWXPKUBKNYAOKU-CYBMUJFWSA-N 422.319 3.592 0 1 HHAF O=C1c2nnc(-c3ccccn3)n2CCN1Cc1cccc(C(F)(F)F)c1Cl 219151777 AQOFBMRYRWSLBY-UHFFFAOYSA-N 407.783 3.668 0 1 HHAF CO[C@@H]1C(=O)[C@]2(O)c3occ4c3[C@](C)(CC[C@H]4OC(C)=O)CC[C@@]2(C)[C@@H]1C(C)C 238764331 SVOIENAOCYMFDG-OWPIHQFDSA-N 404.503 3.793 0 1 HHAF COc1ccc2c3c1O[C@@H]1C(OC(=O)c4ccccc4)=CC[C@H]4[C@@H](C2)N(C)CC[C@]314 504215556 VPMRSLWWUXNYRY-GAYMAQTPSA-N 403.478 3.715 0 1 HHAF biogenic COc1ccc2nc(CC/C(C)=C\Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2n1 586916047 VATIOJOZWRPVMA-XGICHPGQSA-N 423.469 3.781 0 1 HHAF CCCOc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br 586924392 PLZMKCGKAHVZKI-UHFFFAOYSA-N 401.326 3.972 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 586931507 VOWOXMOKFGZDJK-UHFFFAOYSA-N 413.890 3.807 0 1 HHAF Cc1nn(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1Br 586978857 LBAWXHNEBDCXOS-UHFFFAOYSA-N 419.508 3.998 0 1 HHAF Fc1cc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1Br 587008286 LBMLADVLVVRMGI-UHFFFAOYSA-N 411.032 3.937 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cnc3[nH]2)C(F)(F)C1 587132431 QHXBLBGMHNTRIT-VIFPVBQESA-N 403.227 3.690 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161912 SWHXZIUMHAOESY-UHFFFAOYSA-N 413.840 3.768 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3o2)(C(O)O)[C@@H]1c1ccc(F)cc1 587358263 WGGVGHNHCCFNMS-QPPBQGQZSA-N 420.392 3.843 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)O2 587397283 ZHDZORCSGNXFSY-QSAZIKIQSA-N 416.518 3.717 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 587405990 ZTKPGTNCKJYOOI-XMMPIXPASA-N 401.418 3.750 0 1 HHAF COCOc1ccccc1[C@@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435786 IPEPPNXQRUAJIX-NTKDMRAZSA-N 403.434 3.764 0 1 HHAF CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707927 YKMZTZIBCDVEAY-UEXBWHTRSA-N 416.184 3.781 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746431 MWLIMTNRQCUSOY-RJVYXSBYSA-N 421.310 3.787 0 1 HHAF COC(=O)CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587755994 IZSXERUBMBTENH-APBUJDDRSA-N 424.314 3.588 0 1 HHAF CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C 587771304 FWLVNHZBPJGZBZ-GIPWTMENSA-N 403.295 3.905 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587791544 JZGNUHJRLIQDDG-GIGQVBGESA-N 405.267 3.717 0 1 HHAF COc1cc(C(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587806213 IYHFZRFHPXJCRB-YYSFKGJASA-N 424.266 3.927 0 1 HHAF Cc1nn(C(C)C)c(C)c1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962627184 FEUVELGDFGGGEJ-IFXJQAMLSA-N 411.424 3.842 0 1 HHAF CC(C)(Br)[C@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903957 NBWJZIMISWEVKW-HNAYVOBHSA-N 410.258 3.981 0 1 HHAF C[C@H](NC(=O)c1cnnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 1857589837 AYMXXRPPBNBSJF-LBPRGKRZSA-N 418.375 3.534 0 1 HHAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1ccc(OC)c(OC)c1 1857593246 NHZZTUGBKCXCLS-RXUIJTJXSA-N 414.454 3.999 0 1 HHAF CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1 4967359 UISOFTFMCMGCRC-YLJYHZDGSA-N 410.539 3.955 0 3 HHAF Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1CCCC[C@H]1COCCCc1ccccc1 26388302 KHTHDTHIFBMWBR-WIOPSUGQSA-N 424.585 3.909 0 1 HHAF O=C(c1ccccc1-n1cccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 116823796 NFIXQZPDPPQXDR-OALUTQOASA-N 409.493 3.629 0 1 HHAF COc1cccc(CNC[C@@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@H]2O)c1 2356609143 PEDOIBZNWKJBDN-ZDXQCDESSA-N 408.498 3.591 0 1 HHAF COc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](C)Oc1cc(C)c2c(C3CC3)nn(C)c2n1 117511733 QXVOQEVRXUTGSY-LIRRHRJNSA-N 420.513 3.734 0 1 HHAF CC(=O)[C@@H]1C[C@@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C)C)C3=O 2356679640 YWCYHQDJGKSIEV-DZDJBXFWSA-N 414.542 3.923 0 1 HHAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356845623 OGSDYCPNYNWUNN-KWRUTPNRSA-N 408.579 3.593 0 1 HHAF CO[C@@H]1CC=C2NN(c3cc(Cl)cc(Cl)c3)C(=O)C[C@]2(c2ccncc2)O1 66258807 ISEIMPVKJWQJNF-RBUKOAKNSA-N 406.269 3.802 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccncc21 34296817 YEGUVPNKCAHYEZ-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(C(=O)O)cc2c1=O 73157793 WGONQTBDCORFNL-UHFFFAOYSA-N 423.465 3.919 0 1 HHAF O=C1OCC2=C1[C@H](c1ccc(F)c(Br)c1)c1cc3c(cc1N2)OCO3 40913370 OLFHDZWIPDAWOU-MRXNPFEDSA-N 404.191 3.685 0 1 HHAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)NCc2ccc3c(c2)OCO3)c1 82146045 IRUMGFJYZMBXSR-UHFFFAOYSA-N 416.481 3.711 0 1 HHAF CCC1(CC)Oc2nc(NC(=O)[C@H](C)N)ccc2N(c2ccc(Cl)cc2)C1=O 143053055 KCQTUJRMPMFXJA-LBPRGKRZSA-N 402.882 3.637 0 1 HHAF COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 95875593 IAOUQVOLJYGUBM-KKUQBAQOSA-N 406.570 3.997 0 1 HHAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/COc3ccccc3)O2)n1 653905781 YMDRBQRLLNYQNG-NRUVFZJOSA-N 401.484 3.694 0 1 HHAF CS(=O)(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587184212 QICHAMFVZAJPEZ-VMPITWQZSA-N 424.263 3.741 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587758020 WKVFGEUJAMBVPQ-NCQQTKKMSA-N 413.331 3.736 0 1 HHAF COC(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570082 KCWLHCUFSHBUIM-NZQKXSOJSA-N 408.381 3.952 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1Cc3ccccc3N[C@@H]12 587586442 CGCDGQAETGNJPT-OYDLWJJNSA-N 400.434 3.750 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587793932 FOZAKSVWOAVHAQ-BLWXERESSA-N 412.299 3.640 0 1 HHAF C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587765676 DGTJYBUYFLXQEZ-UVARLRKDSA-N 418.310 3.600 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 587400853 RWBNLGZLJKZTOH-XMMPIXPASA-N 409.482 3.885 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035522 RFZLPDWKDSJIBN-KRWDZBQOSA-N 405.545 3.559 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@H](C)Cc2cc(Br)c(F)cc21 587749022 ZPALDTIPASEUNM-CPRIZNHFSA-N 421.310 3.787 0 1 HHAF Nc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cn1 587008343 UCBKXEIVPMBWHT-UHFFFAOYSA-N 412.247 3.739 0 1 HHAF COc1ccc2c(c1)cc([C@H]1NCCc3nc4ccccn4c31)c(=O)n2CC(C)C 962990732 UEZCEFXHRLQVFC-JOCHJYFZSA-N 402.498 3.549 0 1 HHAF CC(C)=C1Oc2c(ccc(O)c2C)[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963222052 GFFUSCLUEZDHPA-NTKDMRAZSA-N 402.450 3.778 0 1 HHAF Cc1cc2c(cc1O)[C@@](c1ccc(F)c(F)c1)(c1ncccc1C)N[C@H](C(=O)O)C2 963489986 JSQFNZGNXDPKQM-CVDCTZTESA-N 410.420 3.573 0 1 HHAF Cc1c(F)c(Oc2cccc(CC(N)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13473997 FCOKYNRRXWKDSQ-UHFFFAOYSA-N 412.396 3.565 0 1 HHAF CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 13660468 ADGRPWGBFQJCRO-XMMPIXPASA-N 422.456 3.735 0 3 HHAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(N2CCOCC2)c1 167868492 ZCFKLJXKYWPBJL-HXUWFJFHSA-N 410.514 3.794 0 1 HHAF CN1O[C@@](C)(CC(=O)Nc2ccccc2F)N=C1c1cccc(Br)c1 205228737 PUAXPZABXBUMQR-SFHVURJKSA-N 406.255 3.957 0 3 HHAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049334 NIXOJNSXYSKLMI-GMVOTWDCSA-N 403.885 3.637 0 1 HHAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4081666 DEOCSBSDPUVFFT-ZJOUEHCJSA-N 410.857 3.875 0 1 HHAF CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C 6598770 ALCGUZLBKILMTQ-STZQEDGTSA-N 411.546 3.747 0 1 HHAF COc1ccc2nc(Cl)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2c1 7166490 PLDBKGNGJRPDAH-JYRVWZFOSA-N 408.888 3.573 0 1 HHAF COc1c2c(c(OC)c(O)c1-c1c[nH]c3ccccc13)[C@@]1(O)c3ccccc3N[C@H]1O2 13462674 BNNQNJBXFAFMOE-ZEQRLZLVSA-N 416.433 3.938 0 1 HHAF biogenic O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(Cl)cc1)CC2 14997853 IPSOGRHVUOBIPD-FQEVSTJZSA-N 411.933 3.726 0 1 HHAF CC(=O)Nc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28367816 IJOSWIDZDBURQU-CVEARBPZSA-N 413.543 3.780 0 1 HHAF COc1cc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2cc1OC 28644774 IIXHBQVZVKQZLU-UHFFFAOYSA-N 403.456 3.758 0 1 HHAF O=C(O)CCCCN1CCN(CCO[C@H](c2ccccc2)c2ccc(F)cc2)CC1 29325632 JDWWQMGKWQDQLA-XMMPIXPASA-N 414.521 3.804 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c(I)c2)C[C@@H]2CC[C@H]1N2 38968058 BKHDTODCSABTEV-JFOHDYCDSA-N 413.299 3.812 0 1 HHAF Fc1cc(F)cc(Cn2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)c1 53184738 UBRNKTCMVOHXFF-UHFFFAOYSA-N 420.467 3.911 0 1 HHAF CCCCS(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 66156411 ALUYOSXISWRVBJ-MRXNPFEDSA-N 400.544 3.698 0 1 HHAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccccc1N 82083066 UHDDDDVMWYPXPY-OAHLLOKOSA-N 414.465 3.512 0 1 HHAF COCCCOC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3)ccc2CN)c1 96286470 RTFXHTVVULHZOG-UHFFFAOYSA-N 419.481 3.653 0 1 HHAF CC(C)NC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@H]2c1ccc(Br)cc1 100087607 ORIAPRUJFKWFRS-FICVDOATSA-N 420.273 3.581 0 1 HHAF CC(=O)N1[C@H]2C=C(CN3CCC(Nc4cnc5ccccc5n4)CC3)C[C@H]1CCC2 101160598 CQKPQGPFKZFFHT-NHCUHLMSSA-N 405.546 3.606 0 1 HHAF CN(C)c1ccc(-c2cc(=O)c3cc(OCCOCCOCC[18F])ccc3o2)cc1 101572128 HWJWBSGRNVUMME-MIGPCILRSA-N 414.464 3.908 0 1 HHAF Cc1c(Cc2ccc(=O)n(Cc3ccccc3)c2)c2cc(F)ccc2n1CC(=O)O 117016150 KWCICXAHCLQSAB-UHFFFAOYSA-N 404.441 3.974 0 1 HHAF CC1(C)CCN(C[C@](C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 148307946 SZIIFKASEOJJLY-NRFANRHFSA-N 422.497 3.638 0 1 HHAF Cc1cc(NCc2ccncc2N2CCN(c3ccc4ncsc4c3)C2=O)n[nH]1 148367953 DPNKARXUFIIVDZ-UHFFFAOYSA-N 405.487 3.782 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCN)no2)cc1C#N 198843557 FETKSAFOWYPZGC-HXUWFJFHSA-N 403.486 3.598 0 1 HHAF Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)C(F)(F)F)cc2F)cn1 212116946 PKRSZJWOGBSGIT-UHFFFAOYSA-N 412.368 3.793 0 1 HHAF COc1ccccc1[C@@]12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 299820108 DRLZJOUBIYQHIK-XMMPIXPASA-N 420.415 3.786 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586886182 DXDRRJKGKSGCHK-MGPUTAFESA-N 401.532 3.739 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(=O)OC)ccc2[nH]1 587180999 KWCXXDLYSFSCIM-VIFPVBQESA-N 424.242 3.789 0 1 HHAF CCOC(=O)[C@@]1(c2c(F)cccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587381795 LHCYBQNHTKPSHP-IBGZPJMESA-N 422.250 3.903 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1NC(=O)c3c(-c4ccccc4)csc3N1)O2 587415952 ZMUDLRPVCWDUHH-FXAWDEMLSA-N 405.479 3.821 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H](OCc1ccccc1)[C@H]1COC(C)(C)O1)[C@@H](C2)C3=O 587448091 BMABLFMFSVKPLX-IHIBHSRISA-N 410.466 3.548 0 1 HHAF COc1ccc([C@]2(COC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598926 CKJNSOFRXWQUSZ-QPPBQGQZSA-N 420.417 3.821 0 1 HHAF O=C(Nc1ccc(CCO)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657157 XGOURJVPLSVURF-UHFFFAOYSA-N 421.403 3.957 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N)c(Br)c2)N1 587683736 WYZNLRZWAORAJH-JKYUHCHBSA-N 415.104 3.952 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587769968 PBLFVEJKGYCSAS-YBTHPKLGSA-N 417.278 3.784 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(Cc2ccccc2)c1N 587871661 AYVCJGDWDPDIQU-UHFFFAOYSA-N 405.433 3.603 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](C)([C@@H](C)OC)N2C(=O)OC(C)(C)C 962703136 FSQPEISNYIEJIJ-BGUDKVOASA-N 407.482 3.727 0 1 HHAF Cc1cccc(-n2ncc3c2CCC[C@]32N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962897548 MTCMMTWLHPOEQL-CYFREDJKSA-N 405.473 3.807 0 1 HHAF COc1ccc2c(n1)CC[C@]21N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182829 RWDHMFKUHVDZHF-YJBOKZPZSA-N 412.795 3.551 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC4CC4)ccc3[C@@H]2C(=O)O)cc1 1772578841 UWBAFCYEHNRJJW-UPCLLVRISA-N 422.525 3.857 0 1 HHAF Cc1cccc(CN2CC[C@@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)c1 1772580007 FEAAPOLQVVDUPG-NHCUHLMSSA-N 400.469 3.926 0 1 HHAF NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1 1772630193 KACCGMRCUUFUSQ-INIZCTEOSA-N 419.510 3.549 0 1 HHAF COc1ccc(/C=C/c2nc3ccc(F)cc3c(=NCCCN3CCOCC3)[nH]2)cc1 1857598666 XQZPHAIZLFPDBW-BJMVGYQFSA-N 422.504 3.504 0 1 HHAF COc1ccc([C@@H]2c3c(c(Br)c4c(c3OC)OCO4)CCN2C)cc1 1857645105 PWTULIRFSPOULP-MRXNPFEDSA-N 406.276 3.772 0 1 HHAF Cn1c(C(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)cc2sccc21 4102030 MRQMPNSHAMNTFG-SFHVURJKSA-N 409.555 3.841 0 3 HHAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 12479582 VOWHUAGHZPAWHU-DOTOQJQBSA-N 412.511 3.517 0 3 HHAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 61905758 XVOUUGMYXRCBNZ-LJQANCHMSA-N 411.483 3.843 0 3 HHAF O=C(Nc1cccnc1)c1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)n1 205208446 FTUHFKZMWJQVKZ-UHFFFAOYSA-N 413.890 3.886 0 3 HHAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 4078929 LLPZCLSGZMOUTQ-FYYLOGMGSA-N 419.481 3.762 0 1 HHAF Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NC[C@H]3CCCO3)cc12 4881587 GCODRBXHRJFHGP-LJQANCHMSA-N 424.545 3.547 0 1 HHAF CCc1nn([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc3occc3n12 5149703 FEPPZNNNSHTLLB-CVEARBPZSA-N 406.486 3.503 0 1 HHAF CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F 13759856 SJGIKNOOIMIQBF-UHFFFAOYSA-N 415.307 3.717 0 1 HHAF NC(=O)[C@]1(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCc2ccccc21 26393331 URPWBUOROXVSLK-FQEVSTJZSA-N 407.297 3.596 0 1 HHAF CC(C)(C)C1CCC(C(=O)Nc2ccc(OC(=O)NN3CCOCC3)cc2)CC1 29466497 XSLDWDIQZLTRHG-UHFFFAOYSA-N 403.523 3.813 0 1 HHAF in-vitro Cc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2 64548451 NYXWLYUNZBLYDF-UHFFFAOYSA-N 415.537 3.983 0 1 HHAF N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CS[C@@H]1c1cc(F)ccc1F 72317938 UVPKYEKLTNQJJY-DIOULYMOSA-N 416.419 3.663 0 1 HHAF CCOc1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccn1 73331047 YFJOLEYTIFDUPC-UHFFFAOYSA-N 416.485 3.770 0 1 HHAF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cc(OC)c(OC)c(OC)c1 82144544 MLKVQEKNYCYYLR-UONOGXRCSA-N 416.522 3.908 0 1 HHAF O=c1c(NCc2ccoc2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 82224439 RKZNFLGYTYTQQX-HXUWFJFHSA-N 420.513 3.810 0 1 HHAF O=C1C(=O)N(c2ccccc2C(F)(F)F)CCN1Cc1ccc(F)cc1Cl 95565055 CRIKCFFBWDXSFL-UHFFFAOYSA-N 400.759 3.873 0 1 HHAF CC(C)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 104016881 QORNEZDTDQMMIQ-SFHVURJKSA-N 413.477 3.756 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cccc3[nH]cnc23)n1 143676715 PXIPYNYCVPWGFC-GOSISDBHSA-N 403.442 3.746 0 1 HHAF Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 169338606 ZTMATBOBWAXBCV-LSDHHAIUSA-N 403.490 3.533 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]21C 169713516 SZDSCLOAPYDVBU-DXWIOMQFSA-N 402.579 3.513 0 1 HHAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cn1 169717289 ZJORSKCWFNIHPV-UHFFFAOYSA-N 407.426 3.786 0 1 HHAF Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)N2CCC(F)(F)CC2)cn1 207693280 ICTBFCNLTVBFTH-MRXNPFEDSA-N 412.843 3.780 0 1 HHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(C2(C)CC2)cc1F 218272127 IOJOVSUDBXKRLR-OGHNNQOOSA-N 400.454 3.546 0 1 HHAF CCOC(=O)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586968887 DPCIHWGPEPXLAS-UHFFFAOYSA-N 424.438 3.811 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587034490 GQTVWJVTWGJAIL-QGZVFWFLSA-N 405.545 3.511 0 1 HHAF Cc1nc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1Br 587132826 VMNTYIADUHIGRU-VIFPVBQESA-N 417.254 3.998 0 1 HHAF O=C1COc2cc3[nH]c(Cc4csc5nc(-c6ccc(F)cc6)cn45)nc3cc2N1 587165787 FCMMUGGGOSZYGM-UHFFFAOYSA-N 419.441 4.000 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)O2 587382296 ORKIYLOIKLPSLA-GOSISDBHSA-N 413.417 3.794 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Br)ccc21 587457814 NSJYKBBOMYNHKA-LJQANCHMSA-N 402.244 3.920 0 1 HHAF C[C@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605506 DBQFNSWKAKYSNE-DENIHFKCSA-N 410.447 3.586 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)s1 587611427 INVQETVBRAUIRB-SIKLNZKXSA-N 408.479 3.566 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587763760 MFYXCRNEUZSXPA-CDNSIRFLSA-N 407.331 3.658 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977291 OQYUCTKHOLGWAC-FOIQADDNSA-N 409.816 3.642 0 1 HHAF COc1cc(OC)c(-c2cn3ccc(N4CCCC4)nc3n2)cc1Br 1857596144 KRSSKCVSAIGFRI-UHFFFAOYSA-N 403.280 3.776 0 1 HHAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)on1 61926181 ZQZVZBDZHRBULI-QGZVFWFLSA-N 415.490 3.507 0 3 HHAF O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCc1ccc(F)cc1Cl 3006238 FELNOWGURWVPQT-UHFFFAOYSA-N 404.290 3.754 0 1 HHAF COc1cccc(N[C@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)O)n1 13439316 GMTNKNNQZUELGN-QGZVFWFLSA-N 408.454 3.882 0 1 HHAF COc1ccccc1N1CCN(CCCN[C@@H]2CCCc3c(OC)cccc32)CC1 13757354 JQDKIHJGQVYOCG-JOCHJYFZSA-N 409.574 3.883 0 1 HHAF CCCC/C(C)=C/CNC(=O)c1c(O)cc([C@@H](C)CC/C=C/NC(=O)OC)oc1=O 28397793 DRZRAJBMSWUUCZ-VPYVRVPWSA-N 420.506 3.965 0 1 HHAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)OC/C=C/c1ccccc1 29204911 UASJKQINROBGIC-WXEWMOHNSA-N 405.494 3.951 0 1 HHAF CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1 38480124 FYXBZOFYWHUPHB-VWLOTQADSA-N 422.525 3.893 0 1 HHAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCc1ccc2c(c1)OCO2 58498719 PPLVJQSSAYHWFJ-FQEVSTJZSA-N 422.481 3.510 0 1 HHAF COC1CCC([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)CC1 82204115 BVLIWGUAUBOPGA-HDYDNRTBSA-N 410.566 3.512 0 1 HHAF O=C(NCc1ccc(Cl)nc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271697 IFVRRQXTRKXSGA-UHFFFAOYSA-N 401.875 3.890 0 1 HHAF CCC/N=c1\c(NS(=O)(=O)c2ccc(OCC)cc2)c(O)oc2ccccc12 103667209 HCHTUBWUXJXTCH-UZYVYHOESA-N 402.472 3.649 0 1 HHAF Cc1cccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)c1 116673809 DHCRJTMRWUXVIE-UHFFFAOYSA-N 407.474 3.592 0 1 HHAF COc1cccc([C@@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)n1 206338565 KBBLNINMJYECRI-IBGZPJMESA-N 403.467 3.870 0 1 HHAF O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCCc1c[nH]c2ccc(O)cc12 299823748 TYNSHDHFCDCPDO-LJQANCHMSA-N 413.477 3.752 0 1 HHAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586925577 HKOLLDHNSUNLHF-UHFFFAOYSA-N 412.389 3.681 0 1 HHAF CCC1=C(C)N[C@H]2c3nc4ccc(O)c5c4c(c3CCN2C1=O)-c1ccccc1C5=O 586989234 BZKYXSLPPRZXKG-XMMPIXPASA-N 411.461 3.822 0 1 HHAF CCCCOc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br 587027521 FIATZOYOSOWXBL-UHFFFAOYSA-N 409.309 3.891 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cccc(N4C(=O)c5ccccc5C4=O)c1)[C@@H](C2)C3=O 587434984 CSDXDJWPKYGOSV-CVDCTZTESA-N 411.413 3.985 0 1 HHAF O=C(O)CSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532412 MMKFBEVLPLUMGP-QFIPXVFZSA-N 409.463 3.555 0 1 HHAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 587554426 XIWAWEWOIAQLFU-XMSQKQJNSA-N 407.809 3.879 0 1 HHAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587567606 HYHYVNUMMIMLCM-GHTZIAJQSA-N 414.410 3.638 0 1 HHAF CC(C)(C)OC(=O)NCc1[nH]c2c(C(=O)O)cccc2c1CCCC1OCCO1 587638815 VPYMBQUKVZAHNQ-UHFFFAOYSA-N 404.463 3.586 0 1 HHAF COC[C@@]1(CCCCC2OCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832729 KRMAZNVBXHLZCO-BFUOFWGJSA-N 416.331 3.897 0 1 HHAF O=C1Cc2c3c(n(-c4ccc(Oc5ccc6c(c5)CCC6)c(F)c4)c2O1)OC(=O)C3 587945213 KXOORJUGIUTXKH-UHFFFAOYSA-N 405.381 3.820 0 1 HHAF c1ccc(-c2cccc(N3CCC(NCCN4CCN(CC5CC5)CC4)CC3)c2)cc1 618009343 BOZBTKIPJBQGLD-UHFFFAOYSA-N 418.629 3.940 0 1 HHAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2cccnc2)cc1 653706730 PSYMRYLDFJWSKX-JOCHJYFZSA-N 412.449 3.530 0 1 HHAF CN(C)N1CCC2(CC1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961778289 QFZROJDMHBPEST-UHFFFAOYSA-N 400.567 3.606 0 1 HHAF CCCC(=O)C[C@@]1(C(=O)OCC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631542 FCWWFAOQGMSPOR-NVQXNPDNSA-N 420.553 3.951 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCCC[C@H]1C(C)=O)N(C(=O)c1ccccc1N)CC2 963144361 MJCMZWBAQMFUIB-UQBPGWFLSA-N 422.525 3.959 0 1 HHAF COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(C)c2Cl)c1 1772597113 JFXRDCZYPFPWDU-UHFFFAOYSA-N 419.884 3.578 0 1 HHAF Cc1cc([C@@H]2CN(C(=O)c3ccc4ccccc4c3)CC(F)(F)C2)n2ncnc2n1 1772624155 UPRBEZUZBRFEOC-SFHVURJKSA-N 407.424 3.851 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](N5CC5)[C@@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 1857622838 ZFVBYRDTMKLTPA-SEPBANATSA-N 415.574 3.639 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2ccncc2)CC[C@]1(C)O 2356288932 MVFWAGRBDOANMU-VWPQPMDRSA-N 401.576 3.762 0 1 HHAF CN(CC[C@@H]1CN(C(=O)COc2ccccc2)CC[C@H]1CC(=O)O)c1ccccc1 2356848121 PCSVOSMLIPYKMB-VQTJNVASSA-N 410.514 3.531 0 1 HHAF O=C1CC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CN1CC1CCCCC1 11936811 KTRUYVQKPSPOOL-IBGZPJMESA-N 417.981 3.808 0 3 HHAF CC(=O)OCC[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 205700467 NVBSSQAYDWACQW-RTWAWAEBSA-N 420.550 3.812 0 3 HHAF CC(C)[C@H]1CN(C(=O)OCc2ccccc2)[C@H]2N1C(=O)[C@@]2(C)OCc1ccccc1 1631558 DWEHYYMYUHOBEE-DPLHUUCSSA-N 408.498 3.807 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccc(Cl)cc2)CC1 13813897 UFVZMUBVKRFVII-UHFFFAOYSA-N 424.328 3.563 0 1 HHAF COc1cc([C@H]2Oc3cc(/C=C\CO)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 15211494 RGWQWUWITAFJJO-ALIVOICLSA-N 402.443 3.628 0 1 HHAF COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 27895174 FUZBDAGWGHASHR-QGZVFWFLSA-N 415.921 3.559 0 1 HHAF COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1 45257040 DQDNVYJAOVRUOQ-UHFFFAOYSA-N 404.455 3.692 0 1 HHAF Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccnc4cc(Cl)ccc34)C2)cc1 45337034 LTDJIUUUFJMVPE-MRXNPFEDSA-N 401.919 3.754 0 1 HHAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)CC1 82177408 JWXJFOZERBDSDY-UHFFFAOYSA-N 407.543 3.861 0 1 HHAF Cc1cc(C(=O)N2CCC(Oc3ccc4c(c3)CCN(C3CCC3)CC4)CC2)no1 103244690 MYAXDFIQUFKCGW-UHFFFAOYSA-N 409.530 3.620 0 1 HHAF c1cnc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cn3)nc1n2C1CCCC1 117684298 JXVCQGBDCQGWBV-UHFFFAOYSA-N 414.517 3.643 0 1 HHAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)c1ccncc1 118394099 ITARCDAWCMUQPF-LJQANCHMSA-N 402.433 3.857 0 1 HHAF O=C(N[C@H](CO)c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167686329 YXJFBRFCOAUDJT-JOCHJYFZSA-N 401.466 3.698 0 1 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 205473621 JNZHOKDMZKVPDT-RRFXTLBOSA-N 418.537 3.886 0 1 HHAF O=C1NC(=O)C2(c3ccccc3-c3ccccc32)N1S(=O)(=O)c1ccc(Cl)cc1 299852747 WZAFKPZMVYOHAB-UHFFFAOYSA-N 424.865 3.505 0 1 HHAF O=C(NC(=S)N1CCN(C(=S)SCc2ccccc2)CC1)c1ccccc1 299868967 SVZHCSNPIKEUHR-UHFFFAOYSA-N 415.609 3.537 0 1 HHAF COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4cccc(F)c4)cc3)c2c1 473159175 WYPOTYDAEGSEFA-UHFFFAOYSA-O 404.465 3.624 0 1 HHAF CCc1cc(O)nc(SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)n1 586967072 UEUKQJLAGSUXEM-UHFFFAOYSA-N 405.352 3.962 0 1 HHAF O=C1CCc2cc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3cc2N1 587019788 WHXOLEKZAIERQK-UHFFFAOYSA-N 409.496 3.809 0 1 HHAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587202070 BOMGUCQKTIVBNR-NSHDSACASA-N 424.345 3.679 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCC(O)CC1 587236520 AICAFTWVWFKRRL-UHFFFAOYSA-N 401.294 3.920 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C2)C3=O 587418522 IQVOAFOQZMEJRS-QKKBWIMNSA-N 401.846 3.892 0 1 HHAF C=CN1CCCC[C@@H]([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587441498 GCXVXEAJPZHACA-KHCICDEESA-N 404.466 3.505 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)cccc21 587457981 FDFRYJNXHDBTRM-LJQANCHMSA-N 402.244 3.920 0 1 HHAF Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587651316 HCCIORGTGGTNBF-UHFFFAOYSA-N 405.163 3.567 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)[C@H](O)c3ccc(OC)cc3)nc2c1 587938767 ZWJMWTQKJWYALZ-BTDLBPIBSA-N 419.275 3.958 0 1 HHAF CC(=O)SCc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587945218 IZGNSRPVAZMKTP-UHFFFAOYSA-N 411.842 3.694 0 1 HHAF COc1ccc2c(c1)[C@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)N(C(C)C)CC2 962088351 FQTTUHPZVKDMBQ-HSZRJFAPSA-N 412.555 3.731 0 1 HHAF O=C1c2ccccc2[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@@H]1c1ccncc1 962731488 SOAAPBRKKQNHDE-VIZSFHNOSA-N 422.406 3.951 0 1 HHAF Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)OC3CCCCC3)CC2)c1C 1857751740 NGAFLGMANRSOIV-UHFFFAOYSA-N 412.538 3.522 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCOC 4310532 IHHXWAXUQDBHTQ-LEWJYISDSA-N 406.523 3.870 0 1 HHAF CCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O 13448505 PQBVNXQHADVWCG-UHFFFAOYSA-N 423.532 3.949 0 1 HHAF O=C(O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 13493870 PTFUDYJJFMXNJA-UHFFFAOYSA-N 413.901 3.778 0 1 HHAF CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCN(C(=O)OCC)C2 22673120 ZDMGIZFQKKDWAO-UHFFFAOYSA-N 422.528 3.682 0 1 HHAF in-vitro COc1ccc(S(=O)(=O)n2c(=O)cc(-c3ccccc3)c3ccccc32)cc1OC 26579927 GCMKMKMICPPCHJ-UHFFFAOYSA-N 421.474 3.923 0 1 HHAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCO)[C@@H]1c1cccc(Cl)c1Cl 27522576 GCBHFBXKRODTDJ-OVGFGYAMSA-N 400.258 3.777 0 1 HHAF CO[C@@H]1C[C@@]2(CC[C@]3(O2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 35919093 GDSNRTJTRDXNIY-QXFPIHOVSA-N 408.535 3.794 0 1 HHAF biogenic,in-vitro Cc1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccc(C(F)(F)F)cc3)C(=O)O2)cc1 40897248 RTIZMKSGLCTBFX-SYEXPRJDSA-N 420.383 3.932 0 1 HHAF Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 73200012 SJTWUBFMJFGENT-HKBUGEINSA-N 407.601 3.844 0 1 HHAF CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 95552365 NSFXNYRTFOGQJW-LZAZYHHXSA-N 407.539 3.986 0 1 HHAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3ccc[nH]c3=O)ccc1-2 96269659 FCNPPPJJIYEWFA-UHFFFAOYSA-N 405.483 3.940 0 1 HHAF Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C 96283178 APCRSSNOIQOSHG-UHFFFAOYSA-N 401.410 3.908 0 1 HHAF COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 100705916 FQWDVKWVJIJRAC-LBPRGKRZSA-N 409.467 3.893 0 1 HHAF COc1ccc2c(c1)cc(C(=O)NCCCCCC(=O)Nc1ccccc1N)n2C 117584478 BFRHVORGADPJTP-UHFFFAOYSA-N 408.502 3.698 0 1 HHAF COc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143507332 RBZKDKIPCWVWKA-FQEVSTJZSA-N 418.371 3.812 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3ccccc3C)no2)c1 218164118 RTSMIOKUBXCXSN-IBGZPJMESA-N 400.442 3.521 0 1 HHAF COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2cn1 586950396 VJLIWWKIQCBWMJ-UHFFFAOYSA-N 422.466 3.521 0 1 HHAF COc1cc(Br)c([C@@H](N)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC 586977213 ZBVVPOUOBWPGAX-GFCCVEGCSA-N 411.687 3.748 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4nc(OC)ccc4[nH]3)cc2cc1Br 587001441 ZXBALJJEIDEUCF-UHFFFAOYSA-N 416.231 3.901 0 1 HHAF Fc1ccc(I)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587182062 CXKQCVNUHGDDFQ-UHFFFAOYSA-N 408.096 3.734 0 1 HHAF Nc1ccc(C(=O)CCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 587251194 BLLKEDCJAQJUMR-UHFFFAOYSA-N 424.096 3.881 0 1 HHAF CCOC(=O)[C@]1(c2nc3ccccc3n2C)CC(=O)c2ccc3c(c2O1)CCCC3 587516993 YURMNMTUVKZRSU-XMMPIXPASA-N 404.466 3.876 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587742621 AXSGPSQXSXAEAS-GIGQVBGESA-N 405.267 3.567 0 1 HHAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C=O)c1 587805525 HIGMIOIKYCTDOO-MGNBDDOMSA-N 406.251 3.811 0 1 HHAF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1nc(N2CCCCC2)ncc1F 587945164 LOIVQQWSKPYPHF-UHFFFAOYSA-N 414.506 3.776 0 1 HHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(Br)c(OC)cc1OC 617965229 YBGSBEKTFQRPBX-SXWSKBOKSA-N 415.309 3.663 0 1 HHAF CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962637405 ZSXRNXRXDQPFBF-YTEVENLXSA-N 423.431 3.804 0 1 HHAF C[C@]1(c2cc(Br)cs2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228149 NIZWYLKOKRYBST-QAPCUYQASA-N 403.301 3.921 0 1 HHAF Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4c(=O)n3C)cc2)n1 1772641429 YWGMJOFUWHMUTC-UHFFFAOYSA-N 423.476 3.975 0 1 HHAF Cc1ccc(-c2nc3c(c(-c4ccc(Cl)cc4)c2N)c(=O)n(C)c(=O)n3C)cc1 1857633079 DPTXZROVGOFFGA-UHFFFAOYSA-N 406.873 3.510 0 1 HHAF CCOC(=O)[C@@H](C)Sc1nnc(COc2ccccc2OC)n1-c1ccccc1 1632339 IJHBOLYIWIMYFD-OAHLLOKOSA-N 413.499 3.899 0 1 HHAF COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]32)cc(OC)c1OC 6403623 ONDWGDNAFRAXCN-CALQCPNCSA-N 400.427 3.516 0 1 HHAF CC(C)[C@H](N)CNc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 34997565 NNLCUDVEWOVADM-LJQANCHMSA-N 408.527 3.944 0 1 HHAF Cc1n[nH]c2ccc(-c3nnc(NC[C@@H](N)Cc4ccc(F)c(F)c4)s3)cc12 38225322 NQKAFIFFMXPFFK-ZDUSSCGKSA-N 400.458 3.650 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21 45390591 PFQMQZUBTCVKMM-UHFFFAOYSA-N 400.438 3.733 0 1 HHAF O=C(NC1CC1)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)C2 73197184 CHUGQQBPFHBEPS-IBGZPJMESA-N 405.433 3.708 0 1 HHAF C[C@@H](CNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O)c1ccccc1 82188891 OLOWCQXFLLNJLH-KRWDZBQOSA-N 418.545 3.932 0 1 HHAF O=C(CCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)NCc1cccnc1 84742434 NCWGBJQJBMEBSN-UHFFFAOYSA-N 424.404 3.625 0 1 HHAF Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1 95576373 RBDDOEXDQAPTRT-UHFFFAOYSA-N 420.476 3.995 0 1 HHAF CC(C)(C)NC(=O)[C@@H](c1cn[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95595772 PKAPNSMUPSWCCR-LJQANCHMSA-N 423.517 3.998 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cc(F)ccc54)ccc31)[C@@H]1CC[C@@H](C2)N1 100632573 NTHDPRNZKGYSQU-YJBOKZPZSA-N 409.486 3.858 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccc(C)cc5s4)C[C@H]3C2)c(OC)c1 116827175 LYNLZOHBLSXUEN-HZPDHXFCSA-N 423.538 3.830 0 1 HHAF COc1ccc(Nc2nc3c(Nc4ccc(S(C)(=O)=O)cc4)cccn3n2)cc1 147007044 XGCIZHNKUOIIEC-UHFFFAOYSA-N 409.471 3.629 0 1 HHAF CN1C(=O)[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 169700382 HJLLROHCPQJCME-QFIPXVFZSA-N 424.342 3.553 0 1 HHAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1cc(F)ccc1F 205726117 WZOSBAVNAOHRMV-UHFFFAOYSA-N 409.439 3.753 0 1 HHAF Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1 218385125 ONTCCATZGRMXGS-DZGCQCFKSA-N 412.881 3.594 0 1 HHAF CO[C@@H]1C=C(CC[C@]2(O)[C@@H](C)C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]32C)C(=O)O1 238762616 JCLASDLCCPVVAB-YLBPXGAQSA-N 408.535 3.758 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(CO)[C@@H]3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]12 253684714 PKVICYZLWZIYRA-WWTNRWSKSA-N 404.591 3.890 0 1 HHAF CO[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261134045 LSKZCQKQGRUHKQ-BJLQDIEVSA-N 416.562 3.695 0 1 HHAF Cc1cc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)no1 299864690 RWIBHZKMPHHIQW-UHFFFAOYSA-N 411.439 3.502 0 1 HHAF CC[C@@H](c1nc2cc(F)cc(F)c2[nH]1)n1cc(I)c(C)n1 587186421 WAGIKRJIWCKGMG-LBPRGKRZSA-N 402.186 3.950 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348178 MWIYLCGUDXRIET-NFBKMPQASA-N 414.429 3.807 0 1 HHAF COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587389875 MUCWLVIBZFYOQU-HSZRJFAPSA-N 422.437 3.932 0 1 HHAF CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445173 XNQFXKYIWGJTNH-KOSHJBKYSA-N 410.466 3.862 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587449600 PXRWAGMZIZKVSH-MBSDFSHPSA-N 423.490 3.705 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(C[C@H](CC(=O)OCC)C(=O)OCC)CC2=O 587481535 NATKJPOQQOSUPB-RCDICMHDSA-N 406.475 3.591 0 1 HHAF Cc1[nH]nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br 587542084 WSHSXBPEYXALPT-FZKQIMNGSA-N 401.216 3.889 0 1 HHAF COc1ccc(OC)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661518 ZFMAHVBWHUDMOA-UHFFFAOYSA-N 404.397 3.908 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 587767093 IKWZADBDFQLNPD-RNODOKPDSA-N 403.295 3.750 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2C(=O)COc3ccccc32)N1 587769450 NOGUHOLWJXRVNE-BDJLRTHQSA-N 405.267 3.589 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587796561 ULIJBERELFZYNG-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)C[C@H]1C 653745700 MTIZOXXUAPPZTG-QGZVFWFLSA-N 400.486 3.539 0 1 HHAF COC(=O)c1c(N)sc2c1CCC[C@@]21c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618011 CSLLQRCCJWWISX-VERVWZFWSA-N 416.543 3.590 0 1 HHAF CC(C)=C1Oc2c(ccc(O)c2C)[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963222002 GFFUSCLUEZDHPA-CYFREDJKSA-N 402.450 3.778 0 1 HHAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(F)c(F)c1 1772601465 VLIVVRVETMYTHW-YLJYHZDGSA-N 422.422 3.896 0 1 HHAF O=S(=O)(c1cccc(F)c1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 1772609958 AINSNGVWQPIPRV-UHFFFAOYSA-N 406.866 3.697 0 1 HHAF C[C@@H](CO)NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772654520 PIGHXCFXIHFLAK-TYZQSYOASA-N 413.481 3.983 0 1 HHAF O=C(c1ccc2n[nH]cc2c1)N1CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 1857577327 ULLIHRHSMFNOFE-QHCPKHFHSA-N 424.504 3.659 0 1 HHAF Cn1c(=O)nc(O)c2c(-c3ccccc3)c(N)c(-c3ccc(Br)cc3)nc21 1857635450 XMANAYYOTRQBJP-UHFFFAOYSA-N 423.270 3.713 0 1 HHAF CC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(O)c(C(=O)CO)c(O)c(CC=C(C)C)c2O1 2356410596 PEFJLTHYBPRVEW-WZONZLPQSA-N 404.503 3.582 0 1 HHAF COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@H](CC(=O)OC)[C@H]21 1858478 BLCGEGXEZPZFNQ-YCRPNKLZSA-N 404.422 3.547 0 1 HHAF COc1cccc(OC)c1[C@@H]1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258882 ALGWFSZKLHWWKG-INIZCTEOSA-N 424.419 3.618 0 1 HHAF Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)cnc12 103256109 JTEZPYCVHLQJEA-UHFFFAOYSA-N 417.853 3.922 0 1 HHAF C[C@@H](COCC(=O)O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 26652545 GMBVIHZWCQLUJW-JPYJTQIMSA-N 416.949 3.784 0 1 HHAF CC(C)C[C@@H](CSCC(=O)O)NC[C@@H]1CCCN1C(=O)OCc1ccccc1 28095548 QVKBFBVWPGANEL-OALUTQOASA-N 408.564 3.610 0 1 HHAF O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O 29126998 MGOWFSPLAUIYQB-HXUWFJFHSA-N 405.498 3.559 0 1 HHAF Cc1ccccc1CC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 29320551 KPGHPIKMOMXLLY-BVAFDOMYSA-N 406.563 3.852 0 1 HHAF COc1ccc(C[C@@H](N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 61903316 DEGMRUZMMGKOGP-QGZVFWFLSA-N 403.529 3.541 0 3 HHAF CCCc1c(CCN(C)C)c2cc(OC)ccc2n1S(=O)(=O)c1ccccc1 28379296 DDBMUIPBESGQDO-UHFFFAOYSA-N 400.544 3.944 0 1 HHAF Cc1ncnc2c1ncn2COC(COCc1ccccc1)COCc1ccccc1 27181110 WQTAGZALMRLQHG-UHFFFAOYSA-N 418.497 3.911 0 1 HHAF O=S1(=O)c2ccccc2O[C@@H](COCc2ccccc2)CN1Cc1ccccc1 61944803 WHRYHDZPHIYWHL-OAQYLSRUSA-N 409.507 3.855 0 3 HHAF CCCC[C@]12C[C@@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 34821590 HXVDIINIFFRSGI-FGZHOGPDSA-N 411.889 3.848 0 1 HHAF CCCCn1nnnc1[C@@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 72104359 ZLHVRSIJBYGXLS-ICKBMGCOSA-N 422.602 3.955 0 3 HHAF Cc1n[nH]c2cnc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(F)c4F)c3)cc12 45290259 CPCXSCJROAJTRO-AWEZNQCLSA-N 413.403 3.694 0 1 HHAF CCCCOCCOC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085847 UWBATQAPKGAKFB-UHFFFAOYSA-N 410.470 3.927 0 1 HHAF COc1ccc(Oc2ccc3c(O)c(C(=O)NCC(C)(C)C(=O)O)ncc3c2)cc1 146674448 MWTHTDNUNOIXLR-UHFFFAOYSA-N 410.426 3.582 0 1 HHAF CNC(=O)c1ccc(F)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 143897458 MVANLGQSPHWGFY-UHFFFAOYSA-N 418.476 3.996 0 1 HHAF O=C(c1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 143271829 FJGMRWVMPZGUIC-NRFANRHFSA-N 411.383 3.768 0 1 HHAF CCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OCC)c(OC)c2)ccc1O 95583628 KXJWHEOVGLTUMC-ZWKOTPCHSA-N 400.471 3.773 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2Cc3ccccc3C2=O)N1 587776702 YFQLZNXYUUZVSL-MPBGBICISA-N 403.295 3.994 0 1 HHAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc3ncccc3c2[nH]1 587184845 GIAWEDHQPUBCNS-AWEZNQCLSA-N 414.250 3.958 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 587736345 ZKQCDQYJMPTGEF-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1CN4C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587436259 OYVUYTKSUNYECH-MIVVTYSHSA-N 405.450 3.612 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)OC)CC2=O 587473976 BINLKQGFMCTBJQ-NBGIEHNGSA-N 423.509 3.744 0 1 HHAF C[C@]1(c2ccc(N3CCCS3(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531009 HZSAQDHLDGCADB-HSZRJFAPSA-N 411.523 3.986 0 1 HHAF Cc1c(O)ccc2c1[C@@H](c1cccc(Oc3ccc(Cl)nn3)c1)N[C@H](C(=O)O)C2 963550128 KHDPEVBOBROYHR-MGPUTAFESA-N 411.845 3.625 0 1 HHAF C=CC(=O)Nc1ccccc1[C@H]1CCNc2c(C(N)=O)c(-c3ccc(F)c(C)c3)nn21 1772626099 NOVYBXHQPJERBM-GOSISDBHSA-N 419.460 3.626 0 1 HHAF O=C(CCc1nnc(CCC2CCCCC2)o1)N1CCC[C@@H](CN2CCCC2)C1 11933898 VKBZKJXBPAGBQL-FQEVSTJZSA-N 402.583 3.850 0 3 HHAF CC(C)(C)Oc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707207 ASGHNNSLXVWWOJ-KRWDZBQOSA-N 418.497 3.791 0 1 HHAF O=C(/C=C/c1ccccc1)OCc1cn(Cc2ccc(OC(F)(F)F)cc2)nn1 1857549550 DQJDWHCSVKFOHR-DHZHZOJOSA-N 403.360 3.982 0 1 HHAF O=C(NO)[C@H](Cc1ccccc1)n1nnc(-c2ccccc2)c1C#Cc1ccccc1 221319365 JMEPDOCHFSIAAG-QHCPKHFHSA-N 408.461 3.634 0 1 HHAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO 4208888 QLNUSVHFCDNPIS-AZUAARDMSA-N 416.905 3.575 0 1 HHAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 5070418 JREWSJUQFXYCBW-GHTZIAJQSA-N 409.530 3.570 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccsc2)[C@H]1Oc1ccc(C(=O)O)cc1 27195349 PSEHOKYWRAZFLV-SFHVURJKSA-N 402.472 3.710 0 1 HHAF CN(CCOc1ccc(CC[C@@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 27323346 KZZJRJLNXTWZFS-SFHVURJKSA-N 411.483 3.627 0 1 HHAF O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCN(c2ccccn2)CC1 27648061 XIOIYDRBYJBMKK-UHFFFAOYSA-N 412.921 3.556 0 1 HHAF Cn1c(=O)[nH]c(N2CCC(CCCc3ccccc3)CC2)c(Cc2ccccc2)c1=O 28708001 SFAUWAVPRWBHPA-UHFFFAOYSA-N 417.553 3.904 0 1 HHAF NCCCn1cc(C2=C(c3csc4ccccc34)C(=O)NC2=O)c2ccccc21 29125148 FIYFOWGFMQUCQZ-UHFFFAOYSA-N 401.491 3.772 0 1 HHAF CCCCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 35079201 MDELNINZIPQAOZ-IRXDYDNUSA-N 405.930 3.540 0 1 HHAF CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCCCc3ccccc3)ncnc21 82179946 XJVBTOZTODPQFW-UHFFFAOYSA-N 418.501 3.576 0 1 HHAF NC(=O)c1nc2ccc3ncnc(Nc4ccc(F)cc4Br)c3c2s1 96270430 GDFYUGGDTISZFA-UHFFFAOYSA-N 418.251 3.984 0 1 HHAF O=C(c1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 143271616 FJGMRWVMPZGUIC-OAQYLSRUSA-N 411.383 3.768 0 1 HHAF O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4ncccn4)ccn23)c1 147226669 XOTLEVMNJUVPII-UHFFFAOYSA-N 413.363 3.537 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(C)c2)c1 169707019 MYJVZWCQSLHNHT-LJQANCHMSA-N 402.498 3.875 0 1 HHAF N[C@H](CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3)Cc1ccccc1 223691506 AOFFBJFIIAWVEQ-INIZCTEOSA-N 404.543 3.942 0 1 HHAF Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)n1 586966570 JAEQNLFPGYDVHP-UHFFFAOYSA-N 421.198 3.838 0 1 HHAF Brc1c[nH]c2nc(-c3nc(Br)sc3C3CC3)nc-2n1 587012103 GEXKQZBJQHXQOK-UHFFFAOYSA-N 401.087 3.830 0 1 HHAF N[C@H](N=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019429 MCWMJUJRFVMPGK-QGZVFWFLSA-N 407.459 3.978 0 1 HHAF Clc1ccc(-c2nnc(CCc3nc4nc(Br)c[nH]c-4n3)o2)cc1 587075398 CUVVBBQSRJWEGL-UHFFFAOYSA-N 405.643 3.556 0 1 HHAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cc3c(O)nc(O)nc3nc12 587561525 SOGJZVXWNLVFKR-QFVRTAKZSA-N 407.514 3.773 0 1 HHAF C[C@@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597061 UIPSYFVNXYCGLT-RDGATRHJSA-N 416.477 3.679 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)nc2)N1 587687599 YWWPLYZENLXHGN-CPFSXVBKSA-N 401.077 3.764 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cnc3ccccc3c2=O)N1 587772526 HTZIOGNROSENKH-MPBGBICISA-N 416.294 3.748 0 1 HHAF COc1cc(C)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799870 ZKWUUENBRSATGD-OVWNDWIMSA-N 405.267 3.635 0 1 HHAF CC(=O)Nc1nc2ccc(OCC3=NN(C(C)=O)[C@@H](c4ccccc4)O3)cc2s1 653792918 DRMAFBIGYPROEG-LJQANCHMSA-N 410.455 3.525 0 1 HHAF Cc1ccc(OCc2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)no2)cc1C 23337635 JNKFYNXKZZYSLU-HSZRJFAPSA-N 405.498 3.999 0 3 HHAF CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 2487169 ZKYWIVWBEZUGQX-LJQANCHMSA-N 417.550 3.593 0 1 HHAF O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 3042061 RUXNOUHQUIHIPK-UHFFFAOYSA-N 407.470 3.790 0 1 HHAF O[C@](Cn1ccnc1)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 103173040 BVADCBSYAQDXHQ-HXUWFJFHSA-N 413.840 3.647 0 1 HHAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCCC3)c2O)c(=O)c1=O)c1ccccc1 101278161 PRHPTOABMFCCAL-QGZVFWFLSA-N 419.481 3.531 0 1 HHAF COc1ccc([C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 115731669 QDCJERDRJJAYLT-JOCHJYFZSA-N 423.490 3.882 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C1 29416388 AORBODFCLVZZFJ-BHYGNILZSA-N 417.912 3.820 0 1 HHAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 2356669443 BTFQJFZPYGOKLE-SIKLNZKXSA-N 410.493 3.877 0 1 HHAF CCN(C)CCN1C(=O)[C@@H](O)[C@H](c2ccc(OC)cc2)Sc2cc(Cl)ccc21 34595882 ISCCGEOIRNWELU-PMACEKPBSA-N 420.962 3.841 0 1 HHAF Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1 40538331 FGBDLJIVZVBTAG-UHFFFAOYSA-N 401.514 3.616 0 1 HHAF COc1cc(OC)cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)c1 45392634 RQQSPQQAPBVUGP-UHFFFAOYSA-N 401.422 3.864 0 1 HHAF COc1cc2nc(N3CCOCC3)nc(NCc3ccc(Cl)cc3)c2cc1OC 82126942 YZLKOQFGXBHNQD-UHFFFAOYSA-N 414.893 3.749 0 1 HHAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(Cl)cc(Cl)c21 45302882 DTUWWPOFDNGQQJ-UHFFFAOYSA-N 404.190 3.644 0 1 HHAF Cc1ncc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)s1 149258866 ZZHJIIGEEWQXPG-UHFFFAOYSA-N 415.522 3.878 0 1 HHAF O=C1COc2ccc(NC(=O)N[C@@H]3CCOc4cc(C(F)(F)F)ccc43)cc2N1 143556043 VNHWKCJOXSTIPZ-CYBMUJFWSA-N 407.348 3.682 0 1 HHAF O=C(c1cn(-c2ccccc2)nc1-c1ccsc1)N1CCN(c2ccncc2)CC1 98083358 HDAMBTUCVCVEQO-UHFFFAOYSA-N 415.522 3.958 0 1 HHAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 299880771 MVLMLUFVSRJKDS-GPXNEJASSA-N 419.525 3.639 0 1 HHAF FC1(COc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CCNCC1 641718902 MXXYXHDCXHLMOY-UHFFFAOYSA-N 410.371 3.765 0 1 HHAF N=c1[nH]c2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc-2c(Cl)[nH]1 587028480 YKOOJEJLIPQXBX-AGIUHOORSA-N 416.938 3.507 0 1 HHAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2c1 587035510 QYOGGAVMRGGPLG-UHFFFAOYSA-N 416.528 3.927 0 1 HHAF COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420274 FDUHFECWWFYKDD-QRWLVFNGSA-N 406.356 3.920 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587440298 YAWBVKUPLVBECO-BVZALQNUSA-N 407.466 3.860 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587470 NXVTTWFKQAIXDT-WZONZLPQSA-N 421.405 3.824 0 1 HHAF COCOc1cccc([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587435881 JSPAXFKUNOLCST-YKSBVNFPSA-N 403.434 3.764 0 1 HHAF COc1cc(C)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799085 WDECHYQQDMXTLW-APBUJDDRSA-N 405.267 3.635 0 1 HHAF Cc1c(N[S@@](=O)c2ccc(Br)cc2)c(Cc2ccccc2)[nH][n+]1C 1772611847 NJHUFKWAEGXZGO-DEOSSOPVSA-O 405.341 3.636 0 1 HHAF COc1nc(C2=NOC[C@H](COc3ccc(F)cc3C)N2)ccc1-c1ccnc(C)c1 1772647575 VPMUVAMUJRCKBH-SFHVURJKSA-N 422.460 3.637 0 1 HHAF COc1c2c(c(OC)c(O)c1-c1c[nH]c3ccccc13)[C@]1(O)c3ccccc3N[C@H]1O2 13462678 BNNQNJBXFAFMOE-BJKOFHAPSA-N 416.433 3.938 0 1 HHAF biogenic COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cc(C)sc3C)c2C)cc1 14967580 UKFTWWREDUACPV-CYBMUJFWSA-N 405.545 3.907 0 3 HHAF O=C(Nc1cc(C2CC2)on1)n1ccc2cc(Oc3ncnc4c3CNC4)ccc21 201317179 IFWNPAWLKUVJGK-UHFFFAOYSA-N 402.414 3.772 0 1 HHAF COc1ccc(CCN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1OC 1857615291 GNHXYBDOJNQUSM-QHCPKHFHSA-N 410.514 3.984 0 1 HHAF COc1ccccc1N1C(=O)CS(=O)(=O)[C@@H]1c1cccc(Oc2ccccc2)c1 6040337 UEHRTDGCXOWAEL-JOCHJYFZSA-N 409.463 3.948 0 1 HHAF COCC[C@H]1CCCCN1Cc1nc(N2CCCC2)c2cc(OC)c(OC)cc2n1 12020716 CJIGLQKDISECFD-QGZVFWFLSA-N 414.550 3.638 0 1 HHAF Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1 13488568 PGLYDSGUCPWXPB-UHFFFAOYSA-N 412.375 3.973 0 1 HHAF CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)C1 22927367 UBNXBSGSHZWMSW-XMMPIXPASA-N 421.585 3.994 0 1 HHAF O=C(CN1CCN(Cc2ccccc2)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 22940475 GARYYLNNWQOSNP-AREMUKBSSA-N 406.570 3.841 0 1 HHAF C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Cc1ccccc1)OCO3 25987772 WNFXGKOLZKHPOX-INIZCTEOSA-N 413.477 3.766 0 1 HHAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)c3ccc4c(c3)OCCO4)[C@@H]2C1 26144550 KVEUUAKBUZQLMT-HJLBQGHPSA-N 414.498 3.636 0 1 HHAF C[C@]1(O)CC[C@H]2[C@H]3CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@@H]3CC[C@@]21C 26185462 WUXOBBJUEKXKHZ-YWJLGXAASA-N 404.576 3.624 0 1 HHAF COc1ccc(C2=NN(Cc3cccc(C(=O)O)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26507172 ITLJCTJVLVIKBE-OALUTQOASA-N 422.481 3.955 0 1 HHAF COc1ccc([C@@H]2[C@@H](S(=O)(=O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27861139 GGGSSCSHLMDPKT-DHIUTWEWSA-N 421.518 3.809 0 1 HHAF c1coc(COc2nnnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)c1 28949381 ZSTWJPBXYVSWGA-UHFFFAOYSA-N 423.498 3.522 0 1 HHAF CCc1nn(CCO)c(NC(=O)c2cccnc2)c1Cc1cc(Cl)cc(Cl)c1 45300897 KRDAROKVQLIRRQ-UHFFFAOYSA-N 419.312 3.983 0 1 HHAF CCOC(=O)c1cc(C(N)=O)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1 66260027 NQAJNWXTVRLBIV-UHFFFAOYSA-N 419.359 3.714 0 1 HHAF C[C@@H]1CC[C@@H](N2CC[C@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 73219251 XXRJWFOMOOANJW-YMJPAYASSA-N 414.553 3.912 0 1 HHAF O=C(c1cccnc1)N1CCC(c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)CC1 118717295 VCKJLGPNDUAGIY-UHFFFAOYSA-N 410.481 3.949 0 1 HHAF COc1ccc(Cn2[nH]c(C(F)(F)F)c(Cc3ccc4c(c3)OCO4)c2=O)cc1 140839615 IJWDQMCDEQODOQ-UHFFFAOYSA-N 406.360 3.572 0 1 HHAF CC(=O)Nc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(=O)O)C[C@H]2C)cc1 261113523 IJOSWIDZDBURQU-JKSUJKDBSA-N 413.543 3.780 0 1 HHAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C[C@@H]3COCCO3)[nH]c12 586909649 HOEUXWHJXNOHED-CQSZACIVSA-N 405.376 3.792 0 1 HHAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1 587170015 MIFAROQBBCNYRK-MRXNPFEDSA-N 416.865 3.818 0 1 HHAF Cc1cnc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 587186780 UDXDFOWCODXBQH-UHFFFAOYSA-N 409.618 3.839 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587449375 AEQKERNLHVUZPR-WNSKOXEYSA-N 404.491 3.914 0 1 HHAF C[C@]1(c2ccc(N3CCN(CCO)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512810 FPACETIHYDWIQV-AREMUKBSSA-N 420.553 3.560 0 1 HHAF CCOC(=O)c1c(N)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576642 PELUVYSLCWGLSF-JPYJTQIMSA-N 423.421 3.930 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cc(Br)cn2)N1 587684286 PFFKOBKFXMMTLN-BJOHPYRUSA-N 417.120 3.997 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc(N)c2)N1 587746289 MCVFETIUBYLVFZ-WYRIXSBYSA-N 407.283 3.813 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cnc3ccccc3c2=O)N1 587772532 HTZIOGNROSENKH-YUNKPMOVSA-N 416.294 3.748 0 1 HHAF CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 653795378 QDDAZGJHFOMGKH-UHFFFAOYSA-N 402.560 3.632 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C 653916396 PEFYDELFDHTYQQ-UHFFFAOYSA-N 400.862 3.876 0 1 HHAF Nc1ccccc1-c1nc([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)co1 962625213 BVTGWUNPEYFFBT-DYVFJYSZSA-N 419.359 3.511 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc3nc(O)oc3c2)N1 963202402 ZHKROHXFNQJSEO-ABAIWWIYSA-N 412.751 3.894 0 1 HHAF Cc1nn(Cc2ccc(-c3nc4cc(Cl)cnc4[nH]3)cc2F)c(C)c1CC(=O)O 1772622255 VVTMFYXLDUDZJP-UHFFFAOYSA-N 413.840 3.906 0 1 HHAF CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 1857745424 MPTILXYZFCMZHW-UHFFFAOYSA-N 424.574 3.602 0 1 HHAF CCCSc1nc(Oc2ccccc2)c2[nH]c(=O)c(=O)n(Cc3ccccc3)c2n1 1857749575 OWHGYNJEIUJFCV-UHFFFAOYSA-N 420.494 3.823 0 1 HHAF F[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@H]1OCc1nc2cnccc2[nH]1 2356328997 PDMXAEHTJSAIPP-RHSMWYFYSA-N 410.371 3.596 0 1 HHAF CC[C@H](O)[C@@H]1[C@H]2CC[C@@H]3CC=C4OC(=C5OC(=O)C(C)=C5OC)[C@H](C)[C@H]4[C@@H](CC2)N13 2356503949 ZOUDZLSCIFATNZ-QQQVCQMJSA-N 415.530 3.628 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)[C@@H](O)[C@@]21C 4758552 DBKCKIVBUXCUCX-BOUFHLEDSA-N 406.563 3.657 0 1 HHAF CNCCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585134 SFDFWMUGDITDAI-UHFFFAOYSA-N 418.737 3.553 0 1 HHAF CCOC(=O)c1cccc(CO[C@H](COCc2ccc(OC)cc2)Cn2ccnc2)c1 29335721 BDHLHHXFGQPOEN-QHCPKHFHSA-N 424.497 3.871 0 1 HHAF CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@@H]5C(=CC[C@@H]23)C(=O)O[C@@]5(O)C[C@@]4(C)O)O1 40894914 ABMVTHXMVSOQJZ-PKZDBUNOSA-N 416.558 3.885 0 1 HHAF CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)cc(OC)c1)C1=C(COC1=O)N2 40939698 MLLMOEYOYIHXPK-NRFANRHFSA-N 411.454 3.870 0 1 HHAF COc1ccc(NC(=O)CCNc2cc(C)nc(NCCc3ccccc3)n2)cc1 45202389 HMVVPERDHAORLR-UHFFFAOYSA-N 405.502 3.889 0 1 HHAF CC(C)C[C@@H]1n2cncc2CN(Cc2ccc(OC(F)(F)F)cc2)S1(=O)=O 58512165 GUDPVWCEUPKJOV-MRXNPFEDSA-N 403.426 3.672 0 1 HHAF CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@H](CCc2ccccc2)C1=O 58689556 IMMCKYJRSDYXJG-NLFFAJNJSA-N 407.510 3.648 0 1 HHAF Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-c2cccnc2OC(F)F)cc1 66259907 AVAMLNIBPCMXPJ-LLVKDONJSA-N 423.441 3.994 0 1 HHAF COCCOc1ccc(-c2nc3ccc(OCC4CC4)nn3c2Br)cc1 72173433 KXNHDYLTGGVDNP-UHFFFAOYSA-N 418.291 3.973 0 1 HHAF COc1ccccc1CN1[C@@H]2CN(C(=O)C3CCCC3)c3ccccc3[C@@H]2[C@@H]1CO 95893427 VWYNOJZKLPMZPG-GPXNEJASSA-N 406.526 3.561 0 1 HHAF CSc1cnc(-c2ccc(NC(=O)Nc3cccnc3)cc2)nc1N1CCOCC1 118160960 KKOWTUMDZXHYPC-UHFFFAOYSA-N 422.514 3.741 0 1 HHAF CC(C)CC(=O)N1CC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166023249 BIZKTPKQPKRZMM-NRFANRHFSA-N 408.502 3.655 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CC(=O)N[C@@H]3C)nn2-c2ccccc2)c1 169706955 VLITZOXPAMVUQW-UZLBHIALSA-N 402.498 3.955 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@H]3C)nn2-c2ccccc2)c1 169706973 YIGIQJKRHOFZTA-OXJNMPFZSA-N 402.498 3.812 0 1 HHAF COc1cccc([C@@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC 169715408 DIBKCKZXBFTWSV-PRWKNARSSA-N 419.886 3.732 0 1 HHAF COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2ccco2)cc1 205825335 SYTKKLIIJIDYAZ-LDADJPATSA-N 403.394 3.743 0 1 HHAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586953341 MMJSBWLYPVLLGO-UHFFFAOYSA-N 410.402 3.905 0 1 HHAF CC(=O)N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 586983904 ANFCDPXOKSQZQP-AWEZNQCLSA-N 420.238 3.583 0 1 HHAF NS(=O)(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587121923 HMGDOMLLNBDLSA-UHFFFAOYSA-N 417.434 3.542 0 1 HHAF O=C(CCc1nc2ccc(I)cc2[nH]1)Nc1cccc(F)c1 587164112 ZGIJXUGYQYPWDR-UHFFFAOYSA-N 409.202 3.878 0 1 HHAF N=C(N)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587230664 HIWGGXAPLVLPFJ-UHFFFAOYSA-N 414.469 3.736 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(Cl)cc1)CC2=O 587460052 FHKIZFIWIWJOFU-QFIPXVFZSA-N 416.857 3.991 0 1 HHAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587567607 HYHYVNUMMIMLCM-NQIIRXRSSA-N 414.410 3.638 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2Cn1cncn1 587582816 RFKRYBOBJDLVOP-CGYQNGNCSA-N 405.454 3.965 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2nccn2C)N1 587753015 GZJXUXDYDJVPBU-MPBGBICISA-N 415.310 3.730 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCN(C)C2=O)N1 587767083 IKWBTHYRCNQCKM-NZCGUCNHSA-N 417.322 3.844 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 587799039 VWVIDOXQLFILNW-QTPGKHNVSA-N 417.322 3.839 0 1 HHAF CCOc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)ccc1OCC(N)=O 962670052 UKTORTAJRXUKFW-RUZDIDTESA-N 402.494 3.852 0 1 HHAF COc1cc2c(cc1OC)[C@H](c1cc(F)cnc1C)N(C(=O)c1ccccc1N)CC2 963158585 SDMBFMDRJJGSPL-QHCPKHFHSA-N 421.472 3.916 0 1 HHAF CCOc1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC 1857746328 YVBPGGPLSRCXIM-UHFFFAOYSA-N 422.363 3.826 0 1 HHAF COC1=C(C(C)C)[C@@H]2CC=C(C)[C@@H]3OC(=O)C[C@@H]3C(=O)[C@H](C)CC[C@]2(C)OC1=O 2356406919 LDNGIXCVOPOZFN-VRXNPXOKSA-N 404.503 3.742 0 1 HHAF CC(=O)OC[C@@]1(C(=O)O)[C@H]2CC[C@@]34C[C@@H]5[C@H](C[C@@H]3[C@@]2(C)CC[C@H]1OC(C)=O)[C@]5(C)C4 2356408629 LHKQQWKOWNPPSN-FPOAEJRGSA-N 418.530 3.815 0 1 HHAF COC1=C(C)C(=O)OC1=C1O[C@@H]2CCCn3c([C@@H]4C[C@H](C)C(=O)O4)ccc3[C@@H]2[C@@H]1C 2356637095 GZYSVEMTTMYHDO-CIIZFGMBSA-N 413.470 3.713 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2CC[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@H]21 2356813544 CHWCXTAKZKUCIZ-NSMDVHHJSA-N 412.567 3.774 0 1 HHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356835740 PVOQSJZKMPTAJW-OTWHNJEPSA-N 407.542 3.619 0 1 HHAF COc1ccc(CNCCCn2cnc3c(OCc4ccccc4)ncnc32)cc1 61935971 AHVBAMZJFIMUDC-UHFFFAOYSA-N 403.486 3.594 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 72140738 KDMUXRRGYZHBNJ-SFHVURJKSA-N 409.866 3.714 0 3 HHAF COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)c4cccn4C)CC3)C2)cc1 3956309 LGLRAOKQHJHTLE-UHFFFAOYSA-N 410.518 3.584 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOCCO 4213618 CUQSYUBATGNLIW-OALUTQOASA-N 414.905 3.618 0 1 HHAF CC(C)(C)OC[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](C3CCCCC3)N2C1=O 5950523 PFBZJJBXQCDSHA-ONTIZHBOSA-N 423.557 3.856 0 1 HHAF COC(=O)c1cccc(C(=O)OC)c1C(=O)c1nccc2c1[nH]c1cc(OC)ccc12 13312022 BMNOMGSNRIHZCX-UHFFFAOYSA-N 418.405 3.529 0 1 HHAF biogenic COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13445117 LEHDDIBQTOOLQJ-UHFFFAOYSA-N 424.332 3.745 0 1 HHAF CC(=O)NCc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1 14957511 RCDXTVBBCBGGOH-QFIPXVFZSA-N 414.509 3.815 0 1 HHAF CCCCc1nc(CO)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 29482402 WZQJWOMAIYILCO-UHFFFAOYSA-N 408.454 3.830 0 1 HHAF CCCc1cc(Cc2cnc(N)nc2N)ccc1OCCCCCC(=O)OCC 45189232 ATPZNCOLPWBHPM-UHFFFAOYSA-N 400.523 3.687 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N2CCCCC2)C(C)C)cs1 82070234 YVYLLAPGOIUGEN-IBGZPJMESA-N 415.559 3.976 0 1 HHAF CC(C)c1nc2c(NCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O 82184663 ASBLFXUDULTCER-UHFFFAOYSA-N 410.497 3.713 0 1 HHAF CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CCN1Cc2cccc3cccc(c23)C1 84726401 YRBOOBAEEAGOGB-HSZRJFAPSA-N 413.521 3.592 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccc2O)C1 95565203 LNQFIEXRIWXDDP-UHFFFAOYSA-N 422.794 3.979 0 1 HHAF O=C(Cc1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95878794 GZOHHZSSNRGAHO-ZWSUVBHBSA-N 417.484 3.806 0 1 HHAF Cn1nc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cc1-c1ccccn1 96167431 GPEMRILKEUTKNG-UHFFFAOYSA-N 412.457 3.540 0 1 HHAF COc1cc(Nc2nc(C)nc(Nc3ccccc3NC(C)=O)n2)cc(OC)c1OC 96273898 IHQVJMLPBAVNCA-UHFFFAOYSA-N 424.461 3.651 0 1 HHAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(N)c5)cc34)cn2)CC1 96274076 FQVJFULIWJSXIM-UHFFFAOYSA-N 416.485 3.706 0 1 HHAF Cc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 96282778 JIQIJPIOPQFAND-UHFFFAOYSA-N 405.479 3.634 0 1 HHAF CCOC(=O)Oc1cc(OC)ccc1C(=O)c1ccc(=O)n(-c2ccccc2C)c1 96915044 RXVOLCLDDVXYLP-UHFFFAOYSA-N 407.422 3.921 0 1 HHAF CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c(C)c(C)c(Cl)c2c1OC(C)=O 103178115 WRHMYEUDUYTPRG-UHFFFAOYSA-N 422.817 3.811 0 1 HHAF Cn1ccc(NC(=O)Nc2cccc3c2[C@H]2CC4(CCN2C3=O)SCCS4)n1 118090569 RWFQRMJMRKWFGI-CQSZACIVSA-N 415.544 3.531 0 1 HHAF CC(=O)N[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1 165723431 CZGYWJKCWSHMMR-OLZOCXBDSA-N 402.861 3.672 0 1 HHAF COc1ccc2cccc(CCNC(=O)C3CN(C(=O)OCc4ccccc4)C3)c2c1 169351169 KMEGMJFQCXYMBV-UHFFFAOYSA-N 418.493 3.776 0 1 HHAF CCCCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195301088 BARMHYIDIPSZOD-SYEHWYHSSA-N 423.553 3.786 0 1 HHAF COc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 209704566 CRRUEYNUXMNJJM-SFHVURJKSA-N 404.466 3.700 0 1 HHAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cccc(Cl)c4[nH]3)cccc12 586941071 DDUKDYUUJJWACH-UHFFFAOYSA-N 414.918 3.914 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1)N1CCC1 586956119 VLMLUROSEUZFDO-UHFFFAOYSA-N 417.705 3.980 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccnc(OC)c3[nH]2)c1 587050227 WPIJYCREEMKSOY-UHFFFAOYSA-N 415.881 3.930 0 1 HHAF Cc1c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076676 YIRDMUDEEULZHJ-UHFFFAOYSA-N 415.906 3.628 0 1 HHAF CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O 587108198 WYSUMWMSBHTYAZ-GTQRCTGISA-N 412.489 3.702 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC5(CC4)OCCO5)cc1)[C@@H](C2)C3=O 587445928 ZGZGWCXVNGKJIB-CVDCTZTESA-N 407.466 3.527 0 1 HHAF COC(=O)c1c(-c2cccc(I)c2)[nH]c2c(C(=O)O)cccc12 587638888 XEKVXUFZCNSXDL-UHFFFAOYSA-N 421.190 3.924 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)c(OC)c(OC)c1 587871084 ZDLBPVRBSLMFOF-UHFFFAOYSA-N 400.406 3.802 0 1 HHAF COCCOc1ccc([C@@]2(CCCC(=O)O)NCCc3ccc(F)c(C)c32)cc1 962088242 DMANRIQSFLWINJ-HSZRJFAPSA-N 401.478 3.804 0 1 HHAF O=CNc1ccccc1[C@]1(CCC(=O)O)c2ccsc2CCN1Cc1cccnc1 962991719 FAWAKPJWTCAMMP-HSZRJFAPSA-N 421.522 3.878 0 1 HHAF COc1ccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@@]23NCCc2ccc(O)cc23)cc1 963329802 UQHSTPDWXOIXCL-LOSJGSFVSA-N 417.461 3.767 0 1 HHAF COc1cccc(-c2cc3c(c(O[C@H]4CCOC4)c2)OCCN(C(=O)C2CC2)C3)c1 1772577239 DLLHIIWAOQGYME-NRFANRHFSA-N 409.482 3.661 0 1 HHAF O=C(N[C@H]1CCC[C@H]1Cc1ccc(C(F)(F)F)cn1)c1ccccc1-n1nccn1 1772593813 IKUCTWUQIFHMNW-KSSFIOAISA-N 415.419 3.822 0 1 HHAF COc1cccc2nc(C[C@H]3CN(C(=O)Nc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c12 2356305951 VPFCQVYYVIRSFC-CVEARBPZSA-N 422.485 3.759 0 1 HHAF CC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(O)c(C(=O)CO)c(O)c(CC=C(C)C)c2O1 2356410594 PEFJLTHYBPRVEW-FDDCHVKYSA-N 404.503 3.582 0 1 HHAF COc1cc(O)c([C@H](O)[C@H](C)[C@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC 2356562279 SRXKZHVLEVEYFU-SQHYZVFZSA-N 406.475 3.681 0 1 HHAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(C(=O)c3cccs3)C2)on1 61927777 VOUMDAGLEILAEY-OAHLLOKOSA-N 413.474 3.825 0 3 HHAF CS(=O)(=O)c1ccc(-c2cnn(CCC3CC3)c(=O)c2-c2ccc(F)cc2)cc1 3814535 JFYYWMSXKJHUFG-UHFFFAOYSA-N 412.486 3.920 0 1 HHAF CCc1nc(CN2C[C@@H](C(=O)NCc3ccccc3Cl)[C@H](c3cccnc3)C2)c[nH]1 103255107 XZMDNRBQKUIHKB-VQTJNVASSA-N 423.948 3.553 0 1 HHAF CC(C)(C)C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccnc3ccccc23)cc1)C(=O)O 29407857 LJWZUUNRLPQITN-FQEVSTJZSA-N 419.481 3.645 0 1 HHAF O=C(Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12)c1cccc(Cl)c1 28862581 SJNDOVVQKCHPDS-UHFFFAOYSA-N 415.840 3.915 0 1 HHAF CCOC(=O)COc1ccc(C(=O)c2ccc(CN)c(OC)c2)c(Cl)c1Cl 29337518 OQNWLLDMEJGYQO-UHFFFAOYSA-N 412.269 3.634 0 1 HHAF O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@@]1(CCCOC1)NCC3 73221479 OVDCCBDDPCBOAW-NRFANRHFSA-N 401.459 3.556 0 1 HHAF C[S@@](=O)c1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCOCC3)c2)[nH]1 71317977 BRDFGPFUFMFCTP-NDEPHWFRSA-N 400.479 3.606 0 1 HHAF C[C@@H](Nc1ncnc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 45317219 JJCLUJCWQSDTCS-VFNWGFHPSA-N 413.481 3.819 0 1 HHAF CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 40918825 OHVAIXHVENNVJI-UMFSSWHCSA-N 419.569 3.544 0 1 HHAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 82204111 BONPHKRTPRIBMU-XUVXKRRUSA-N 410.566 3.512 0 1 HHAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 82209210 SDVOEGGPYDNJMK-OAQYLSRUSA-N 418.541 3.921 0 1 HHAF Cc1cnc([C@H]2CC[C@@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)nc1 145048228 IWWBCBVSDLQRLB-KBPBESRZSA-N 400.433 3.630 0 1 HHAF Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3ccc(O)cc3)c(=O)oc12 95582436 PJHWMGLUYDYJGT-UHFFFAOYSA-N 408.454 3.532 0 1 HHAF O=C(Cc1c[nH]c2ccccc12)NCCCCNC(=O)c1cc(-c2cccs2)on1 473090581 WLHOZYYREPILQV-UHFFFAOYSA-N 422.510 3.753 0 1 HHAF O=C1C[C@@H](c2c(N3CCOCC3)nc3ccccn23)Oc2c1ccc1c2CCCC1 587515237 MHYXPIJORMNFJT-FQEVSTJZSA-N 403.482 3.756 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O 587416864 GLVJSJVKWGHANS-YWZLYKJASA-N 411.255 3.872 0 1 HHAF Cn1cc(I)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587509061 XGELFPCIKXXNQR-SFHVURJKSA-N 422.266 3.784 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 587734449 RPGVLAAILASWQF-XTZNXHDOSA-N 405.246 3.932 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587197973 CFQZNLGSOMXAAW-FQEVSTJZSA-N 400.442 3.812 0 1 HHAF COc1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c2)cc1O 587785512 AXSVRONWVZJYFO-UHFFFAOYSA-N 423.494 3.861 0 1 HHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O 587623606 XYNPCMWXLUHZPN-CQSZACIVSA-N 423.267 3.766 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccco2)c2cccc(F)c2CCN1[C@H]1CCSC1 962722144 ZAQPUFURNREQTG-OYHNWAKOSA-N 417.502 3.814 0 1 HHAF COc1cc2c(cc1OC)[C@@]1(CCn3cccc3C1)N(C(=O)c1ccccc1N)CC2 963147783 SEJBRKYVXPFKPF-VWLOTQADSA-N 417.509 3.628 0 1 HHAF CC(=O)N1CCC2(CCC(Nc3nc(Nc4cnn(C)c4)ncc3Cl)CC2)CC1 1772600752 ZXAFLEVWBXJCQF-UHFFFAOYSA-N 417.945 3.590 0 1 HHAF CC(C)CCOc1cccc2occ(CN(CCO)C(=O)Cc3ccccc3)c(=O)c12 1772656464 CAZYERFHJGETDS-UHFFFAOYSA-N 423.509 3.782 0 1 HHAF O=C(O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 13634663 UGKVTLTXZYWVMW-QFBILLFUSA-N 419.271 3.957 0 3 HHAF S=C(NCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)Nc1ccccc1 13813675 YUZZRQPWYLSRIR-HXUWFJFHSA-N 411.571 3.915 0 1 HHAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 169355259 YUIOLTJERQAJEI-VNPLFLLWSA-N 414.461 3.505 0 1 HHAF COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCc3cccs3)C2)cc1OC 11814639 NXIJLHCDXCOBEZ-IBGZPJMESA-N 416.587 3.863 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820786 FBUKMTQUBMAGGF-BMCFZKMKSA-N 406.563 3.657 0 1 HHAF C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccccc2C1)C(F)(F)F 66260123 DREROUCGWXWKPP-LBPRGKRZSA-N 413.417 3.576 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@@H]1CO 95878030 KMMNHBIWKUSVRI-VEXUSMLFSA-N 417.484 3.902 0 1 HHAF COc1ccccc1COCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96937939 GOEKLXMYLAWJFH-LJQANCHMSA-N 420.509 3.876 0 1 HHAF O=C(O)C[C@@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cccc(Cl)c1Cl 101564387 WQIXMZZBJNNCBR-CQSZACIVSA-N 420.252 3.831 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N3C(=O)CC[C@H]3C)c2)nc1 113544977 MDFWHNITPSMTGM-IAGOWNOFSA-N 415.497 3.853 0 1 HHAF COc1cc([C@H]2OC[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)ccc1O 169652570 WNEWYJBAIPHOET-YJPXFSGGSA-N 402.443 3.502 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1CC[C@H]2CN(c3nc(C)cc(C)n3)[C@@H]2C1 169701377 FMDLLJUHVSZUIY-PZJWPPBQSA-N 416.525 3.996 0 1 HHAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCNc3cc(F)ccn3)c2)c1 201552196 VVSPYYYBGQUXLI-UHFFFAOYSA-N 406.421 3.745 0 1 HHAF N[C@@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Cl)C1 205255532 ORMLAAJINVYSDT-CQSZACIVSA-N 405.893 3.663 0 1 HHAF NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@H](CCC(F)(F)F)C21CCC1 220716997 DSTJFWHEXWTHCF-YLJYHZDGSA-N 418.419 3.958 0 1 HHAF CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 261145099 NSXLSPLHCXZYTR-NUTKFTJISA-N 419.374 3.564 0 1 HHAF COC(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586961843 YIRDOIRSDSMCRL-LJAQVGFWSA-N 405.479 3.783 0 1 HHAF COC(=O)c1ccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c2n1 587143555 IMTBHTFDRJRGHT-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF CCOC(=O)C(=O)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350617 RWBWCVUNZCDZOO-KNQAVFIVSA-N 400.402 3.561 0 1 HHAF C[C@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353240 MPBZYEMJRGHNOV-ODGPQVTHSA-N 422.408 3.924 0 1 HHAF COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426904 AOIQBLFFHHSTTK-GGRMYQCBSA-N 405.491 3.521 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCCC2)nc1 587596989 STTGMLLPBJEGIF-UGKGYDQZSA-N 403.438 3.875 0 1 HHAF COc1cccc(OC)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660730 SESRRWHLLNOQNL-UHFFFAOYSA-N 404.397 3.908 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 587797854 XUTNDAQZELGLOQ-WFRWYCSKSA-N 419.294 3.568 0 1 HHAF Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cnnc(O)c12 1772627825 LPQIHHHQRDWFRN-UHFFFAOYSA-N 410.455 3.803 0 1 HHAF N=C(N)c1ccc2[nH]c(-c3ccc(OCc4cn(Cc5ccccc5)nn4)cc3)nc2c1 1857538160 DEDCSRCVVAAHAC-UHFFFAOYSA-N 423.480 3.733 0 1 HHAF CCOC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(Br)cc1 1857615952 NXGNYUAKJXPXAF-RNVIBTMRSA-N 409.349 3.782 0 1 HHAF COc1ccc(N=c2[nH]c(N(C)C)c(C(=O)c3cnc4ccc(C)cn34)s2)cc1 1857763624 IQIHTTAYHNYOLJ-UHFFFAOYSA-N 407.499 3.570 0 1 HHAF COc1cc(CCCN2C(S)=NC[C@H]2Cc2ccc(O)cc2)cc(OC)c1OC 15952973 JXCFMGSZPHSYGS-QGZVFWFLSA-N 416.543 3.563 0 3 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 4077549 GTFBYEYHKPPQFX-IRLDBZIGSA-N 420.538 3.805 0 1 HHAF CCc1oc(=O)c(Cc2c(O)cc(O)c3c2O[C@@H](c2ccccc2)CC3=O)c(O)c1C 5493199 CUZZLIJKCADKLX-HXUWFJFHSA-N 422.433 3.925 0 1 HHAF biogenic O=C(c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)N1CCOCC1 13124753 JGPCXBWYLCIULB-IBGZPJMESA-N 421.888 3.518 0 1 HHAF CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCO)sc21 13672762 QBHWHLGYQSLBJT-UHFFFAOYSA-N 404.919 3.591 0 1 HHAF Cc1ccccc1O[C@H](c1ccc(I)s1)[C@@H]1CNCCO1 28881313 JUSXNKNTQUSUJZ-BBRMVZONSA-N 415.296 3.770 0 1 HHAF CCOCC[C@@]1(Oc2ccc(Oc3ccccc3Cl)cc2)C(=O)NC(=O)N=C1O 28975564 DJWRDXQAJNPSNU-UHFFFAOYSA-N 418.833 3.883 0 1 HHAF O=C(CCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21)NCC(F)(F)F 29221782 NGJHEJYDXHHCHV-MRXNPFEDSA-N 407.436 3.823 0 1 HHAF O=[N+]([O-])c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCNCC2)cc1 37384566 VFRSRPDPDQUSDK-UHFFFAOYSA-N 413.481 3.982 0 1 HHAF CCCC1=C(C(=O)OCc2ccc(C(=O)O)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 40504695 DNZKFNLBALFHBF-HXUWFJFHSA-N 408.454 3.845 0 1 HHAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3CSC[C@@H]32)OCO4)cc(OC)c1OC 52650334 NOGZMRFDAQLGHZ-YJPXFSGGSA-N 416.495 3.599 0 1 HHAF O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 73224856 SGBSKNKMLNQHSJ-KOSHJBKYSA-N 420.944 3.787 0 1 HHAF CCCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2OCC)n1 82073231 MUDYPXPFHJOGQV-KRWDZBQOSA-N 401.532 3.730 0 1 HHAF CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1Cc2cccc3cccc(c23)C1 84726397 YRBOOBAEEAGOGB-QHCPKHFHSA-N 413.521 3.592 0 1 HHAF CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 95580367 DMJAZWLPFLIXLF-FQEVSTJZSA-N 414.933 3.605 0 1 HHAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F)c1ccoc1 96177296 UVKGHWQWPDGTAX-UHFFFAOYSA-N 414.400 3.921 0 1 HHAF O=C(c1ccc(F)cc1)c1ccc(F)cc1/C=C\OCCN1CCC[C@@H](C(=O)O)C1 96923628 VOVWUPWYAVRKSJ-ZVBPTUHVSA-N 415.436 3.980 0 1 HHAF CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1coc2ccc(C)cc2c1=O 102827442 QYGAYQFDCLAEPE-HXUWFJFHSA-N 420.490 3.595 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F 113669378 RQIRAWYTRPXHHW-UHFFFAOYSA-N 410.225 3.540 0 1 HHAF O=S(=O)(c1ccc2c(c1)COCC2)c1cc(Cl)c2oc3c(c2c1)CNCC3 147492461 KEQUQBGRNLEZEH-UHFFFAOYSA-N 403.887 3.637 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1CC[C@@H]2CN(c3nc(C)cc(C)n3)[C@@H]2C1 169701376 FMDLLJUHVSZUIY-TZIWHRDSSA-N 416.525 3.996 0 1 HHAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586985141 ZQYDVQACTUORPO-CQSZACIVSA-N 400.255 3.893 0 1 HHAF Oc1nc2cc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2[nH]1 586999857 COLJDHZLIDYRJN-UPHRSURJSA-N 413.231 3.849 0 1 HHAF c1cc2c(cc1-c1nc(Cc3nc4cc5c(cc4[nH]3)OCCO5)cs1)OCCO2 587018559 HLJATQGCORRCBS-UHFFFAOYSA-N 407.451 3.820 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnc3ccccc3c2[nH]1 587129179 UXPFERXPBGGLBF-UHFFFAOYSA-N 412.375 3.535 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587260341 VMYLCSZEVIOOEC-NSHDSACASA-N 410.371 3.826 0 1 HHAF CCOC(=O)[C@]1(c2c(F)cccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587381796 LHCYBQNHTKPSHP-LJQANCHMSA-N 422.250 3.903 0 1 HHAF CC(=O)CC(=O)N(C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C 587386861 MGDUSKMZKFIUCH-XMMPIXPASA-N 422.481 3.539 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)cc1C(=O)O)O2 587387741 WHHVBEJFESKSDT-HNNXBMFYSA-N 423.206 3.587 0 1 HHAF COc1ccc(C(=O)CC[C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404644 YJTHLTRJVIYLFA-QHCPKHFHSA-N 411.454 3.818 0 1 HHAF CCN1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(Cl)c2)CC1 587422400 YVUPGUNOETWGAK-WZONZLPQSA-N 412.917 3.979 0 1 HHAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568822 FALBDDUBRILPMY-FVFQAYNVSA-N 405.450 3.866 0 1 HHAF Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1Br 587650924 HRURVHBLAGDVLI-UHFFFAOYSA-N 407.651 3.840 0 1 HHAF CCO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC 587707838 XLYFWYAQVHJHED-NHRCBHLVSA-N 411.237 3.977 0 1 HHAF CCn1ncc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587762461 FBJWVXBBUIGUPC-BVIIXDKSSA-N 421.358 3.966 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)N2NN=NC2=N1 587790569 CUJLJQHPZNKLOW-BVMSISANSA-N 407.291 3.557 0 1 HHAF COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)c1OC 962640704 XBEAZOLBQYJWOF-DYVFJYSZSA-N 411.376 3.599 0 1 HHAF CCCc1ccc([C@@]2(c3ccccn3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963524257 KQDBMSDNUPEIBG-CPJSRVTESA-N 402.494 3.939 0 1 HHAF COc1ccc(-c2o[nH]c3nc(=Nc4ccc([S@](=N)(=O)O)cc4)sc2-3)cc1 1772575305 RTPAYBWVDYVFAG-UHFFFAOYSA-N 402.457 3.956 0 1 HHAF CC(C)CCCCCCCC[C@]1(O)C=C[C@H]2N(CCCCNC(=N)N)CCCN21 2356834687 KDUUTAXPCABVAX-GMAHTHKFSA-N 407.647 3.619 0 1 HHAF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCN3C=C4N=CC=C4C3)c2)CC1 2356876094 ZVGKTDSIMVSATQ-YJLYGGOZSA-N 422.525 3.751 0 1 HHAF CC[C@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccco1 4965217 XMTPQFVIDNVFEX-UGSOOPFHSA-N 416.478 3.569 0 3 HHAF COc1cccc(CNc2nc3cc(-c4ccccc4CO)sc3c(=O)n2C)c1 61929362 CNWQHJDHBZGUFA-UHFFFAOYSA-N 407.495 3.775 0 3 HHAF CC(C)n1nnnc1[C@@]1(C)CCSCC(=O)N1Cc1cccc(C(F)(F)F)c1 203465830 SJIIVAKUXSMKCC-QGZVFWFLSA-N 413.469 3.654 0 3 HHAF COCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC(C)(C)O2 2488841 RSXQVWYQOBMIHZ-OAQYLSRUSA-N 412.530 3.854 0 1 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 4045371 UTJZWHQMCJFVKZ-GMAHTHKFSA-N 419.481 3.633 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCOC)c1 4055631 GXKLACVFJUANKI-FPOVZHCZSA-N 416.905 3.983 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 2356318183 XJQRMHAHQDZZBM-DYXWJJEUSA-N 413.568 3.701 0 1 HHAF OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2cccc(F)c2)cc1 103233299 CASFYCGISPBAEB-UHFFFAOYSA-N 404.489 3.913 0 1 HHAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)NOCC(=O)O 103198163 IYBYRRSNKYFVDC-SNVBAGLBSA-N 400.214 3.685 0 1 HHAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@H]5C[C@@H](C4)c4cccc(=O)n4C5)[C@H]3C=C12 103944451 XOMDYSJETNCOIU-IAZBOGSQSA-N 422.569 3.582 0 1 HHAF O=C(O)c1c(O)c(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12 28824453 YDNTZDGBGAOXSF-UHFFFAOYSA-N 409.417 3.553 0 1 HHAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NC1CCC(O)CC1 29047044 DTGOFZKVMGRNFQ-UHFFFAOYSA-N 417.509 3.964 0 1 HHAF COc1ccc(C2=NN(CC(=O)c3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26569208 HMKJSFGZWJJYNY-MOPGFXCFSA-N 406.482 3.939 0 1 HHAF COc1ccc(CNC(=O)[C@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1OC 61925869 JRMLZKDOKSXCPZ-DEOSSOPVSA-N 404.466 3.776 0 3 HHAF COC(=O)c1cc(OC)cc(OC)c1Oc1c(Cl)c(C)cc(O)c1C(=O)OC 2356799711 UTPNSTPDOKWLNK-UHFFFAOYSA-N 410.806 3.737 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1C[C@H](O)[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356823648 GNGSNCPQCZJNBI-DDLQTMFJSA-N 422.606 3.537 0 1 HHAF COc1ccc(Cc2cccc([C@]3(c4ccccc4)N=C(N)N4CCCN=C43)c2)cc1 35943338 ORUROHUFAQTTIX-SANMLTNESA-N 410.521 3.962 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1cccc(Cl)c1 72140966 JNRBKFSTGPQVLU-SFHVURJKSA-N 409.866 3.714 0 3 HHAF COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 72112308 ODTODLDORHJDOK-UHFFFAOYSA-N 421.541 3.908 0 1 HHAF COc1cccc(CNc2nc(NC[C@@H]3CCCO3)nc3cc(OC)c(OC)cc23)c1 82127171 LIYDGIDDKQTLBL-KRWDZBQOSA-N 424.501 3.859 0 1 HHAF CC1=C[C@]2(CC1)[C@H](C)CC[C@@H](C(C)C)[C@H]2NC(=O)C(C)(C)N1C(=O)CC[C@@H]1C(=O)O 135696912 CIYFWEZTKZBJJG-DGPQGTHCSA-N 418.578 3.754 0 1 HHAF COC(=O)/C=C(/C)CC/C=C\[C@H](C)CC[C@@H]1CCC[C@](O)([C@@H]2CSC(=O)N2)O1 140636114 ZDGSZBCCKDDREV-KQCDCYNUSA-N 411.564 3.941 0 1 HHAF CC(C)OC(=O)COc1ccc(-c2cnc(N(C)CCc3ccncc3)nc2)cc1 84672591 KXEUXAIKBRONGU-UHFFFAOYSA-N 406.486 3.548 0 1 HHAF COc1ccc(-c2cc3ncccc3c(O[C@H](C(C)C)[C@H]3CNC(=O)C3)n2)cc1OC 141940976 IYYYIYFSDAMZSZ-WAIKUNEKSA-N 421.497 3.854 0 1 HHAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccnc5)cc34)cn2)CC1 96274077 KSTJUKWFMNVLEG-UHFFFAOYSA-N 402.458 3.519 0 1 HHAF CC(C)NC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96939125 SJWVELZZBPYZRG-QGZVFWFLSA-N 407.513 3.865 0 1 HHAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnsc5)cc34)cn2)CC1 96274073 QPZICBYPSUODET-UHFFFAOYSA-N 408.487 3.580 0 1 HHAF C[C@H](Cn1cc(Cl)cn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923707 GVVYJOZNOCOKGZ-GFCCVEGCSA-N 410.952 3.860 0 1 HHAF Cc1ccn2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1 587658754 TXQQMMJWZYFJPF-UHFFFAOYSA-N 416.387 3.986 0 1 HHAF COC(=O)c1cc(-n2c(OC)cc(C(C)=O)c2OC)c(Cl)cc1Br 587935736 FJIZTVIFIWTWLF-UHFFFAOYSA-N 416.655 3.900 0 1 HHAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2nncn12 587338294 NSLAYVGMJKNYEK-SIKLNZKXSA-N 404.401 3.552 0 1 HHAF O=c1c(-c2nc3c(S)nc(S)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172597 JSMHZYPWTAJRAL-UHFFFAOYSA-N 403.439 3.525 0 1 HHAF COC(=O)c1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591724 HIXKAAKEWKVTFO-RDPSFJRHSA-N 402.402 3.982 0 1 HHAF COc1ccc([C@@]2(COC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598929 CKJNSOFRXWQUSZ-ZJSXRUAMSA-N 420.417 3.821 0 1 HHAF O=C1C[C@@H](c2nc3cc(Br)ncc3[nH]2)CN1Cc1ccc(F)cc1F 587148648 JIOYHGSKMWZPGS-SNVBAGLBSA-N 407.218 3.515 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4ccc(Br)nc4[nH]3)c2Cl)c1 587160493 CTSGNLFNKZCOCW-UHFFFAOYSA-N 407.634 3.820 0 1 HHAF O=C(O)Cc1c(-c2ccn(S(=O)(=O)c3ccccc3)c2)nc2cccc3c2c1CC3 587216880 PEHLZIQQHBSZRS-UHFFFAOYSA-N 418.474 3.666 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(-c3nc4ccccc4n3C)o1)NCC2 962935116 YFNWACYJZAMEDQ-JOCHJYFZSA-N 400.482 3.770 0 1 HHAF CCOC(=O)C[C@]1(c2ccccc2OCC)NCCc2cc3cccc(OC)c3nc21 963057166 MGPJLSGIBZPQAL-RUZDIDTESA-N 420.509 3.985 0 1 HHAF COc1cc2c(cc1OC)[C@H](C[C@H]1CCCOC1)N(C(=O)c1ccccc1N)CC2 963134772 CUAIYLVYRFWUCB-IERDGZPVSA-N 410.514 3.842 0 1 HHAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O2)cc1 13704149 PLVHSDRBIYXRLL-XFQLZKOXSA-N 404.503 3.775 0 1 HHAF O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 103254455 YPQQARNVJDILSU-KTXOBNNYSA-N 401.413 3.976 0 1 HHAF COc1cc(F)ccc1CN1CC(=O)N(c2ccc(N(C)C)c(Cl)c2)C1=S 1857754062 FXUKVXBZBFVGFN-UHFFFAOYSA-N 407.898 3.687 0 1 HHAF CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C 6357760 ALCGUZLBKILMTQ-BVYCBKJFSA-N 411.546 3.747 0 1 HHAF COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)o2)CC1 12356342 FARTWIHPHUYFOY-UHFFFAOYSA-N 411.546 3.903 0 1 HHAF CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 28712941 UJRUQLNCVSHWFC-TZBSWOFLSA-N 406.526 3.629 0 1 HHAF COC(=O)c1ccc(OC[C@@H]2C=C(c3ccc(Br)cc3)C(=O)O2)cc1 45356577 UUMJPJDIJAWZOF-INIZCTEOSA-N 403.228 3.624 0 1 HHAF CN(Cc1ncc2ccccc2c1CCCNC(=N)N)[C@H]1CCCc2cccnc21 49089472 RCFPLBVPRJGDJO-QFIPXVFZSA-N 402.546 3.555 0 1 HHAF CCOC(=O)CC1=C(NC(C)=O)Oc2ccc(-c3ccccc3)cc2[C@@H]1C(=O)OCC 72113288 CZVLICRLPHNUBA-QFIPXVFZSA-N 423.465 3.694 0 1 HHAF COc1cc2nc(N3CCc4ccccc4C3)nc(NC[C@@H]3CCCO3)c2cc1OC 82119687 LFEOTSUNBLVJHZ-SFHVURJKSA-N 420.513 3.801 0 1 HHAF Cc1cc(-c2ccc(CC(=O)O)cc2)c(OCCO)c(-c2ccc(CC(=O)O)cc2)c1 95585246 ZNDJJURFLHCQPR-UHFFFAOYSA-N 420.461 3.954 0 1 HHAF N=C(/C=C\c1ncc[nH]1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1 96173207 UFZDMGJUZDFWAQ-MFURQSLSSA-N 416.529 3.786 0 1 HHAF O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)Cc1ccccc1)c1ccccc1 238771511 SLMMZNONABTNIB-DNQXCXABSA-N 401.506 3.838 0 1 HHAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(O)cc3[nH]2)CC1 586954212 CYOFHJBTJJINQG-UHFFFAOYSA-N 407.495 3.990 0 1 HHAF COc1c(F)ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1N 587133387 PSVYLFWZVPWGKH-UHFFFAOYSA-N 418.597 3.613 0 1 HHAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F 587144516 NQYZSGINRVPBCD-UHFFFAOYSA-N 414.400 3.584 0 1 HHAF NS(=O)(=O)c1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587150688 NMPMRLAPHFPNJM-IBGZPJMESA-N 415.421 3.657 0 1 HHAF COc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cn1 587157150 HMGQMMSDAOVRBQ-UHFFFAOYSA-N 418.226 3.703 0 1 HHAF COc1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346038 ARCPPMNGNDMYIP-REWPJTCUSA-N 408.381 3.879 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O 587417914 NKFQCTBZCAZKSX-BBATYDOGSA-N 420.646 3.706 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F 587428460 ZMIMQDXXZRKTFH-ODXCJYRJSA-N 423.437 3.614 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3ccon3)c(=O)c3ccccc23)cc1OCC 587670358 VNCKWPGAUOULJS-UHFFFAOYSA-N 405.410 3.537 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2S(C)(=O)=O)N1 587735173 WVHOAOPLPQAFFL-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccccc3c2=O)N1 587747112 PDCLCGCLDJXQTB-XLFHBGCDSA-N 403.251 3.900 0 1 HHAF COCCn1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587759836 WBUFKKZCDFJXNC-WLRWDXFRSA-N 410.331 3.846 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808596 OPTSQEUTSUZNBH-ODXCJYRJSA-N 420.278 3.764 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826189 DDLUBDUWQNIVQQ-WLRWDXFRSA-N 424.266 3.747 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 587842423 DRKVQQPTBZLWRX-BUXKBTBVSA-N 424.335 3.934 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2c[nH]nc2N)N1 587851188 HMPZJYNMHQGJGY-VVVCHXIZSA-N 407.312 3.781 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 587931837 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N[C@H]1CC[C@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]2C1 49116456 XBHGTEQGRIWAQJ-RGIROJJOSA-N 413.873 3.807 0 1 HHAF CC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CNC6)ccc43)no2)CC1 140251707 AFQALKXAMQITDQ-UHFFFAOYSA-N 416.441 3.947 0 1 HHAF Cc1cc(C)c(-c2[nH]nc(CO)c2Cl)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 141952355 VKFTXVBLVJFDLH-UHFFFAOYSA-N 420.900 3.951 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ncccn3)cnc2C1 95565303 VOPKZCCWYOPVIH-UHFFFAOYSA-N 407.783 3.668 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(C4CC4)c3Cl)C2)cc1 261091018 DMJGNMNQDXWGIF-SCLBCKFNSA-N 400.910 3.862 0 1 HHAF COc1ccc2cc3n(cc-2c1=NCCCCCCN)CCc1cc2c(cc1-3)OCO2 377811762 QCMIBZYOEYMAJH-UHFFFAOYSA-N 419.525 3.973 0 1 HHAF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(C(C)(C)C)cc1 473149142 HWOJFYKGWHURBF-UHFFFAOYSA-N 401.898 3.772 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(Br)cnn1[C@H]1CCCCO1)[C@@H](C2)C3=O 587412575 IYPNMEFSGPXJNS-HGQUKEQDSA-N 419.275 3.842 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)O2 587406298 AVWSXLQRBZRQTH-XWIAVFTESA-N 405.491 3.553 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(/C(=C\c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O 587438808 QZJRYHGWYSSRHJ-SCQDSGOOSA-N 403.478 3.957 0 1 HHAF CCCc1nc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)nn1-c1ccccc1F 587156606 XJYMODOFHLBOCF-UHFFFAOYSA-N 419.508 3.654 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC(=O)O)c(OC)c1)CC2=O 587486213 YRTNXZQAXAPSMF-QGZVFWFLSA-N 416.426 3.532 0 1 HHAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-n1cnnc1 587757039 UEINKVLCWWMVPD-YPMLDQLKSA-N 404.287 3.533 0 1 HHAF Nc1ncccc1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587253432 IEBJYYZTYSFTGQ-UHFFFAOYSA-N 413.890 3.585 0 1 HHAF Nc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cn1 587179542 XQDDYIPHFBYSHC-UHFFFAOYSA-N 404.133 3.831 0 1 HHAF OC[C@]1(c2ccc(F)cc2F)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640645 RBGMNOJTWAQDMC-PXDATVDWSA-N 406.476 3.948 0 1 HHAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1n[nH]cc1Br 962963591 ZODAXPISYSDQRZ-CQSZACIVSA-N 416.241 3.932 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F 790554 MWBKWOSJUUMXGU-GHUBRVRDSA-N 416.537 3.975 0 1 HHAF CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc3c(C)cc(C)cc3s2)CC1 5107208 XKZKPECPKWQKSS-GOSISDBHSA-N 400.592 3.730 0 1 HHAF COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694964 FOVHZEYFEFEMLU-DLBZAZTESA-N 412.511 3.701 0 1 HHAF O=C1C[C@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 169727298 YTWPJUDJRFHXEK-JTHBVZDNSA-N 413.477 3.685 0 1 HHAF NC(=O)c1cccc(CSc2nc(O)nc(SCc3cccc(Cl)c3)n2)c1 1857535925 AYWYDNNYJDVJDB-UHFFFAOYSA-N 418.931 3.914 0 1 HHAF CCOC(=O)c1cc2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc2o1 299829331 LREQHIDDRHSWGN-UHFFFAOYSA-N 410.445 3.640 0 1 HHAF O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4cccs4)ccc31)CCCC2 28130783 XTCAHMNARSRNTR-UHFFFAOYSA-N 404.513 3.857 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c(=O)n1O 29128870 CQAUVGAVNXQLQF-UHFFFAOYSA-N 420.874 3.665 0 1 HHAF COc1ccc2c(ccn2S(=O)(=O)c2ccc(C)c(NC3CCN(C)CC3)c2)c1 35262019 VJTWHJRLUCZZGW-UHFFFAOYSA-N 413.543 3.701 0 1 HHAF Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(CNN3CCCCC3)ccc1C2=O 49066427 GGAZVUQOKKTTGU-UHFFFAOYSA-N 403.461 3.567 0 1 HHAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2C[C@@H]2CCCN2)c1 64573804 QKLSEEQZERDNCY-FQEVSTJZSA-N 400.482 3.518 0 1 HHAF CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)C1=O 66104173 WBGVPZLWIBDIPP-PXNSSMCTSA-N 414.292 3.789 0 1 HHAF CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NC[C@H]1CCCO1 82193272 QUQZWDIKWGFIHO-CVEARBPZSA-N 409.552 3.778 0 1 HHAF CSCC[C@H](Nc1nc(-c2ccc(O)cc2)cs1)C(=O)NCC(F)(F)F 82195492 SYGNTJKLQWEBFK-LBPRGKRZSA-N 405.467 3.728 0 1 HHAF O=C(c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2)N1CC(F)(F)C1 84604309 QBAHXZGQJNUJOJ-AVGTWUHESA-N 422.497 3.677 0 1 HHAF CNC(=N)NCC[C@]1(O)CC[C@H]2[C@@H]1C[C@@H](C1=CCC[C@H]3CCCC[C@@H]13)CC[C@@]2(C)O 85549771 IANOPMUQDBFUEJ-DWZSISIWSA-N 417.638 3.955 0 1 HHAF biogenic,in-vitro CCCCCCOc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl 96307640 BISSFXQSGRUBON-UHFFFAOYSA-N 401.334 3.957 0 1 HHAF Cc1cc(C)cc(Cn2c(=O)cc(N3CCCCC3)n(Cc3ccccc3)c2=O)c1 96915005 BPHDXXPGNHWKNC-UHFFFAOYSA-N 403.526 3.714 0 1 HHAF O=C1COc2ccc([C@@]3(O)c4ccccc4C(=O)N3c3ccc(Cl)cc3)cc2N1 116255062 XVIOTDHIXUDJOH-JOCHJYFZSA-N 406.825 3.525 0 1 HHAF C#CCOC(=O)NCc1ccc(-c2ccnc(C)c2)c2cc(NC(=O)NCC)ncc12 147379394 XSEHYVUOJSOPPX-UHFFFAOYSA-N 417.469 3.606 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCNC4)n3)c(Cl)cn2)CC1 261136416 MDHNKWXSQVMZGA-ULQDDVLXSA-N 415.969 3.924 0 1 HHAF COc1cc([C@@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)cc(OC)c1OC 299830883 YOOQATQUFQPOBY-GOSISDBHSA-N 422.485 3.886 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 299887948 ZQRSSZKSSSIKFV-XPCXPTRXSA-N 413.470 3.799 0 1 HHAF COC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473097935 DVNWKUJYFPKVSU-HNNXBMFYSA-N 403.895 3.756 0 1 HHAF O=C(c1cc(F)ccc1-c1cc[nH]n1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473162849 TXWBBDDTBCZZRU-PSGMQZRDSA-N 410.424 3.822 0 1 HHAF O=S(=O)(NCCc1nc2cc(F)c(F)c(F)c2[nH]1)c1c(Cl)cccc1Cl 586942641 GSMXYEQITXKOCJ-UHFFFAOYSA-N 424.231 3.808 0 1 HHAF O=S(=O)(Cc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951530 XGVIVOZKTUCNQJ-UHFFFAOYSA-N 405.911 3.544 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587227196 WKLIHMPYWCVXPE-MRXNPFEDSA-N 422.551 3.569 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)O2 587382028 MOIXGKFLCPINNM-GOSISDBHSA-N 413.417 3.501 0 1 HHAF COC(=O)N(C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587568390 CFHQYUHYHXWUMM-WOJBJXKFSA-N 405.406 3.995 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594115 LBJDDPZXVDGTOM-ZFXNLMIMSA-N 423.465 3.835 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(C3CCCCC3)c2O)c(O[C@@H]2CCOC2)c1 587925404 HHYCTRJHJKSHMU-MRXNPFEDSA-N 401.459 3.891 0 1 HHAF CCOC(=O)CC[C@]1(c2cc(OC)cc(OC)c2)NCCc2ccc(F)c(C)c21 962093202 OVXIXOMEKCBUCH-HSZRJFAPSA-N 401.478 3.884 0 1 HHAF COc1ccc(F)c([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1F 962703549 LYRXEQUCNMQMHY-LRDDRELGSA-N 405.294 3.820 0 1 HHAF CCCCNC[C@@]1(c2ccc(O)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962763447 KPCPUPLEUOPTOV-CTNGQTDRSA-N 406.448 3.671 0 1 HHAF C[C@@H]1Cc2ccccc2[C@@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963152359 UNRWRXMRHBBAHR-PTPDTQQLSA-N 400.500 3.825 0 1 HHAF CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963221832 FVRASWIJUFFQHW-PZJWPPBQSA-N 415.449 3.581 0 1 HHAF Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(Oc4ccnc(N)n4)c(F)c3)CC2)cc1 1772574056 ZEPIJLMUVPLFOR-UHFFFAOYSA-N 421.432 3.656 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(N)=O)cc21 1857614912 SIXBPZSWUNHFNZ-UHFFFAOYSA-N 421.447 3.918 0 1 HHAF OC[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3c(-c4ccsc4)ncnc32)[C@H](F)[C@@H]1O 1857648562 BPVVZXYFAJXONA-LRCYWBKYSA-N 419.865 3.555 0 1 HHAF N[C@H]1CC[C@H](Nc2cc(-c3csc(=NCC4CCOCC4)[nH]3)c(Cl)cn2)CC1 1857764721 HJVQEPUKVZEVTN-SHTZXODSSA-N 421.998 3.801 0 1 HHAF O=C(COc1nc(N2CCCC2)nc2ccccc12)NC12CC3CC(CC(C3)C1)C2 1911570655 JKUOTTYJAHTBJH-UHFFFAOYSA-N 406.530 3.694 0 1 HHAF COC(=O)C(Br)=Cc1cccc(C=C(Br)C(=O)OC)c1 2356316568 XLTJCOWXNNNTHD-UHFFFAOYSA-N 404.054 3.504 0 1 HHAF CC(C=C[C@H](O)CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@@H](C)[C@@H](O)C(C)=CC(C)C 2356350600 GADFOYPOADGIMS-YCAMKHIRSA-N 419.606 3.839 0 1 HHAF C[C@H](OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1 8662297 RAMFRUQUUHYKGX-HNNXBMFYSA-N 418.478 3.695 0 3 HHAF Cc1cc2c(cc1C)-n1nnnc1[C@H](N(Cc1ccccc1)Cc1ccccc1)C(=O)N2 95601263 OPGBBEUYMZKZTN-QHCPKHFHSA-N 424.508 3.975 0 3 HHAF CC(C)CCn1cc2c(nc(NC(=O)NC(C)(C)C)n3nc(-c4ccco4)nc23)n1 13672054 GBNHEFARCYMRAE-UHFFFAOYSA-N 410.482 3.700 0 1 HHAF O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc(I)cc1 14979789 JLHFCJWLPUCNSW-UHFFFAOYSA-N 422.222 3.809 0 1 HHAF Fc1ccc([C@@H]2C[C@H](N3CCN(CCN4CCN=C4S)CC3)c3ccccc32)cc1 26295100 KEZSHZKFTHXJAG-GOTSBHOMSA-N 424.589 3.621 0 1 HHAF O=C(O)c1ccc2c(c1)C[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 27326792 SJVGLZAGQNRNHN-AWEZNQCLSA-N 407.919 3.902 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCCO2)cn1 34717769 WXJOPUMLDHSETD-HSZRJFAPSA-N 408.454 3.843 0 1 HHAF O=S(=O)(NCCc1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F 40505475 QIBPAYYSORPALZ-UHFFFAOYSA-N 410.417 3.796 0 1 HHAF COC(=O)/C=C/c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Br)c2)cc1 45201364 QQCCCVUOYPSEDK-UELALMBDSA-N 418.331 3.890 0 1 HHAF COc1cc(OC)cc(-c2nc(C(=O)NCc3cccc(OC)c3OC)cs2)c1 82086258 LSEFDZYJNRJGNN-UHFFFAOYSA-N 414.483 3.775 0 1 HHAF CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cc(C)cc(F)c1 95581664 DTJOEOPOJPJBBH-UHFFFAOYSA-N 403.523 3.716 0 1 HHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C1=CC=CN(C(=O)OC(C)(C)C)C1 100050457 ISOBCBFQTYNJAF-PQMNFKMDSA-N 404.463 3.631 0 1 HHAF CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 101668531 UIDFTBVOAOGUDZ-QLGLJSNNSA-N 405.542 3.935 0 1 HHAF COc1ccccc1N1CCCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 113399211 WASBJZGHAFSXQF-UHFFFAOYSA-N 421.541 3.908 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 115317524 BRKOVFUTTJGJEO-PPJWLVRDSA-N 422.544 3.952 0 1 HHAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)CCNC4=O)nc2ccccc21 117689500 QDJIKBFFRCVUSA-AWEZNQCLSA-N 401.470 3.958 0 1 HHAF CN1O[C@]2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 141970859 DMRMCCPIFVLESW-HXUWFJFHSA-N 414.303 3.504 0 1 HHAF CCOc1cccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142416642 JVOWWRIIMVOWRX-MDWZMJQESA-N 408.479 3.965 0 1 HHAF C[C@@]1(C(F)(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 143583960 RIMDYISZNODGFW-KUHUBIRLSA-N 421.375 3.984 0 1 HHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)C[C@H](O)[C@@H]32)C1 153196353 TVQRVUWWMQFWHA-QRFMNVDVSA-N 402.623 3.991 0 1 HHAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 168945197 DDOIPTNOPZXSRC-TYKWCNGQSA-N 414.590 3.903 0 1 HHAF CCOC(=O)c1csc([C@@H](NC(=O)/C=C/c2ccc(OC)c(OC)c2)C(C)C)n1 169343791 SRVGBODIJSHYMU-RQMBKDMJSA-N 418.515 3.864 0 1 HHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cccc(F)c1OC[C@H]2CCN 200379080 WBSYKUINPIEBOY-ODXCJYRJSA-N 421.444 3.571 0 1 HHAF CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)C3CC3)c2cn1 203554629 MJNSPZPJHGYCTR-UHFFFAOYSA-N 403.486 3.773 0 1 HHAF O=C(C#Cc1ccc(-c2nnc(CO)o2)cc1Cl)Nc1ccc(C(F)(F)F)cc1 205059466 VPCQODKIKFEMTD-UHFFFAOYSA-N 421.762 3.891 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3cccc(Nc4ccc(C(=O)O)cc4)c32)cc1 299832676 QOZMAJIWYISPMH-UHFFFAOYSA-N 424.478 3.888 0 1 HHAF COc1cncc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 586955885 YIOHIMXUMFDWRL-UHFFFAOYSA-N 414.531 3.658 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3cc(OC)ncc3[nH]2)[C@H]1c1ccccc1Cl 587063552 WCBBJLHKYIKTIX-VBKZILBWSA-N 414.893 3.714 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 587124889 CYJCSSCESDMVGC-IMTBSYHQSA-N 401.190 3.891 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 587194204 APVZKBOYAINZJL-UHFFFAOYSA-N 423.498 3.500 0 1 HHAF Cn1ccnc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344157 WCIZDNMXSDRJKB-QPPBQGQZSA-N 415.424 3.963 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)N1CCC(C)CC1)O2 587397309 ZPTZITFRDURENU-QFIPXVFZSA-N 408.498 3.921 0 1 HHAF COC(=O)CCc1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 587437228 YIRZVQYNQKHILZ-GYCJOSAFSA-N 405.450 3.851 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O 587477297 QICSSCIUBABZAB-OYHNWAKOSA-N 419.474 3.533 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 587938766 ZWJMWTQKJWYALZ-BMLIUANNSA-N 419.275 3.958 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962719099 YDKHPKAKCHIHJC-HTAPYJJXSA-N 400.519 3.781 0 1 HHAF COc1cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1-n1cnc(C)c1 962728196 CQXQNEUDMDERPW-XLIONFOSSA-N 415.415 3.924 0 1 HHAF O=Cc1c(Cl)[nH]c([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1Cl 962980429 UTUWKARHEFTUHH-PELKAZGASA-N 409.603 3.754 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(Br)cc1C(=O)O 963614543 XEQAOQKREANQRR-MLCYQJTMSA-N 406.276 3.788 0 1 HHAF C[S@](=O)c1ccc(Nc2ccc3ncc(-c4ccc([S@](C)=O)cc4)n3n2)cc1 1857544924 DIJKZNBNQKPKPU-NSOVKSMOSA-N 410.524 3.615 0 1 HHAF O=C(Nc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)NC1CCCC1 1911571780 WMTQVHKPMFGFQQ-UHFFFAOYSA-N 421.505 3.602 0 1 HHAF COc1c(O)ccc(CCC(=O)C[C@@H](O)CCCO)c1-c1ccc2ccc(O)cc2c1 2356365827 SNNVMMGOTACRGZ-FQEVSTJZSA-N 424.493 3.952 0 1 HHAF COc1c(C=C[C@@](C)(CO)OC)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 2356856844 SDYUGOSPMGYUOF-QFIPXVFZSA-N 400.427 3.583 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4049692 ITTVTGYJDJYVCJ-FBPBVXOASA-N 408.498 3.597 0 1 HHAF CSc1ccc(C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 13601623 XIUXUGXORCTZSE-OAQYLSRUSA-N 401.491 3.954 0 1 HHAF COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1 13803893 FWEULTNOPCGTTA-UHFFFAOYSA-N 411.933 3.876 0 1 HHAF N[C@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12 14962395 KAKGFGCTONHQJW-KRWDZBQOSA-N 400.438 3.613 0 1 HHAF CNC(=O)/C=C(/c1ccc(C)cc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 27442069 ZCBORQFKRDJOPV-AQTBWJFISA-N 401.445 3.604 0 1 HHAF CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl 27902095 RVBDWZKWSXQLMF-RDJZCZTQSA-N 401.938 3.888 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3cccnc3[C@]12c1ccc(Cl)cc1 38334188 XYLQYEMLBGULBO-JOCHJYFZSA-N 407.832 3.687 0 1 HHAF COc1ccc(C2=NN(c3nc4ccccc4c(=O)n3C)[C@H](c3ccco3)C2)cc1 40862493 RDFLQJHKCILDSM-FQEVSTJZSA-N 400.438 3.891 0 1 HHAF COc1cc(OC)c([C@H]2CC(=O)n3c2c(/C=C/C(=O)O)c2ccccc23)cc1OC 45286755 NNRKUMHQDADXAG-ROJDOSBLSA-N 407.422 3.941 0 1 HHAF O=C1C=CC(=O)N1CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 45287120 ORWRCFHQRXUANX-UHFFFAOYSA-N 404.369 3.760 0 1 HHAF NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1 72109391 NFEGRCPLFOJJLU-UHFFFAOYSA-N 417.847 3.526 0 1 HHAF CC[C@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144011 UIYLKZDHZSFJDP-AWEZNQCLSA-N 414.506 3.616 0 1 HHAF NC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccc(O)cc1 84739220 UPOMWMSTGPYVBA-UHFFFAOYSA-N 419.462 3.616 0 1 HHAF CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@H]1CO 95569846 YTRWLKBZDOOEIO-AGILITTLSA-N 417.484 3.902 0 1 HHAF CCCCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922829 QUNRVUWNVCQRRT-UHFFFAOYSA-N 406.511 3.875 0 1 HHAF O=c1c(N2CCOCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 114764680 MRHRMQNRCKSQMH-UHFFFAOYSA-N 424.589 3.983 0 1 HHAF CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)C)[nH]n3)c2)ncn1 141875142 RTSWFHTZWZRGRG-UHFFFAOYSA-N 405.462 3.870 0 1 HHAF C[C@@H]1C[C@H](N)CN(c2ccncc2Nc2ncc3ccc(-c4ccccc4F)nn23)C1 142901243 OTWLCRXTCIMBPE-CVEARBPZSA-N 417.492 3.848 0 1 HHAF O=C(Nc1ccccc1)N1CCN(Cc2cccc(I)c2)CC1 197520292 LZJDXLXFTRXGIH-UHFFFAOYSA-N 421.282 3.641 0 1 HHAF CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1ccc(F)cc1 207729693 KZCGNJICICJIFR-UHFFFAOYSA-N 404.623 3.784 0 1 HHAF COc1ccc2c(c1OC)[C@@H]1C[C@H]3CC(=O)C[C@]4(c5cc6c(cc5CCN14)OCO6)[C@@H]23 238785193 HOZLCJIRVSAQBD-GJQRVSJSSA-N 419.477 3.707 0 1 HHAF N[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 261118536 JENCZQGBRRRHGE-JYJNAYRXSA-N 416.957 3.712 0 1 HHAF CN1CCN(CCNc2nc3cc(Cl)ccc3c3c2C(=O)c2ccccc2-3)CC1 299833725 IHUORFSZOSKTRX-UHFFFAOYSA-N 406.917 3.759 0 1 HHAF O=C1CCc2cc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3cc2N1 587017264 KIZPZEFUKBMLDR-UHFFFAOYSA-N 418.478 3.933 0 1 HHAF C[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc(Cl)cn1 587079066 FZWMORCBPBPGLQ-RXMQYKEDSA-N 408.030 3.675 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587111365 BANRSJKOSLKILS-WMZOPIPTSA-N 405.380 3.705 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239530 LBQBGNXMSNMDBS-TWWFPWMWSA-N 415.534 3.653 0 1 HHAF CS(=O)(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587530620 GCPHVXHNJAQLBY-HSZRJFAPSA-N 409.507 3.952 0 1 HHAF CC(C)(O)c1nn2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586200 JGJWIOYOVYFDQT-DENIHFKCSA-N 416.433 3.970 0 1 HHAF N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3)Cc1ccccc1 653778454 QXNSDPYYBICYLJ-KRWDZBQOSA-N 417.538 3.808 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@]3(CCCc4c3sc3nccn43)N12 962661605 HYZBGSWYFHQTJW-GOTSBHOMSA-N 418.522 3.623 0 1 HHAF CC[C@@H](C(=O)O)n1cc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962923510 REMHLDXOEYQVOK-BSRJHKFKSA-N 410.445 3.679 0 1 HHAF O=C1CCC[C@@H](CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)C1 1772612774 FJTKXDBMWYADJX-SNVBAGLBSA-N 417.915 3.908 0 1 HHAF Cc1nnc2n1-c1ccc(NS(C)(=O)=O)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857576218 HMWRGWCLFBYMFH-QGZVFWFLSA-N 417.922 3.700 0 1 HHAF Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2nn(C3COC3)cc2c1=O 1857643344 BXBISRAIFJWVDF-UHFFFAOYSA-N 422.485 3.893 0 1 HHAF COC[C@@H]1Cc2cc(OC)c3c(c2[C@@H](c2ccc(C)c(OC)c2)[C@H]1COC)OCO3 2356676255 RGKGGBJGKSZTNG-WFXMLNOXSA-N 414.498 3.954 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 72136096 GFEUDHHOTCFLCI-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CSc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 3814704 QONAWCBVRKXWKM-UHFFFAOYSA-N 413.446 3.927 0 1 HHAF O=C1C[C@]2(CC[C@@](O)(c3ccco3)[C@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 5822794 QOIBTJCCEGZCMA-GHEQTVGYSA-N 419.433 3.955 0 1 HHAF CCCN1CC(=O)N2[C@@H](c3cccc(Cl)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15956496 ZCRFGWPAEVEWJZ-KNQAVFIVSA-N 407.901 3.916 0 1 HHAF biogenic C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Cc1ccccc1)OCO3 25987763 WNFXGKOLZKHPOX-MRXNPFEDSA-N 413.477 3.766 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2C)[C@@H]1Oc1ccc(C(=O)O)cc1 27205230 TXGHTWKFHBZVGA-OAQYLSRUSA-N 410.470 3.957 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 28477128 ZJFUMBPXVUQPSJ-RBDSIQFVSA-N 419.690 3.684 0 1 HHAF O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 28866893 HYFUBQUHWHQSOK-IBGZPJMESA-N 419.312 3.664 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCOCCCC 82210824 QMRXDJZAWQBKNQ-HTXBJIGSSA-N 422.610 3.842 0 1 HHAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCN(C)CC2)cc1 95588545 IFGXBKHMKNMZBN-CQYWEGEGSA-N 422.525 3.670 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5cnccc45)ccc31)[C@H]1CC[C@H](C2)N1 100632927 IDSDRTXJSSYVFT-DNVCBOLYSA-N 403.507 3.909 0 1 HHAF CN1[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H]1CN(Cc1ccccc1)C2 100825598 MVTUOZHQDKFGRL-VXKWHMMOSA-N 418.585 3.841 0 1 HHAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccc(OC(F)(F)F)cc21 169722213 MZKUNDAMPNORKF-OAHLLOKOSA-N 412.295 3.945 0 1 HHAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C(C)(C)C)nc3n2)cc1CO 205172404 DZLWBRXUDBZZHQ-HNNXBMFYSA-N 422.529 3.715 0 1 HHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)nc3[nH]2)cs1 587014094 KBWUGUMWUMSYGQ-UHFFFAOYSA-N 410.297 3.869 0 1 HHAF Cc1cc(-c2nc3c(Cl)ncc(F)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125173 OFVDQRVJWWCIJM-UHFFFAOYSA-N 408.764 3.987 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 587201050 FKEKJLMPFXDGLT-UHFFFAOYSA-N 416.547 3.949 0 1 HHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)c1 587231873 GVPZNOLZVLOXLT-UHFFFAOYSA-N 412.493 3.882 0 1 HHAF C[C@@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337072 OGUYUGHISMXUQJ-OFNKIYASSA-N 407.397 3.610 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnn1[C@@H]1CCCCO1)O2 587377274 LZLMYCXPTKXQLV-CVEARBPZSA-N 406.280 3.942 0 1 HHAF COCOc1ccccc1[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435897 KANCWXOEOJJROW-NTKDMRAZSA-N 403.434 3.764 0 1 HHAF O=C1C[C@@H](c2cnc(O)c(I)c2)Oc2c1ccc1c2CCCC1 587509101 XKFQZSXKXNTTTM-INIZCTEOSA-N 421.234 3.977 0 1 HHAF CC(C)(C)OC(=O)N[C@@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587512771 PKJOEFAEOURLAD-AOMKIAJQSA-N 403.475 3.657 0 1 HHAF CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587515253 MPGLNYLOISFERI-DEOSSOPVSA-N 404.466 3.945 0 1 HHAF COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587577770 LQWMHZCXGCNOBG-NZQKXSOJSA-N 407.422 3.869 0 1 HHAF Cc1c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587707349 UJAKIRRYZPBJMR-AYVTZFPOSA-N 406.221 3.970 0 1 HHAF CCOC(=O)CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792704 CELDKPIHAFTBFP-VOJFVSQTSA-N 416.287 3.526 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 587827325 KIICHNWMKNRQGY-YBTHPKLGSA-N 404.279 3.939 0 1 HHAF CN1C(=O)C[C@H]2CN[C@H](c3cc(C(=O)c4ccc(F)cc4)cn3C)c3cccc1c32 963016965 DDYSSPSXTCZEIJ-WNSKOXEYSA-N 403.457 3.538 0 1 HHAF CCNC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](O)C2)cc1 1772636601 IFJAYRAWBPCKOQ-XDHUDOTRSA-N 423.557 3.905 0 1 HHAF Cc1nnc(O)c2c1c1cc(F)ccc1n2Cc1cn(Cc2ccc(F)cc2)nn1 1857553401 UPCFUUCRTSFTAE-UHFFFAOYSA-N 406.396 3.565 0 1 HHAF O=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OC3CCCC3)c(O)cc(O)c12 1857565839 WJRLRHACTIYGGQ-UHFFFAOYSA-N 422.481 3.602 0 1 HHAF Cc1ccc2nc(C[C@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356309498 MBCZSRRXPKLVPI-MOPGFXCFSA-N 405.498 3.596 0 1 HHAF CCOC(=O)C1=CC(=C2CCCC2)c2c(cc3c(c2OC)C[C@H](C(C)(C)O)O3)O1 2356368310 JSHXOQIHVRPDTI-LJQANCHMSA-N 400.471 3.937 0 1 HHAF C(=C/c1ccccc1)\CN1CCN([C@@H](c2nnnn2C2CCCCC2)C2CC2)CC1 72134170 XMQYFVMADPUJMD-BWAMLYQTSA-N 406.578 3.960 0 3 HHAF COc1ccccc1Nc1cc(C(=O)NCCCN2CCCC2=O)c2ccccc2n1 4911775 SIEJHCBSADSIJW-UHFFFAOYSA-N 418.497 3.729 0 1 HHAF O=C(NC1CCCC1)c1nnc(-c2ccc(CN3CCc4ccccc4C3)cc2)o1 6823515 IUKICQDMBTZNQX-UHFFFAOYSA-N 402.498 3.967 0 1 HHAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)CC(=O)N21 16040879 HIGPHOFWTCJBFK-LJQANCHMSA-N 407.901 3.852 0 1 HHAF biogenic COCC(=O)N(c1ccccc1OC)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26732296 KLDQMZIGULQNFS-HKUYNNGSSA-N 402.560 3.689 0 1 HHAF COc1cc2c(cc1OC)-c1c(OC)c(O)c(Br)c3c1[C@H](C2)N(C)CC3 29041648 OVHSYOZHNXMGQC-ZDUSSCGKSA-N 420.303 3.933 0 1 HHAF Cc1ccc(CNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 36378265 MIZKCYNMSIRCPU-UZCIPKQKSA-N 419.312 3.936 0 1 HHAF Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(I)c21 36473454 ZXQJOANOOIJKCB-UHFFFAOYSA-N 402.191 3.806 0 1 HHAF Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c2ccccc21 73198257 SMBXZRPOITXFSE-KDOFPFPSSA-N 405.523 3.852 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F 82196615 ICAQLNUIBNJXDJ-NZFAKOSKSA-N 424.516 3.637 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3cccc(CN4CCCC4)c3)n2)cc1 96315965 JMNXFCIFXVHPEZ-UHFFFAOYSA-N 423.542 3.855 0 1 HHAF CCC(C)(C)C(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166506187 MHQDAHDVHMNGTI-UHFFFAOYSA-N 408.502 3.655 0 1 HHAF O=C(N[C@@H](CO)c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167535289 YXJFBRFCOAUDJT-QFIPXVFZSA-N 401.466 3.698 0 1 HHAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccc[nH]1 210678001 ZMGCELMSGYDGBK-UHFFFAOYSA-N 408.546 3.928 0 1 HHAF Cc1cc(-c2ccc(N(C)CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 473126171 ZGRBWKLEMFYLEU-UHFFFAOYSA-N 410.481 3.984 0 1 HHAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587087974 QHMYOGDUVTWJOT-UHFFFAOYSA-N 413.890 3.591 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)cc1 587170320 OILJYDMNDUVELS-UHFFFAOYSA-N 411.414 3.899 0 1 HHAF Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)nc2ccc(C(=O)O)cc2c1Cl 587368389 JFJPUYCLDUPZLF-UHFFFAOYSA-N 410.817 3.543 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O 587422879 GHOAGFNTTJHQAR-HQXPBLECSA-N 423.456 3.950 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)c3cc(F)c(F)cc31)CC2=O 587470723 HIVDOQPRHJVNOS-HXUWFJFHSA-N 408.422 3.661 0 1 HHAF COc1ccc2[nH]c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587587833 PXJIHRLSDRRYCQ-REWPJTCUSA-N 415.401 3.945 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O 587595307 REQVNRIECLUMLL-CVDCTZTESA-N 408.406 3.992 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587727027 BEBQFFOBKOFHKJ-HOGDKLEQSA-N 422.225 3.866 0 1 HHAF CCOC(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587771701 CJWZWIGLLVBWHV-CWTRNNRKSA-N 407.283 3.714 0 1 HHAF COC[C@@]1(CCCCC2OCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835691 XREOTPKBURXSLP-ORAYPTAESA-N 416.331 3.897 0 1 HHAF CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccnc3[nH]c(C4CC4)nc23)CC1 653667419 GAKHNZCPRFLLCT-CTYIDZIISA-N 413.522 3.649 0 1 HHAF Cc1cccc2ncc([C@@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)n12 962923111 MGYBCBCUNSFAID-NZQKXSOJSA-N 415.449 3.829 0 1 HHAF Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772614936 FFGOLDWBKVSWEI-UHFFFAOYSA-N 420.488 3.813 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@H](CO)C1 1772632477 OSPYCYCCLNKMPL-ZDUSSCGKSA-N 417.387 3.895 0 1 HHAF O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3F)c2)cc1 1857639742 CQJJXBNOLODWQE-UHFFFAOYSA-N 400.427 3.930 0 1 HHAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(C=Cc2ccc(Cl)cc2)ccc1=O 2356516822 KUOZRCZJIMZQNK-AEFFLSMTSA-N 414.958 3.981 0 1 HHAF COCc1cc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC 12755535 XSGXJGUYTOMYMP-GOSISDBHSA-N 400.494 3.623 0 3 HHAF Cc1c([C@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 36389242 NWBQYTCWXYBQRT-NDBYEHHHSA-N 418.486 3.655 0 3 HHAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N 767921 QZEZCFMOXLGNLG-JTHBVZDNSA-N 401.466 3.686 0 1 HHAF O=C1[C@H]([C@H](O)COc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 1484934 MMNZCESXFOCVMF-YPAWHYETSA-N 411.404 3.814 0 1 HHAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccn2)[C@H]1c1c[nH]c2ccccc12 2469333 CKRQPQXSVGLEIO-DHIUTWEWSA-N 410.477 3.790 0 1 HHAF CCc1cc2c(cc3c(=O)n(CC(=O)NC4CCC(C)CC4)nc(CC)n32)s1 6749598 FWFYUJNVMVYEMJ-UHFFFAOYSA-N 400.548 3.530 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CN(c1ccc(C(=O)Nc3ccccc3N)cn1)C2 100071144 YCAXAMGLAZSIOJ-IAGOWNOFSA-N 423.517 3.504 0 1 HHAF COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@@H](CCCCC[C@@H](C)OC(C)=O)O2 103275337 MQTUQRYXMJDNHJ-RHSMWYFYSA-N 406.475 3.647 0 1 HHAF OC1=NCCN1CCN1CCN([C@H]2C[C@@H](c3ccc(Cl)cc3)c3ccccc32)CC1 26382316 FBEYCJGEXYBVOE-GOTSBHOMSA-N 424.976 3.764 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(NC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410524 ATNLARLOBDNYEU-XDNJVSCNSA-N 403.611 3.839 0 1 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2cccc(Cl)c2)O3)c1 61906149 WFFFNSCNXPHODA-OAQYLSRUSA-N 421.884 3.980 0 3 HHAF O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cc2ccccc2oc1=O 49111368 MOTTXOKKXBLAHI-UHFFFAOYSA-N 405.431 3.825 0 1 HHAF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2F)n1 82152178 LMBKAEBYCAWVAI-HOTGVXAUSA-N 400.498 3.849 0 1 HHAF Cn1nccc1[C@H]1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C(=O)O)C1 49055170 GJTMXIQJSWMHLR-SFHVURJKSA-N 419.481 3.634 0 1 HHAF COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261154273 PPBAFHRXACXAFW-KESTWPANSA-N 400.563 3.512 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 299876966 GMWPUZKNIGFKEC-QBGRRASTSA-N 416.543 3.762 0 1 HHAF CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1 653780771 LKLVDENVDMONMJ-UHFFFAOYSA-N 416.587 3.772 0 1 HHAF Cn1nc(C(=O)O)c(I)c1-c1nc2c(C(C)(C)C)cccc2[nH]1 587181581 WAOKXLVWIFZZFV-UHFFFAOYSA-N 424.242 3.564 0 1 HHAF COC(=O)c1ccc(-n2c(O)ccc2OCCc2ccccc2)c(O[C@H]2CCOC2)c1 587924840 LFZFDUNFBGEZFQ-IBGZPJMESA-N 423.465 3.759 0 1 HHAF COc1cccc(NC(=O)C[C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587392336 YAFBYVKSMJZGLA-XMMPIXPASA-N 417.465 3.870 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 587125357 DPKWWEIVNGXZTG-LHLIQPBNSA-N 401.190 3.891 0 1 HHAF C/C(=C\[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587573269 SHTCSQFURYCYKA-ITTSFCMDSA-N 403.438 3.505 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 587414615 WNAOLFAUGDXXNO-URXFXBBRSA-N 417.417 3.552 0 1 HHAF COC(=O)c1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1OC 587073407 IFFBVALRQVEKAL-UHFFFAOYSA-N 411.849 3.627 0 1 HHAF Brc1ccc(C[n+]2ccn(Cc3c4c(cc5c3OCC5)OCC4)c2)cc1 1772607306 YBTPZKFFHDTJPC-UHFFFAOYSA-N 412.307 3.505 0 1 HHAF Cc1cc(-c2nc3ccc(OC(C)C)nc3n2[C@@H](C)c2ccccc2)nn(C)c1=O 1772654443 IDJYYACQZIWGBN-INIZCTEOSA-N 403.486 3.897 0 1 HHAF CCOC(=O)c1cc(NC(=O)Nc2ccccc2F)n(C[C@@H](O)c2ccccc2)n1 1772607815 KOMZSRPVOVYFPN-GOSISDBHSA-N 412.421 3.577 0 1 HHAF O=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1cnn(-c2ccccc2)c1 11973738 UBZAYRPAIJQMEQ-NRFANRHFSA-N 414.440 3.807 0 1 HHAF CCN(CC)c1nc(C)nc(N(CC)c2c(Br)cc(OC)cc2OC)n1 13794511 IWZODEPQYALBFO-UHFFFAOYSA-N 424.343 3.964 0 1 HHAF Fc1cnc(-c2ccccc2C(F)F)nc1NC[C@H]1CCN(c2cnccn2)C1 169305325 BBXDTCBGRMUDSM-CYBMUJFWSA-N 400.408 3.949 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@]3(C)CNC(=O)C3)nn2-c2ccccc2)c1 169706959 LZMRDQMIIGIASF-DEOSSOPVSA-N 402.498 3.957 0 1 HHAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)OC1(CCCC1)C(=O)N2c1ccc(Cl)cc1 206846488 CABPGWSZXKCWHY-ZDUSSCGKSA-N 414.893 3.651 0 1 HHAF Cc1nc(CCN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc(-c2cccs2)n1 1857572288 CWXVDQKIRRFSDW-IRXDYDNUSA-N 400.548 3.750 0 1 HHAF CNc1cc(-c2ccc3cnn(Cc4cc(OC)cc(OC)c4)c3c2)cn(C)c1=O 1857587468 BBYODNXYGZVTRI-UHFFFAOYSA-N 404.470 3.509 0 1 HHAF O=C(Cc1ccc(F)cc1)N1CCC([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 205790592 GCUYSCRDNLRJNF-VWNXMTODSA-N 419.500 3.824 0 1 HHAF CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 327371889 LVXYAYIYOLMOLQ-UHFFFAOYSA-N 404.231 3.525 0 1 HHAF CCC(=O)N1CCc2cc(S(=O)(=O)N3c4ccc(F)cc4CC[C@@H]3C)ccc21 4969158 PRGABVSPTCIEED-AWEZNQCLSA-N 402.491 3.655 0 1 HHAF CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2C2CCCCCCC2)cc1 13560508 GORVNCPAYFTKGV-UHFFFAOYSA-N 407.492 3.947 0 1 HHAF O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 13589850 GKKJCDQBYJQSQR-SFZDQAMXSA-N 414.461 3.764 0 1 HHAF in-vivo CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 13764549 YTHHMIXZTYAFQZ-UHFFFAOYSA-N 409.578 3.531 0 1 HHAF COc1ccc(CCNCC[C@H]2OCCCc3cc(OC)c(OC)cc32)cc1OC 27729129 DHCAGRJVHQDYLV-HXUWFJFHSA-N 415.530 3.947 0 1 HHAF CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187623 KETNBTUTTVRTAU-IBGZPJMESA-N 408.525 3.982 0 1 HHAF COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2Cl)CC[C@H](N(C)C)C1 95552426 RMMBNMYQECMRRI-AWEZNQCLSA-N 418.946 3.959 0 1 HHAF CCCC[C@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCO[N+](=O)[O-])c3)ccc21 95602874 HGWGOHFHEBRKMB-LJQANCHMSA-N 414.414 3.928 0 1 HHAF O=C(OCCCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccccc1 100900126 DHPUHTCQTDVDKE-FKBYEOEOSA-N 413.539 3.545 0 1 HHAF CCOC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Br)cc1 103230088 XGPGCLJALOSMJS-UXBLZVDNSA-N 414.255 3.755 0 1 HHAF C(=C/Cc1cc2ccc(C3=NCCN3)cc2[nH]1)\Cc1cc2ccc(C3=NCCN3)cc2[nH]1 103251425 LKKGFQHARLOTRT-OWOJBTEDSA-N 422.536 3.690 0 1 HHAF Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1 114079134 OGGNUGUPULLVNE-UHFFFAOYSA-N 405.889 3.954 0 1 HHAF CO[C@@]1(COc2cc(F)cc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 117670128 JEKGYBBSKUISTO-QHCPKHFHSA-N 421.476 3.621 0 1 HHAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2C1 218275172 PXNWKNBQGVYSEZ-MRXNPFEDSA-N 413.481 3.518 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1C=Cc2c(nnn2-c2ccccn2)C1 225972553 NVGLGLVUJBZEBT-UHFFFAOYSA-N 405.767 3.961 0 1 HHAF CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)n1cc(C)c(O)nc1=O 299860953 KBLLOCCKEGVZGZ-KRWDZBQOSA-N 402.491 3.685 0 1 HHAF COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1nc2ccccc2s1 299867441 YBEZMFUFLCWMGW-KRWDZBQOSA-N 410.524 3.736 0 1 HHAF CN(CCc1nc2cc(N)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194441 TUTGDNQAPCVJKB-UHFFFAOYSA-N 413.481 3.964 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)o1 587599093 ZGRSIBWXKNOXIV-OFNKIYASSA-N 407.422 3.520 0 1 HHAF Cn1cnc2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ccc21 587655890 CZAHUZUBGDYIEG-UHFFFAOYSA-N 416.387 3.917 0 1 HHAF O=C(c1ccc2c(c1)CCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656484 LKNRCIGAXYZXHA-UHFFFAOYSA-N 404.372 3.965 0 1 HHAF CCOc1ccc(-c2nn(C(=O)[C@H]3CCCOC3)c(=O)c3ccccc23)cc1OCC 587669863 QNBDEXOPYUCAGH-KRWDZBQOSA-N 422.481 3.928 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)nn2C)N1 587683162 OBYUOKNMYMZEAG-WJWGPLDTSA-N 403.093 3.708 0 1 HHAF CNC(=C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC 587741812 IOVFFFJOPAMTHB-SZNDQCEHSA-N 418.354 3.955 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccn(Cc2ccccc2)c1=O 587873338 XIGQDMNDJGRGAI-UHFFFAOYSA-N 417.440 3.986 0 1 HHAF c1cnc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)nc1 653726529 QRVXPERVPXCYMH-UYAOXDASSA-N 400.486 3.703 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)[C@H](C(=O)C(F)(F)F)[C@@H]2CC[C@@]1(C)C2(C)C 962921584 HSTKVHCRFGIFCW-LSHXESDTSA-N 422.491 3.933 0 1 HHAF COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)c1c(F)cccc1C[C@H]1CCCN12 963099801 IJSVHHFPSLLPIA-WLENULPWSA-N 418.509 3.614 0 1 HHAF COc1ccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@]23NCCc2ccc(O)cc23)cc1 963329803 UQHSTPDWXOIXCL-RPBOFIJWSA-N 417.461 3.767 0 1 HHAF CN(C)c1cccc(-c2cnc3cnc(-c4cccc(NS(C)(=O)=O)c4)cn23)c1 1857584139 SVWDFHDWWBUYSG-UHFFFAOYSA-N 407.499 3.501 0 1 HHAF CCn1c2ccc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)cc2c2ncccc21 1857638773 MNIVTPOEHAXKKD-UHFFFAOYSA-N 421.522 3.933 0 1 HHAF OCc1cn(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)nn1 1857761939 DHDHTWMSTZMKMD-UHFFFAOYSA-N 400.269 3.978 0 1 HHAF COc1ccc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3CCCO)n2)cc1 12507231 PPXYLFFNYBPWRN-SFHVURJKSA-N 424.526 3.696 0 3 HHAF O=c1c(CC[S@](=O)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1 601310 AUMHDRMJJNZTPB-GDLZYMKVSA-N 404.491 3.684 0 1 HHAF biogenic CCCc1c(COc2ccc(C(=O)CCCc3nnn[nH]3)cc2)ccc(C(C)=O)c1O 2012999 FNPWLXWVVLEIDH-UHFFFAOYSA-N 422.485 3.845 0 1 HHAF C[C@@H](CCc1ccccc1)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O 3053686 FNGOTFWZRBTMBS-INIZCTEOSA-N 417.912 3.854 0 1 HHAF CCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 3775474 POSMARWRXDNPAX-UHFFFAOYSA-N 421.541 3.908 0 1 HHAF CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 13743419 PDSWEFSKVYAJAV-UHFFFAOYSA-N 423.532 3.725 0 1 HHAF COc1c(C)c(OC(=O)c2c(C)c(C=O)c(O)c(C=O)c2O)c(C)c(C)c1Cl 14613423 FFZZBFXZPRPHHF-UHFFFAOYSA-N 406.818 3.838 0 1 HHAF biogenic CN(CCOc1ccc(CC[C@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 27323353 KZZJRJLNXTWZFS-GOSISDBHSA-N 411.483 3.627 0 1 HHAF O=C1NC(=O)[C@@H](S(=O)(=O)c2ccc3cc(OCc4ccccc4)ccc3c2)S1 29214085 YJDORPMUYHJEBA-LJQANCHMSA-N 413.476 3.502 0 1 HHAF CC[C@@H](C)Nc1cc(-c2[nH]c(SC[C@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40393261 GMZIOTLCLOPOAC-CXAGYDPISA-N 416.522 3.934 0 1 HHAF CCN(CC)CCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40846606 JOWBTMNHXTYWFA-QHCPKHFHSA-N 411.498 3.805 0 1 HHAF COc1ccc(CN2CCC3(CC2)O[C@H](OC)Cc2c3cnn2-c2ccccc2)cc1 72118563 ZXQHKTGDWINRKN-DEOSSOPVSA-N 419.525 3.917 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](CCCCN[C@@H]1CCCc3[nH]c(=O)ccc31)C2 95581268 FPPCSQYNOOZECN-HNAYVOBHSA-N 410.514 3.585 0 1 HHAF C[n+]1ccc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 100075704 LKTPLZFNGGBNFL-UHFFFAOYSA-O 404.877 3.989 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@@]2(N=C(N)N(C)O2)C2(CCC(C)(O)CC2)C3)c1 142208304 OFJOAKRTCYRUHH-VHYCJAOWSA-N 407.514 3.574 0 1 HHAF CCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706987 HVQKRIPYZSSZOV-LJQANCHMSA-N 402.498 3.957 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163442 PQFAHEKXTCMVCC-UHFFFAOYSA-N 423.469 3.850 0 1 HHAF C[C@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332375 DLJNLAJQSZYUKI-JTHBVZDNSA-N 409.413 3.948 0 1 HHAF CCc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358217 WEXOMXVYWIIBOV-ZJSXRUAMSA-N 408.425 3.659 0 1 HHAF COC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587373706 MZBVEMRGUSSCQL-DJPFJPOOSA-N 402.443 3.555 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncncc2Br)N1 587680302 PFLXRVGEUIRDAS-VXJOIVPMSA-N 415.104 3.938 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@H](C)[C@H](O)c3ccc(OC)cc3)nc2c1 587938769 ZWJMWTQKJWYALZ-QGHHPUGFSA-N 419.275 3.958 0 1 HHAF COc1ccc(CNc2c(-c3ccccc3NS(C)(=O)=O)nc3ccccn23)cc1 653717568 WOAPDKNONHNYOI-UHFFFAOYSA-N 422.510 3.994 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 963178790 DXDAKRQQEJIEHS-NLRWSCMDSA-N 409.835 3.931 0 1 HHAF COc1ccc2c(c1)[C@]1(CCCc3nc(N)ncc31)N(Cc1ccc(F)cc1)CC2 963305386 XNWJASYLSLRPLR-DEOSSOPVSA-N 404.489 3.845 0 1 HHAF CNCC[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]1)c1nc(C)c(CO)s1 1772575377 VMRGIDTZAQRMHU-KRWDZBQOSA-N 418.950 3.673 0 1 HHAF COc1cccc([C@H]2CS(=O)(=O)Oc3c2c(C2CC2)nn3-c2cccc(F)c2)c1 1857612706 XXOULTLHZZQCCS-GOSISDBHSA-N 414.458 3.752 0 1 HHAF COc1cc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)c(Cl)c(OC)c1OC 1857770014 CQASBAXLJCMARD-UHFFFAOYSA-N 416.257 3.703 0 1 HHAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](SCCN)C[C@H]1[C@@H]2C(=O)OC 2356498443 AICWVYNHUHODST-RCOXNQKVSA-N 413.587 3.513 0 1 HHAF COc1ccccc1CN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 3955824 PSKSATYLWFPWSW-UHFFFAOYSA-N 414.571 3.762 0 1 HHAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 4051185 MVLMLUFVSRJKDS-WPFOTENUSA-N 419.525 3.639 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4207604 FFKIVJFCPGMJIR-DFEOGRTESA-N 404.919 3.913 0 1 HHAF CC1(C)[C@H](CC[C@@](C)(O)CCOc2ccc3ccc(=O)oc3c2)[C@@](C)(O)CC[C@H]1O 15215446 SKOQTSGTXDUTPI-TYJFDUFHSA-N 418.530 3.641 0 1 HHAF biogenic CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 26503819 NIFVCKUGKKGEQN-UHFFFAOYSA-N 415.559 3.740 0 1 HHAF O=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(OC2CCC2)c1 26832105 PLFOOFNVJVQCNI-UHFFFAOYSA-N 400.422 3.912 0 1 HHAF COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CN(C(C)C)CC4)cc1 28948984 GVBUIEUTNWOIIL-UHFFFAOYSA-N 401.557 3.944 0 1 HHAF O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)cc21 64540456 WMTJVDAYQLPIMI-UHFFFAOYSA-N 419.500 3.813 0 1 HHAF Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCOCC1 66079011 VTVZILBDEWPGLZ-UHFFFAOYSA-N 418.522 3.989 0 1 HHAF COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(OCCN(C)C)cc1 96932203 AKKATVMDHBEASX-LADGPHEKSA-N 407.514 3.506 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100101335 YHLFTNYYESJZQO-NUNAXRQHSA-N 408.498 3.621 0 1 HHAF CCOc1ccccc1-c1nnc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)n1CC 101263100 CWPYVDQQUPMLSF-BFYDXBDKSA-N 400.548 3.761 0 1 HHAF CCN(c1ncc(Cl)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 145877806 RMVCPWCCQPXPRA-AWEZNQCLSA-N 402.857 3.692 0 1 HHAF COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)Nc1ccccc1 169686021 OZUYGRMDAUIGGV-IPJJNNNSSA-N 421.497 3.598 0 1 HHAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc([C@H](O)C4CC4)cn3)cc2n1 205635082 IPNBIDASHDPKHN-HSZRJFAPSA-N 416.456 3.828 0 1 HHAF Cc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)nc(N[C@@H](C)c2ccc(C(C)(F)F)cc2F)n1 221674921 MFKGBSTYHGRYAC-HWWQOWPSSA-N 424.423 3.915 0 1 HHAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2ncccc21 253666909 QIUAKUUKOPXXCA-BJWYYQGGSA-N 402.420 3.744 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586941151 PDNQLYUTRDLZSA-CMDGGOBGSA-N 411.405 3.860 0 1 HHAF COC(=O)c1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2n1 586967530 AMIYFRRYJUBOCU-UHFFFAOYSA-N 414.878 3.579 0 1 HHAF COC(=O)c1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1OC 587006230 BGPOPQNAWXFWLU-UHFFFAOYSA-N 401.220 3.664 0 1 HHAF COC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1OC 587043165 PTFNJAGDYNNZQJ-CQSZACIVSA-N 417.874 3.667 0 1 HHAF Fc1cncc(Cl)c1Cc1nc2c(I)cnc(Cl)c2[nH]1 587176671 ZPVUVFOPGNLENR-UHFFFAOYSA-N 423.016 3.994 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cn4)nc3c2)cc1 587194435 FYKSVPMYOYGVCA-UHFFFAOYSA-N 423.498 3.500 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 587797855 XUTNDAQZELGLOQ-WWGWPZPMSA-N 419.294 3.568 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C 587829106 VYZODSMVPFCUSU-CUZVYMRTSA-N 424.310 3.798 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](C)(CNC(C)C)N2C(=O)OC(C)(C)C 962701933 DNSYAOUIJQFVLZ-DHIUTWEWSA-N 420.525 3.690 0 1 HHAF COc1cc2c(cc1OC)[C@@](CC(C)C)(C(C)=O)N(C(=O)c1ccccc1N)CC2 963156357 IEXFSCFBDKFEAL-XMMPIXPASA-N 410.514 3.815 0 1 HHAF Nc1ncnc2c1c(-c1ccc(Br)c(O)c1)nn2C1Cc2ccccc2C1 1772624570 FZTMVHAUQSSXMI-UHFFFAOYSA-N 422.286 3.884 0 1 HHAF CCc1cncc2c(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)cccc12 1857639758 IIKPEYATRJQMQZ-UHFFFAOYSA-N 404.514 3.917 0 1 HHAF Cc1cc(OCCCCN2CCN(c3ccncc3)CC2)c2c(C)cc(=O)oc2c1 1857648111 YJEOMTRZFVMNBZ-UHFFFAOYSA-N 407.514 3.786 0 1 HHAF Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCn3ncnc3C2)cc1 1857770475 PBYIRPCHJDFIBO-UHFFFAOYSA-N 405.893 3.534 0 1 HHAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1c1c(Cl)c2cc(Cl)ccc2oc1=O 1911578605 SLCHLSFFGNVIKX-CQSZACIVSA-N 413.209 3.551 0 1 HHAF COc1cccc(OC)c1Nc1nc(C)nc2c1nnn2Cc1ccccc1Cl 4922318 RXXGCQMXIZHLBU-UHFFFAOYSA-N 410.865 3.992 0 3 HHAF COc1ccc(C(=O)N2CCC[C@H](c3cc(C(=O)Nc4ccccc4)no3)C2)cc1 61930374 KLNUVNYBMVXFGR-KRWDZBQOSA-N 405.454 3.955 0 3 HHAF COC(=O)C1=C(c2ccc(OC)c(OC)c2)O[C@H](c2ccc(OC)c(OC)c2)C1 1616648 CVBAOZNTGIDNRI-SFHVURJKSA-N 400.427 3.767 0 1 HHAF O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCCO4)cc(F)cc21 12356378 BOYAFRZUOYZYEC-UHFFFAOYSA-N 415.461 3.553 0 1 HHAF CC(C)C[C@H](NC(=O)c1ccc(NCc2c[nH]cn2)cc1-c1ccccc1)C(=O)O 13796728 KZMSAVPDHMHSQO-NRFANRHFSA-N 406.486 3.918 0 1 HHAF COCCCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 28356602 SUWHTTRUPAXQDL-UHFFFAOYSA-N 410.305 3.855 0 1 HHAF C[C@H]1CC(=O)Nc2c(CCN3CCN(c4noc5ccccc45)CC3)cc(F)cc21 28525925 CMUNQMWNWMOYLV-HNNXBMFYSA-N 408.477 3.777 0 1 HHAF Cc1ccc2c(N3CCN(CCCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 34105721 KUHPGAJPCWMMRP-UHFFFAOYSA-N 416.525 3.629 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(CO)[C@@H]2C[C@@H](O)[C@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@H]3O 40576721 PKVICYZLWZIYRA-FLADWLALSA-N 404.591 3.890 0 1 HHAF COC(=O)/C=C/c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Br)c2)cc1 45201368 QQCCCVUOYPSEDK-NPMOGHLISA-N 418.331 3.890 0 1 HHAF Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 72179597 PITXZQYNTGERNV-UHFFFAOYSA-N 408.506 3.845 0 1 HHAF CC(C)(CCC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O 146767733 BMKRYEXFRLSPPP-UHFFFAOYSA-N 419.437 3.978 0 1 HHAF COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)CC(=N)C=C2 169347094 DFNQXZDQNHFOHT-UHFFFAOYSA-N 407.495 3.795 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 169360333 ZJFUMBPXVUQPSJ-JLUCKKNBSA-N 419.690 3.684 0 1 HHAF Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N 224745258 VUKXSVHZAXJTNB-UHFFFAOYSA-N 414.506 3.917 0 1 HHAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(C(C)C)cc3)n2)n[nH]1 261136731 MFJUEHRVOHMXFP-UHFFFAOYSA-N 407.522 3.919 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc3ncccc3c2[nH]1 586947223 ZGJUGBURCDKNRT-HNNXBMFYSA-N 422.510 3.544 0 1 HHAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(N)ccnc3[nH]2)c1C 587166260 WGHBQQSVIQJQQE-UHFFFAOYSA-N 407.449 3.876 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)/C=C\C(=O)O)cc1)CC2=O 587469061 HHDPLOINDSJRIP-GBJNBNQZSA-N 409.438 3.805 0 1 HHAF Nc1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(Br)c1 962973344 KHLOEABEZXPSHR-SWLSCSKDSA-N 417.637 3.651 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(C(=O)c4ccc(F)cc4)cn3C)c3cccc1c32 963016961 DDYSSPSXTCZEIJ-IQMFZBJNSA-N 403.457 3.538 0 1 HHAF Cc1nnc([C@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)s1 963841944 UFDOGJMMFVFTIY-RHSMWYFYSA-N 403.504 3.881 0 1 HHAF NC(=O)c1cnn2c1N(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)C2 1772639719 IYJCSHSRTQKMDB-INIZCTEOSA-N 415.375 3.794 0 1 HHAF N=C(N)c1ccc2[nH]c(-c3ccc(OCc4cn(-c5ccccc5)nn4)cc3)nc2c1 1857538125 RPVPUJLBGBMDDX-UHFFFAOYSA-N 409.453 3.674 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@@H]1CC(=O)NCc1ccccn1 2356290681 YXMODWRGEWQFAS-SBHAEUEKSA-N 400.567 3.650 0 1 HHAF CCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1-c1ccc(CN)cc1)OCNC 2356367940 GQYKKNXKYMKIOS-NRFANRHFSA-N 414.546 3.781 0 1 HHAF O=C(Nc1cccc2ccccc12)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61930812 NAZIJUXTQMVVRK-XUVXKRRUSA-N 420.490 3.885 0 3 HHAF COCc1cccc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)c1 3962429 BCCRAFCMMIFCKU-WRBWEIJPSA-N 417.546 3.709 0 1 HHAF Cc1cc(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c(CC2CCCC2)n1Cc1cccnc1 14973965 RTUDFLKEXHVFKC-KDURUIRLSA-N 423.557 3.582 0 1 HHAF CCCCCCOc1cc(NC(=O)Cc2ccccn2)ccc1N(C)S(C)(=O)=O 45286171 BMHYUXYZBJYUIP-UHFFFAOYSA-N 419.547 3.618 0 1 HHAF O=C(O)CCNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49114860 LDFAKIOLAHFILH-CYBMUJFWSA-N 401.290 3.958 0 1 HHAF O=S1(=O)CCC(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1 73223400 BITWXVYTBYRISR-UHFFFAOYSA-N 419.587 3.602 0 1 HHAF Fc1cccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)c1 82179540 VISWGPBKUNDRKJ-LJQANCHMSA-N 418.476 3.861 0 1 HHAF CCCSc1nc(N2CCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1 95578245 ZLGMJDQCLXIRIW-UHFFFAOYSA-N 405.564 3.947 0 1 HHAF COc1ccccc1CN1[C@H](CO)[C@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@H]21 95894762 WTXSGWSQTIWVGJ-OYRHQHFDSA-N 420.553 3.951 0 1 HHAF Cc1cccc(C)c1NC(=O)CN1C[C@@H]2CC[C@@H](C1)N2c1ncnc2sccc12 101850699 IBRWYASHNPXKCB-IRXDYDNUSA-N 407.543 3.600 0 1 HHAF COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(CCc3ccccc3)C2=O)cc1 103243722 SVFZLYHGVXPBGQ-UHFFFAOYSA-N 415.493 3.557 0 1 HHAF CCOc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1OC 104060241 MNEJLBKEYPTJAC-LFVOPCPISA-N 413.478 3.895 0 1 HHAF Cc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 114344593 RWDHVFTXNBLJFJ-UHFFFAOYSA-N 411.465 3.902 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@]34CNC(=O)[C@@H]3C4)nn2-c2ccccc2)c1 143738363 FBDBCWULQGGMTC-YADARESESA-N 400.482 3.566 0 1 HHAF CNc1nc(Nc2cc3oc(C(=O)N(C)C)cc3cc2OC)ncc1C(F)(F)F 169704560 JVOWNCWYCWEMDN-UHFFFAOYSA-N 409.368 3.737 0 1 HHAF Cc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(N3CCOCC3)c2c1 201538905 YQDKOHXJZJRVLC-UHFFFAOYSA-N 402.903 3.866 0 1 HHAF Fc1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 587186674 OEFVKIUEFLKFBI-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCOc1cccc(I)c1)O2 587387282 QACJECVLDNOKHW-CQSZACIVSA-N 423.250 3.985 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4cccc(OC)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587454680 VXNYCZFNEOXTQS-OWJWWREXSA-N 418.401 3.912 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCC(=O)O)c(OC)c1)CC2=O 587478602 GKDYKZLJZOQAJQ-LJQANCHMSA-N 400.427 3.913 0 1 HHAF CCn1cc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cn1 587652021 UBIGKAHFNMQDLX-UHFFFAOYSA-N 420.782 3.731 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2nccn2C)N1 587757845 WCHJJHAISLLYAL-BUXKBTBVSA-N 401.283 3.543 0 1 HHAF COc1ccc(C[C@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC 587927816 XUYBTXZYZKVUOK-AWEZNQCLSA-N 419.485 3.986 0 1 HHAF O=C(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(F)cc2C[C@@H]2CCCN23)cc1 963106829 NDWAYODMBAHVOF-FQEVSTJZSA-N 408.473 3.676 0 1 HHAF COC(=O)CNC(=O)c1ccc(Oc2nc3ccccc3nc2NC(C)(C)C)cc1 1772589929 RZFDGFSROJKPOC-UHFFFAOYSA-N 408.458 3.535 0 1 HHAF COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1cccc(C(F)(F)F)n1 1772654441 HVQSWWJIDZBBRV-STQMWFEESA-N 409.408 3.881 0 1 HHAF COc1cccc2c1OCC(C(=O)N1CCC[C@H]1c1ncc(-c3cccnc3)[nH]1)=C2 1772655682 UBWKOQNKFNAMHD-IBGZPJMESA-N 402.454 3.620 0 1 HHAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(N3CCCC3)n2)c1 1857613921 PWBWMHSHSBAIPL-UHFFFAOYSA-N 410.499 3.852 0 1 HHAF O=C(O)C[C@H](c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857746928 VOHNKGZBBQPXRX-HXUWFJFHSA-N 415.401 3.864 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055655 NMAUNUZKXVTNQI-DFEOGRTESA-N 404.919 3.913 0 1 HHAF COc1ccc(Oc2ncc3nc(-c4ccc(OC)cc4)c(=O)n(C4CC4)c3n2)cc1 4238818 SOGBWUGCTDSXCM-UHFFFAOYSA-N 416.437 3.998 0 1 HHAF Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)CC(=O)NC1C2CC3CC(C2)CC1C3 103269492 TUHIBRVVRLEHKK-KLQNBHERSA-N 424.994 3.646 0 1 HHAF CCCCc1ccc(/C=C/C(=O)Nc2cccc3c(=O)cc(-c4nn[nH]n4)oc23)cc1 100692531 LSWRNJJFSREPHH-OUKQBFOZSA-N 415.453 3.968 0 1 HHAF COc1ccc(Cc2nnc3sc(Cc4c[nH]c5ccccc45)nn23)cc1OC 28712904 RFCGWANELOGPES-UHFFFAOYSA-N 405.483 3.866 0 1 HHAF O=C(O)COCCCC[S@](=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28871597 DHLHHBIFJDQXLJ-GDLZYMKVSA-N 410.495 3.800 0 1 HHAF Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 61923100 ZOEXYEMQSFTACS-VJBWXMMDSA-N 408.546 3.920 0 3 HHAF CCc1ccc(Cc2ccc(C(=O)N/C=C\CCCC(=O)NCC(=O)OC)cc2)cc1 45496641 AMMFLZBQUHZMMG-SOFYXZRVSA-N 422.525 3.543 0 1 HHAF COc1cc([C@@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O 84652752 NIKHXVNRHXCTOE-OAHLLOKOSA-N 418.559 3.784 0 1 HHAF N[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)CC[C@@H]1O 140136459 DEIMIMRYYMEUNQ-GIWSNZPPSA-N 424.451 3.630 0 1 HHAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@]2(C)c3cc4occc4c(C)c3CC[C@@]2(O)C1(C)C 238743788 NSAZUFNXZWNEIG-LUGTWXOSSA-N 414.498 3.970 0 1 HHAF O=C(c1ccc(F)cc1)c1cc(F)ccc1/C=C\OCCN1CCC[C@@H](C(=O)O)C1 96923616 VFZCBBPPTMMMLW-ZVBPTUHVSA-N 415.436 3.980 0 1 HHAF COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2n1 587144169 ISISESHISKYHDV-UHFFFAOYSA-N 405.385 3.790 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587203022 MOWRDDRFUFUSMX-NSHDSACASA-N 409.229 3.707 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC1OCCO1 587618563 UTSDTYKTTSBORD-QPPBQGQZSA-N 420.417 3.847 0 1 HHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587049145 PBDKRYPNQOVLLV-UHFFFAOYSA-N 420.922 3.728 0 1 HHAF CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434961 ANBPACOZSLQXCX-HOYKHHGWSA-N 403.434 3.535 0 1 HHAF COc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1F 586946906 VJKZUPFZGYRHTI-UHFFFAOYSA-N 423.516 3.979 0 1 HHAF COCOc1cccc([C@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587435143 DDHXBOKPSIVXDV-DVECYGJZSA-N 403.434 3.764 0 1 HHAF O=C(CCc1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024304 UDHYKLJDXHAWOC-UHFFFAOYSA-N 420.285 3.750 0 1 HHAF COC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1OC 587123119 GSCBMPUGZPXJDV-PELKAZGASA-N 409.368 3.529 0 1 HHAF FC(F)(F)c1nc(Cl)[nH]c2nc(CSc3nc(-c4cccnc4)no3)nc1-2 586966491 FPIQWETWAZOUKZ-UHFFFAOYSA-N 413.772 3.714 0 1 HHAF CC(C)(SCC(=O)O)c1nc2c(Br)cnc(Br)c2[nH]1 586960661 XJTYNZGUZSGPAC-UHFFFAOYSA-N 409.103 3.536 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)c1OCC(=O)O)CC2=O 587476304 BDKOFKHZOAERBQ-IBGZPJMESA-N 400.427 3.913 0 1 HHAF Cc1nc2ccccn2c(=O)c1CCN1CCN(c2cccc3sccc23)CC1 1772615719 UOXWVJAPLQMAAN-UHFFFAOYSA-N 404.539 3.582 0 1 HHAF CCCCCn1cc(C(=O)NCCc2ccc3c(c2)OCO3)c(=O)c2ccccc21 13678321 UNOAGRCCRNHSLP-UHFFFAOYSA-N 406.482 3.893 0 1 HHAF COc1ccccc1N1CCN(CCOC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 13802827 VYHAWZMLDHZXJK-UHFFFAOYSA-N 413.562 3.512 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1 169707267 NMYDKQHDBZVGMF-SFHVURJKSA-N 418.497 3.575 0 1 HHAF Cc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711671 MJPHSEOLHCYUIM-UHFFFAOYSA-N 415.476 3.777 0 1 HHAF CCn1c([C@](O)(c2ccccc2)c2ncccc2F)nc2ccc(CCCO)cc21 1857602909 XPCJBGYYJHUGSC-DEOSSOPVSA-N 405.473 3.799 0 1 HHAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CC(C)(C)O2 756284 YKDIVEPKOQWENU-UNMCSNQZSA-N 424.541 3.838 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356302636 JYZAMTAOORLKMR-CVEARBPZSA-N 401.482 3.764 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049299 RCVMNZPMAHFCQI-UWSIMGETSA-N 401.510 3.998 0 1 HHAF CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC(C)C)cc1)C2 101283314 UYKMJJNZWQGCII-DBVUQKKJSA-N 408.564 3.643 0 1 HHAF CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 101444540 XKJCSUZLEZLYSO-GASCZTMLSA-N 409.552 3.710 0 1 HHAF O=C1CCN(C[C@H]2c3ccoc3CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 52594442 AJKUPPVEURAWOP-SFHVURJKSA-N 407.297 3.530 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]21C 26394215 ZMAIFLOHRXCDQS-PDQZLYSZSA-N 418.622 3.959 0 1 HHAF CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 35259620 GPVBQLNDQYZKGQ-UHFFFAOYSA-N 411.527 3.634 0 1 HHAF CC(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 213417103 SLWFEUITEJIEHH-PKOBYXMFSA-N 404.551 3.546 0 1 HHAF Cc1nsc(-c2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)nn2)n1 38153791 VWTKXWJLWJUWAZ-UHFFFAOYSA-N 406.437 3.649 0 1 HHAF COc1ccccc1CNc1nc(NC[C@@H]2CCCO2)nc2cc(OC)c(OC)cc12 82127135 SFKIMEVKCRPWRV-INIZCTEOSA-N 424.501 3.859 0 1 HHAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 49808476 IAHJXCYPBFQZPJ-XZOQPEGZSA-N 414.454 3.665 0 1 HHAF CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C 137499845 BHFTXOUZXOEGLX-NSHDSACASA-N 418.954 3.626 0 1 HHAF COc1cc(-c2cn([C@@H]3CCC[C@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 84619036 UXTJPZLJPAQZEA-TZIWHRDSSA-N 422.533 3.704 0 1 HHAF COc1cc(F)ccc1OCCNC[C@H](O)COc1ccc2c(c1)[nH]c1ccccc12 96939563 FUWWRDWVJKDMRV-KRWDZBQOSA-N 424.472 3.877 0 1 HHAF O=C1COc2ccc(NC(=O)N[C@@H]3CCOc4cc(OC(F)(F)F)ccc43)cc2N1 143459858 YFEDWKJGADRJRE-CYBMUJFWSA-N 423.347 3.561 0 1 HHAF CN(CC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccccc1)C(=O)O 95535243 HHHLPTSFIXIMHL-XMMPIXPASA-N 415.489 3.970 0 1 HHAF COc1cc(=O)oc2c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(O)cc(C)c12 33921661 SSGXAFNGBRRLQM-UHFFFAOYSA-N 410.378 3.612 0 1 HHAF biogenic,in-vitro COc1cc2c3c(c1)O[C@](C)(c1nnn(-c4cccc5ncccc45)c1C)[C@@H](C2)C3=O 587434769 CDBXAQVSBKDUBX-XDHUDOTRSA-N 412.449 3.795 0 1 HHAF COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1OCC(=O)NC(C)C 587225148 RGWKWHLHHFPHHS-UHFFFAOYSA-N 409.273 3.844 0 1 HHAF COc1cc(C)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587598309 XIRCEQLBWQZBKN-MBSDFSHPSA-N 403.390 3.518 0 1 HHAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc(F)cnc2[nH]1 587108093 PGMRTFVKWVVHKL-ZDUSSCGKSA-N 414.384 3.642 0 1 HHAF COC(=O)c1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586921085 CBKFZVAZDXCDDR-UHFFFAOYSA-N 406.463 3.990 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587808635 OUPLKEIZYHSBEU-PEECDGGASA-N 404.279 3.831 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cn(C4CCCC4)nc3N)n2)cc1 587924461 ZLQSYKQTUIXMKD-UHFFFAOYSA-N 403.533 3.742 0 1 HHAF O=C(O)c1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587171117 YZWVABZICWIBOC-UHFFFAOYSA-N 417.443 3.930 0 1 HHAF COc1ccccc1Oc1c(Cl)cccc1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 587942407 XYNWUBKWGBDTIH-UHFFFAOYSA-N 411.797 3.855 0 1 HHAF C[C@@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613615 OEHKFMFQCLFLTR-GCJKJVERSA-N 406.463 3.925 0 1 HHAF CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NC[C@@H]4CCCO4)C3)c(C)o2)cc1 5056027 VORQPFSVWKYVRF-SFTDATJTSA-N 411.546 3.720 0 1 HHAF CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)c1C 13636716 NZGMCNNTJNEOHA-UHFFFAOYSA-N 406.845 3.809 0 3 HHAF O=c1[nH]c2ccccc2n1C1CCN(c2cc(O)n(-c3ccc(F)cc3)c2O)CC1 169688007 AMUWOOPHNHIBTB-UHFFFAOYSA-N 408.433 3.512 0 1 HHAF CCN(CC)CCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O 5807607 UIVQCVUGAFSLNG-APDHKMKFSA-N 412.574 3.858 0 1 HHAF CC1=C[C@@]2(CC1)[C@@H](NC(=O)C(C)(C)N1C(=O)CC[C@H]1C(=O)O)[C@@H](C(C)C)CC[C@H]2C 13378655 CIYFWEZTKZBJJG-VIDMKCHDSA-N 418.578 3.754 0 1 HHAF biogenic CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12 13683958 AIRPNQJNJIBMOF-UHFFFAOYSA-N 424.497 3.784 0 1 HHAF COc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1 13759346 NCRXJBDPIYXLQR-UHFFFAOYSA-N 405.608 3.688 0 1 HHAF O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)NC1CC1 28131759 LRBNFWWCCPYNIY-UHFFFAOYSA-N 403.467 3.973 0 1 HHAF COc1ccc2c(COc3cccc(I)c3)cc(=O)oc2c1 28855708 FCPMYKLZTAAPHF-UHFFFAOYSA-N 408.191 3.985 0 1 HHAF O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)Cc1ccccc1 29568377 SZISKWJASZOXHF-YUEVXQQWSA-N 415.533 3.614 0 1 HHAF CCN(CC)CCCn1c(Cn2nc3ccccc3n2)nc2cc(C(C)=O)ccc21 34083681 ZWWLDRLZISFRSX-UHFFFAOYSA-N 404.518 3.764 0 1 HHAF NCCCCCNc1nc(NCCc2ccc(O)cc2)nc(-c2cccc(F)c2)n1 45372464 LITAUKSSPWVCRT-UHFFFAOYSA-N 410.497 3.579 0 1 HHAF COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC(C)=O 72107787 PCRSJJPGEUKZHF-QGAUHXJISA-N 421.559 3.729 0 1 HHAF C[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82206960 STWHKAMELPSXME-INIZCTEOSA-N 406.530 3.874 0 1 HHAF Cc1c(Cc2ccc(=O)n(Cc3ccccc3)n2)c2cc(Cl)ccc2n1CC(=O)O 95558387 MMEOGZULTNUSJS-UHFFFAOYSA-N 421.884 3.884 0 1 HHAF COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)cs2)c1 95755319 BUBHABCAZHACSD-UHFFFAOYSA-N 423.494 3.989 0 1 HHAF O=C(c1cc(NCc2nccs2)c(O)c(NCc2nccs2)c1)N1CCCC1 96908148 ZLGROEAQVVFRRK-UHFFFAOYSA-N 415.544 3.765 0 1 HHAF O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@](O)(c1ccccc1)C1CCCCC1 101141707 XIEIWOYKIDQUIF-WSKLTFMVSA-N 404.554 3.701 0 1 HHAF NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(C(F)(F)F)ccc1C(F)(F)F 143092456 MOMYBDKTKLWNMV-UHFFFAOYSA-N 415.297 3.857 0 1 HHAF CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@H]3[C@@H](C)CC[C@H]3[C@H](C)[C@]12O 143162684 QRUZTMJNZQJLOO-FOAZOSRGSA-N 416.558 3.990 0 1 HHAF NC1=N[C@@](c2cc(NCc3cc(Br)co3)ccc2F)(C(F)F)COC1 145461897 CDLGKJBMNRHHIV-INIZCTEOSA-N 418.213 3.641 0 1 HHAF O=S(=O)(Cc1nc2ccnc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951248 RWZIGEGMILYNQH-UHFFFAOYSA-N 405.911 3.544 0 1 HHAF O=C1C[C@H](Cc2nc3cccc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 587004414 UPVDEOQLZDZPEG-VIFPVBQESA-N 401.216 3.659 0 1 HHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cs1 587013910 DUNZXZUUKXKPKD-UHFFFAOYSA-N 402.476 3.872 0 1 HHAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)n2)cc1 587113447 SLSNDRAWGCPCEF-UHFFFAOYSA-N 414.178 3.985 0 1 HHAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C)c5[nH]4)nc3n2)cn1 587130708 OMUMQOSSDIEAKB-UHFFFAOYSA-N 422.443 3.915 0 1 HHAF CN[C@H](c1cccnc1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587225808 XXMQWRHIAFSFTG-GOSISDBHSA-N 405.433 3.936 0 1 HHAF CNC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341752 YHOOQJWUWRQBFG-ISKFKSNPSA-N 405.425 3.922 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577587 SZGKXAOEUOKUOX-SWDVRCMSSA-N 419.433 3.670 0 1 HHAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611993 SUSZFBYEPQKELP-RDPSFJRHSA-N 416.385 3.919 0 1 HHAF O=C(c1ccc2c(c1)OCCO2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660708 RRQBLULAPVNTKA-UHFFFAOYSA-N 402.381 3.662 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587820578 APWBUFKLRNMJOT-FKIZINRSSA-N 420.278 3.718 0 1 HHAF NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1ccccc1Cl 1857569062 ZSHPWDDCPZJPMP-UHFFFAOYSA-N 416.886 3.961 0 1 HHAF COc1ccc(-c2nn3c(COc4ccnc5cc(OC)ccc45)nnc3s2)cc1 1857768565 OBRMSYAFKPHWDX-UHFFFAOYSA-N 419.466 3.997 0 1 HHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@H]3CC[C@H]2[C@H](C)N(C)C)C1 2356775143 IBSSTHUKHGWWLF-ICALHQOISA-N 402.623 3.993 0 1 HHAF COc1ccc(N2C(=O)C(Nc3ccc4c(c3)OCO4)=C[C@H]2c2cccnc2)cc1 211058700 CKBHXKAJHVFZQM-FQEVSTJZSA-N 401.422 3.903 0 3 HHAF Cc1ccc([C@H]2C=C(c3ccc(I)cc3)N=C3NC=NN32)cc1 2916269 NHQIOQWPXVSPEB-QGZVFWFLSA-N 414.250 3.900 0 1 HHAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC 4207582 LURJCMCGLLCJBG-QUCCMNQESA-N 402.878 3.593 0 1 HHAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)c3ccc4c(c3)OCCO4)[C@H]2C1 26144536 KVEUUAKBUZQLMT-CCJCIQHYSA-N 414.498 3.636 0 1 HHAF COc1ccc(C2=NN(C3Cc4ccccc4C3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC 26567306 CGAFBDBSTQEQKJ-NHCUHLMSSA-N 402.494 4.000 0 1 HHAF CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)nc2)N=C(c2ccccc2)c2ccccc21 27429107 NGKCROPRWPNLFE-HXUWFJFHSA-N 419.872 3.697 0 1 HHAF CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cc(F)ccc1OC[C@H]2CCN 68248852 KFXNELORCIYYJO-ODXCJYRJSA-N 421.444 3.571 0 1 HHAF CCCCNC(=O)c1cnc(N[C@H](C)CC)nc1-c1cc(OC)c(OC)c(OC)c1 82143507 KIIXQZMGDMYYNF-CQSZACIVSA-N 416.522 3.910 0 1 HHAF CN(C)CCOc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1 82156911 INPMKJOPCCGMEJ-UHFFFAOYSA-N 423.904 3.976 0 1 HHAF COc1cc(-c2cn([C@H]3CCC[C@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 84619038 UXTJPZLJPAQZEA-PZJWPPBQSA-N 422.533 3.704 0 1 HHAF O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 95603754 NSGZVCKDNQQOKI-JBRSBNLGSA-N 418.537 3.512 0 1 HHAF C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(Cl)cc4)nc32)c1 96933663 NPYHVKHWRDSLAV-UHFFFAOYSA-N 418.844 3.697 0 1 HHAF NC(=O)c1ccc2c(C[C@H](O)CO)cn(-c3ccc(Oc4ccc(F)cc4)cc3)c2c1 146666625 QRPVEZFRLWFLDQ-IBGZPJMESA-N 420.440 3.557 0 1 HHAF c1ccc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)nn3)nc1n2C1CCCC1 169706758 APKPENVZICKJOY-UHFFFAOYSA-N 414.517 3.643 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2 199682165 RDDVYKBDIYAHDT-XZOQPEGZSA-N 400.588 3.548 0 1 HHAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)C(=O)O1 238745040 MBAXCJZDNOCWCW-NTJSBTHUSA-N 408.535 3.998 0 1 HHAF Cc1nn(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1Br 586979463 ZZDULZJQXCXMGK-UHFFFAOYSA-N 409.597 3.601 0 1 HHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587081387 ZZCWNRKPCCXKKU-GOSISDBHSA-N 409.921 3.772 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(F)(F)F 587093007 QARQRKMPEQSROH-LJQANCHMSA-N 423.391 3.521 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCCO3 587180668 JKRITYAHOZUGRO-VIFPVBQESA-N 424.242 3.773 0 1 HHAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(Br)cnc(Cl)c3[nH]1)C2 587247232 NBVCHQGBGVDTAG-QGZVFWFLSA-N 407.699 3.725 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(OC(C)=O)ccc1Br)[C@@H](C2)C3=O 587413377 NKYJQQXEVUEDRU-IFXJQAMLSA-N 403.228 3.872 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCN1CCOCC1)CC2=O 587474551 IGGUWKPKVFQLAB-HSZRJFAPSA-N 411.498 3.762 0 1 HHAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3c(C(=O)O)cccc23)n1 587639062 SUTULTQOEWJOSQ-UHFFFAOYSA-N 410.817 3.944 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 587771658 WJZKTXGDMKMRHC-WLRWDXFRSA-N 409.299 3.766 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587776808 DRJCJWFMJOWRCS-ZRNGKTOUSA-N 421.266 3.501 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc3nc(O)oc3c2)N1 963202406 ZHKROHXFNQJSEO-XHDPSFHLSA-N 412.751 3.894 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(-c2cnn(C)c2)cc2ccccn12 963613272 UVLUYYQHEOVOMZ-WNSKOXEYSA-N 402.498 3.981 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2[C@@H](OC(C)=O)C[C@H]2C(=O)OC[C@H]21 1772571895 IULFWSJYZWKMIN-IJDOMABBSA-N 420.546 3.903 0 1 HHAF O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1 1857570625 IJUJYKVTBUESOE-UHFFFAOYSA-N 414.310 3.778 0 1 HHAF CC[C@@H]1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(N)=O)cn21 1857764419 RRQFXOLDQQBKFO-QGZVFWFLSA-N 404.466 3.709 0 1 HHAF COc1ccc(CCNC(=O)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 1857774153 IAUASZVLYDTBBR-UHFFFAOYSA-N 404.466 3.956 0 1 HHAF CCCCCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F 3020926 CCFMUKHZGPJDJN-UHFFFAOYSA-N 404.507 3.887 0 3 HHAF O=C([C@@H]1CCC(=O)N(C2CCCCCC2)C1)N1CCN(c2ccccc2Cl)CC1 12435655 IXAMIDHXKVHKHZ-GOSISDBHSA-N 417.981 3.950 0 3 HHAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)NC(=O)N1CCCC(=O)O 13125849 PXSNBQUUNGATMF-NRFANRHFSA-N 408.454 3.635 0 3 HHAF NC(=O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 13656452 VZBAYFTZPWNNBC-QFBILLFUSA-N 407.388 3.614 0 3 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 770547 YTQIWACAWZKGIH-QRKMNUTDSA-N 414.527 3.658 0 1 HHAF CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 2487715 PRPWXCKFVBUPJT-UYAOXDASSA-N 402.535 3.846 0 1 HHAF CCCN(CCCCN1C[C@H]2CCC[C@@H]2C1=O)[C@@H]1COc2cccc(OC)c2C1 12356327 ZSCQNYLCSNCYIW-AABGKKOBSA-N 400.563 3.749 0 1 HHAF COc1ccc(C2=NN(C3Cc4ccccc4C3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC 26567302 CGAFBDBSTQEQKJ-SFTDATJTSA-N 402.494 4.000 0 1 HHAF CNC(=O)/C=C(\c1ccc(C)cc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 27439251 ZCBORQFKRDJOPV-QGOAFFKASA-N 401.445 3.604 0 1 HHAF O=C(O)CCN1CCN(CCO[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 29310865 UVDWGJKQLARNNE-QFIPXVFZSA-N 402.922 3.538 0 1 HHAF C[C@H](C(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40575522 SYAGMHJYAAEYAK-VKRGLBNMSA-N 403.563 3.763 0 1 HHAF CCCCCCNC(=O)Oc1ccc(C(=O)OC)cc1I 42966450 VQDOLPNXSBOOLP-UHFFFAOYSA-N 405.232 3.747 0 1 HHAF CCOC(=O)C1CCN(Cn2nc(Cc3ccc(SC)cc3)oc2=S)CC1 64448680 UIDBWANXGQXSFH-UHFFFAOYSA-N 407.561 3.751 0 1 HHAF COc1ccc([C@H]2CC(c3ccsc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459624 MLTLRTNFYGNEJM-HXUWFJFHSA-N 413.524 3.760 0 1 HHAF CC(C)(C)c1ccc(CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1 73222566 JVJNSBIIKNKLBL-UHFFFAOYSA-N 418.534 3.843 0 1 HHAF CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3ccncn3)CC2)c1 84603231 FHCSQINCPBQPOE-UHFFFAOYSA-N 402.502 3.574 0 1 HHAF C[C@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1 84728813 DFUOBKYLMRGDDC-HNNXBMFYSA-N 420.538 3.795 0 1 HHAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3)cc2)cc1 100095563 BSEVHJLUQCGGGP-UBRQYEGLSA-N 404.535 3.791 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 115454804 UHBPTWDWEKLBAG-OAGGEKHMSA-N 417.941 3.746 0 1 HHAF O=C(N[C@H]1COc2ncccc21)[C@@H](CN1CCCC1)c1ccc(Cl)cc1Cl 146596448 PKHTYKLFJAEFOW-WMZOPIPTSA-N 406.313 3.818 0 1 HHAF CS(=O)(=O)N(CCc1ccccc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 149346606 PXCYCSUGDOEWNV-HXUWFJFHSA-N 422.550 3.660 0 1 HHAF CCCCCCOc1ccc(NC(=O)[C@@H]2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 169727271 RVPUQYARQQXXNQ-LEWJYISDSA-N 408.498 3.511 0 1 HHAF Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1nc([C@H](C)O)[nH]c1C 219003447 ZNMZOFUHUFRYTB-INIZCTEOSA-N 418.472 3.939 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccnc(Br)c2[nH]1 586973825 RHRNPNLJJQMQBR-CQSZACIVSA-N 405.321 3.831 0 1 HHAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(O)nc(O)nc4[nH]3)c(Cl)cc12 587078167 JOBVPZPUHWVUCZ-QMMMGPOBSA-N 416.821 3.616 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092070 AOBJFMYBNHSETC-UHFFFAOYSA-N 416.450 3.530 0 1 HHAF Oc1ncnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 587152927 IMIBWWXBJUBWJJ-UHFFFAOYSA-N 419.445 3.738 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)O2 587375505 DGGSKYLWMKUSEI-BTDLBPIBSA-N 420.259 3.898 0 1 HHAF O=C(O)CCCC1(CCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600488 BEAQUTWALYICID-LJQANCHMSA-N 414.410 3.602 0 1 HHAF COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587721663 PYDILJSJZVAQMN-XLFHBGCDSA-N 406.242 3.926 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2C(CCCC(=O)O)(CCCC(=O)O)N1 587825242 BRZYZXGBMHTCAW-LLVKDONJSA-N 416.287 3.828 0 1 HHAF CCCCOc1c(NCCCCCNc2cc(OC)cc3cccnc23)c(=O)c1=O 653687670 WGGIZKMCZWOGFM-UHFFFAOYSA-N 411.502 3.713 0 1 HHAF COC(=O)c1c(N)sc2c1CCC[C@@]21c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618001 CSLLQRCCJWWISX-AMXDTQDGSA-N 416.543 3.590 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962672897 UFUBCPOGWVIHIF-VWEGEPFXSA-N 415.537 3.824 0 1 HHAF Cc1cc(F)cc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)c1 1857600702 IAOADHJGILQSTE-UHFFFAOYSA-N 415.472 3.950 0 1 HHAF OCCN(CCO)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 1857603831 PYPRDWVJNSDRQC-UHFFFAOYSA-N 412.477 3.985 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356318184 XJQRMHAHQDZZBM-SBHAEUEKSA-N 413.568 3.701 0 1 HHAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 767566 DFRUECFLRCCPCX-IEBWSBKVSA-N 404.869 3.706 0 1 HHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NCc1ccc(F)cc1)C2 4222644 XYRGYSNAQUQDPX-MAUKXSAKSA-N 413.489 3.963 0 1 HHAF biogenic CN(Cc1ccc([S@](=O)C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780507 CVMXFRQGRMMRMB-GUNSETOZSA-N 424.444 3.709 0 1 HHAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NCc1cccnc1 25430120 LZXZTNBVTHFMNC-RBUKOAKNSA-N 410.518 3.677 0 1 HHAF biogenic COC(=O)c1cccc(-c2nnc(C[C@@H](O)Cc3ccc(-c4ccccc4)cc3)o2)n1 40881000 DENDYBHSMCFTHK-IBGZPJMESA-N 415.449 3.731 0 1 HHAF CSc1ncc2c(n1)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 45284034 OKFDWUZDYAMRLJ-CQSZACIVSA-N 413.518 3.678 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cc(F)ccc54)ccc31)[C@H]1CC[C@H](C2)N1 100632581 NTHDPRNZKGYSQU-CRAIPNDOSA-N 409.486 3.858 0 1 HHAF COc1ccc(-n2c(=O)c3nc(S)[nH]c3n(-c3ccc(OC)cc3)c2=S)cc1 102953252 YPDJENYJTBLSFD-UHFFFAOYSA-N 412.496 3.540 0 1 HHAF O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@H]4CC2C[C@@H](C4)C3)c1=O 143918189 OZNDXFHVAUDQDB-QLHRYKFGSA-N 419.525 3.841 0 1 HHAF CSc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12 147344152 CFLKOHJOWJGVMH-UHFFFAOYSA-N 407.587 3.621 0 1 HHAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(OC)c3)ncc12 210754544 QOHLXDVWRQGZGL-SECBINFHSA-N 418.841 3.681 0 1 HHAF COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3ccccc3C)C2=O)cc1 218894987 VNVOIFTUZUGEIL-UHFFFAOYSA-N 415.493 3.613 0 1 HHAF O=S(=O)(/C=C\c1nc2cccc(I)c2[nH]1)c1ccccc1 586925117 VUQFVNAJQLPWGC-KTKRTIGZSA-N 410.236 3.612 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 586927699 WVDGQUQUNONZOM-BQYQJAHWSA-N 421.272 3.557 0 1 HHAF O=S(=O)(Cc1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950526 GQQYJRLZXCXBOS-UHFFFAOYSA-N 423.901 3.683 0 1 HHAF Cc1cc(Br)cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 587023730 GARZKJNWLBRAIB-UHFFFAOYSA-N 424.324 4.423 0 1 HHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 587151323 YMRYMDYKQPWDKD-UHFFFAOYSA-N 409.440 3.741 0 1 HHAF NC(=O)C12CC3C[C@@H](C1)C1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](C3)C2 587335808 MGSFPTAYSXGZOA-ZTRJFOIMSA-N 421.468 3.941 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587358768 XHWZGGNWRVEGOC-NFBKMPQASA-N 408.381 3.662 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 587388245 ZBQLHSDBXQXHCC-JXFKEZNVSA-N 411.502 3.690 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)O2 587396611 USDOGDJLXLMQCX-JOCHJYFZSA-N 403.482 3.861 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1I)[C@@H](C2)C3=O 587428059 MXDFDBPFEDRWMR-UGSOOPFHSA-N 422.218 3.797 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(I)c1)[C@@H](C2)C3=O 587429426 VCQOJYUKVLWSLY-KSSFIOAISA-N 406.219 3.963 0 1 HHAF COc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441266 FVYJPZNQXUEPOD-NTKDMRAZSA-N 424.449 3.561 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(OCC4OCCO4)cc1)(C1CCC1)[C@@H](C2)C3=O 587455754 QHGNNYSHGFJIHL-CPJSRVTESA-N 422.477 3.890 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1O 587595050 OEYRBXFTFFRJJA-URXFXBBRSA-N 419.433 3.637 0 1 HHAF C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587772081 UZQVTCUMNSSKKE-MTJIALIYSA-N 418.310 3.600 0 1 HHAF C=C1NC(C)=Cn2nc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc21 587796085 PAGXJIMFXUHYJP-DGIBIBHMSA-N 403.299 3.975 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc4c(cc32)OCO4)N1 587836778 BNTNQFMUHCWNPR-OVWNDWIMSA-N 406.251 3.877 0 1 HHAF CC(C)=CCc1c(C)cc(O)c2c1[C@@H](O)c1c3c(cc(O)c1C2=O)O[C@@H](C(C)(C)O)C3 653720487 BAUQUAVPBBPLJB-WZONZLPQSA-N 424.493 3.615 0 1 HHAF COc1ccc(Cc2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1 653729312 IKRMAVZTYCCOJH-UHFFFAOYSA-N 420.494 3.620 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(C(C(=O)O)=CN(C)c3c(C)cccc31)N(C)[C@H](C)C2 962618832 DXHLMSAOCBGWFL-OYLFLEFRSA-N 408.498 3.551 0 1 HHAF COc1cccc2c1CCC[C@@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962663530 JYQLIRUWIYSDPR-RPBOFIJWSA-N 402.494 3.922 0 1 HHAF Cn1cc([C@]2(CC(=O)C(F)(F)F)c3ccsc3CCN2Cc2ccco2)cn1 962706947 HCGBXWRNNTWVAF-GOSISDBHSA-N 409.433 3.898 0 1 HHAF COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCCCCC2)cc1 1857650886 GZSZCCXEYKIQML-UHFFFAOYSA-N 404.488 3.575 0 1 HHAF COc1cccc2c(O)cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)nc12 1857653158 FBFKJAVMNOHJDT-UHFFFAOYSA-N 419.525 3.981 0 1 HHAF CC[C@H]1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(N)=O)cn21 1857764418 RRQFXOLDQQBKFO-KRWDZBQOSA-N 404.466 3.709 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CC[C@H](O)[C@](C)(O)CO 2356318621 HJHZTWIWIGULGO-LADGPHEKSA-N 416.514 3.729 0 1 HHAF CC(=CC=CC=C[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)C2(C)C)[C@@H]1[C@H](C)C(=O)[C@](C)(O)[C@@H]1C 2356441000 ZWOJZMXXTIYXQZ-LBQHPBBTSA-N 414.542 3.814 0 1 HHAF CCOc1cc2nc(=S)n(CCC(=O)NCc3ccco3)c(O)c2cc1OCC 253496801 HCLHINNLIFURJY-UHFFFAOYSA-N 417.487 3.568 0 3 HHAF CCOc1ccc(-n2cc(C(=O)N[C@@H](C)CC)c3cc(OC)c(OC)cc3c2=O)cc1 3660449 XMZPEEXUQUQQTO-HNNXBMFYSA-N 424.497 3.935 0 1 HHAF Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc12 6913486 RURPSFQILDQDDF-UHFFFAOYSA-N 407.489 3.783 0 1 HHAF FC(F)(F)c1cccc(N2CCN(CCCCN3C[C@H]4CCCCN4C3)CC2)c1 19332344 FNHAUTZZAKUROD-OAQYLSRUSA-N 410.528 3.735 0 1 HHAF CC(C)n1cnc2c(NCCNc3ccccc3)nc(N3CCCC[C@H]3CCO)nc21 26472001 QVRZMAQQVHGQMR-IBGZPJMESA-N 423.565 3.673 0 1 HHAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 26579596 FHWDBURJDRCBLO-BBPYZIJHSA-N 416.558 3.876 0 1 HHAF COc1ccc2c(n1)CC[C@@H](OC)[C@]2(C)NCC1CCN(Cc2ccccc2)CC1 26983339 GEAUSXVZTKJMQR-ILBGXUMGSA-N 409.574 3.768 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1OCc1ccc(C(=O)O)cc1 27868037 AWFBLPDWORGDCI-OAQYLSRUSA-N 410.470 3.786 0 1 HHAF Nc1nc(N)c2c(n1)N(c1cccc(Cl)c1)c1ccc(Cl)cc1S2(=O)=O 40408009 LJTRLMWYUAKVBP-UHFFFAOYSA-N 408.270 3.564 0 1 HHAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@@]1(O)c1ccccc1)CC2 40762619 IGMRUXJGIQSJAC-JCYRPKCISA-N 422.544 3.952 0 1 HHAF CCCN(Cc1ccccc1C)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40915966 IIICKFCCDCBUPC-JOCHJYFZSA-N 400.473 3.665 0 1 HHAF CCN(C)c1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc(F)cc2)n1 82141700 NUNSMHHJBAVXSL-UHFFFAOYSA-N 408.477 3.720 0 1 HHAF Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21 95558350 RGRMUGALVAGCQV-MRXNPFEDSA-N 421.932 3.517 0 1 HHAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccc(F)c(F)c2O1 143428128 ZXEVMLXUQORYJA-CQSZACIVSA-N 403.385 3.720 0 1 HHAF COc1cnc2c(NCc3nnc4ccc(-c5cc(C)cs5)nn34)ccnc2c1 166067049 FJSBYCFNTJKGAV-UHFFFAOYSA-N 403.471 3.725 0 1 HHAF C=CC1=CC[C@@H]2[C@@H]3[C@@H](C[C@@H]4[C@@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@]42C)OC(=O)[C@@H]13 238777672 FJWOPFBTCFJPQR-JWCLYYDRSA-N 416.514 3.598 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1 256090847 KIQXRQVVYTYYAZ-CSTCBTJPSA-N 410.457 3.816 0 1 HHAF endogenous,world CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@@H]2C3(F)F)cc1F 261190783 ZBBLWDKBBLAYBC-WMZOPIPTSA-N 417.449 3.597 0 1 HHAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1C 586946622 BJRGJVYQSDRFHO-UHFFFAOYSA-N 420.494 3.746 0 1 HHAF Cc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br 587024087 NKTFHBWRNTWUAE-UHFFFAOYSA-N 424.324 4.423 0 1 HHAF O=C1C[C@H](c2nc3cncc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587147846 CBQOVOPAADDMCG-JTQLQIEISA-N 407.218 3.515 0 1 HHAF Cc1cccc2c1OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612508 VKPXJJPRESMGJP-CYFREDJKSA-N 416.385 3.919 0 1 HHAF CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623183 NHDSCCOAZUZXIZ-UHFFFAOYSA-N 402.252 3.867 0 1 HHAF COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587784761 IZBQLNUPXCJDFH-GFCCVEGCSA-N 421.906 3.759 0 1 HHAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587952082 LTQXYFAINZQXAY-FTRWYGJKSA-N 421.563 3.630 0 1 HHAF Oc1ccc2c(c1)[C@@]1(C=C(N3CCOCC3)Oc3c1ccc1ccccc31)NCC2 963354695 YJRKWDLHIAEFJA-VWLOTQADSA-N 400.478 3.501 0 1 HHAF CN1CCc2cnn(C)c2[C@@]1(c1ccc(C2OCCO2)cc1)c1ccccc1Cl 963956564 YNQVMTCQMAJSAD-HSZRJFAPSA-N 409.917 3.899 0 1 HHAF Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O 1857605086 WYIXTTMUIHBYLF-UHFFFAOYSA-N 407.397 3.735 0 1 HHAF C[C@H]1C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)O)C4)O1 2356402083 YBYHQICXTIWWIY-WLRWDXFRSA-N 422.433 3.740 0 1 HHAF CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 776792 WQCQRBRMTHGJHB-TZIWHRDSSA-N 414.546 3.942 0 1 HHAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 4545981 GLFTVHAVDQJJPP-TYPHKJRUSA-N 412.530 3.817 0 1 HHAF c1ccc(CNc2ccncc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1 28570472 FLCOYJCAHPOTEX-UHFFFAOYSA-N 402.414 3.654 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@](C)(c3ccccc3)C[C@@H]2C1 29415304 CNZZVIOBKWRMHA-DGGJZMOXSA-N 413.949 3.855 0 1 HHAF O=S1(=O)[C@H]2C[C@@H]3O[C@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 36388532 DZSBJQYROJIKMG-FUMNGEBKSA-N 407.894 3.708 0 1 HHAF CC(C)CNC(=O)c1cnc(NCCCn2ccnc2)nc1NCC1CCCCC1 45300428 SBCXCUYNESSRLU-UHFFFAOYSA-N 413.570 3.553 0 1 HHAF O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCOCC1)NCC3 73222760 MWYHJSSIWDLJIQ-UHFFFAOYSA-N 401.459 3.556 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5cccnc45)ccc31)[C@H]1CC[C@H](C2)N1 100632934 XDUOMJSWMCAUDX-CRAIPNDOSA-N 403.507 3.909 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Br)cn2)n1 142123536 MTFZKBSOYZEVMQ-SMDDNHRTSA-N 406.284 3.788 0 1 HHAF CN(C)C(=O)C1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 143327738 MIWFDAWVIRVXSI-OAQYLSRUSA-N 404.432 3.770 0 1 HHAF O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4cc5c(cc4[nH]3)OCO5)n[nH]c2c1 167008159 SOQMDBTUNGYIOO-UHFFFAOYSA-N 413.393 3.793 0 1 HHAF CNC(=O)c1sc2ncnc(Nc3cccnc3O[C@H](C)C(F)(F)F)c2c1C 169708362 XQWPSVHEXMHXCD-SECBINFHSA-N 411.409 3.828 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C 194865234 VDMGYZRQGVMXIO-GSEOLPGOSA-N 418.562 3.613 0 1 HHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586930540 LCIWHUNHCOGMBI-UHFFFAOYSA-N 401.385 3.817 0 1 HHAF CN1CCN(c2ccc3nc(-c4nc(Br)ccc4Cl)[nH]c3c2)CC1 587005736 PSGLUVBMIWQXAR-UHFFFAOYSA-N 406.715 3.793 0 1 HHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587109655 QWBFSONCIJFUMU-UHFFFAOYSA-N 405.376 3.779 0 1 HHAF Cc1cc(Br)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 587127355 QWWKJRGVEGBKIR-UHFFFAOYSA-N 420.210 3.989 0 1 HHAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 587230929 KVRVBNNBOJGRTQ-UHFFFAOYSA-N 408.849 3.847 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C 587238905 HHPSVHLADTWURW-DKHZXNSXSA-N 407.902 3.513 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587454794 YDCHQFQBGPFHBI-FYSMJZIKSA-N 418.401 3.912 0 1 HHAF CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587511046 IOUJUGVMFCWLDB-HSZRJFAPSA-N 417.502 3.747 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cc3c(O)nc(O)nc3nc12 587561519 SOGJZVXWNLVFKR-AKAVXCFLSA-N 407.514 3.773 0 1 HHAF O=C(c1n[nH]c2c1CCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658015 IBBVIVUYGCGNRS-UHFFFAOYSA-N 406.392 3.632 0 1 HHAF COC(=O)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 587767802 BCTHXJSRMRJRQW-QGHHPUGFSA-N 418.266 3.646 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587834317 RLVPUYGHIWEJHM-FJVYXFCJSA-N 408.267 3.504 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587859398 WNJBMCKEIIHTPP-SJYNBTNZSA-N 423.307 3.663 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccco2)on1 587868339 ZUOOZBFGTAEIHZ-UHFFFAOYSA-N 404.304 3.909 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCc3cc(F)c(F)c(F)c32)N1 962979479 SKWDSWQMNSGMIU-BBATYDOGSA-N 403.734 3.824 0 1 HHAF CC1=C[C@]2(N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c2cc(Br)ccc2O1 963527640 PVWSVLIGQWJUPZ-YWZLYKJASA-N 416.271 3.602 0 1 HHAF COc1cccc(-c2cc3c(c(O[C@@H]4CCOC4)c2)OCCN(C(=O)C2CC2)C3)c1 1772577240 DLLHIIWAOQGYME-OAQYLSRUSA-N 409.482 3.661 0 1 HHAF Fc1ccc2c(c1)CC[C@@H](c1nnc(-c3cn(Cc4c(F)cccc4F)nn3)o1)O2 1911576413 DSSBCUWCMRYKAZ-SFHVURJKSA-N 413.359 3.860 0 1 HHAF COc1cc(C(=O)OC[C@H](C)[C@@H]2CC[C@]3(C)C[C@H](O)[C@@]4(C)CC[C@@]23O4)ccc1O 2356619211 XHMSSIXKMBPWCK-QCRMNUPLSA-N 404.503 3.683 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12 29571371 ROBLJKDXALYRTO-SJIDJMGWSA-N 424.578 3.796 0 1 HHAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)Nc1ccsc1 43527021 LMIKPUPDVJANLZ-KAGYGMCKSA-N 410.587 3.638 0 1 HHAF biogenic Cc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)c(F)c1F 72110220 MWOODXQJJURYQI-UHFFFAOYSA-N 409.358 3.950 0 1 HHAF O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F 73196432 GGTCHICZQOKVQQ-UHFFFAOYSA-N 420.535 3.905 0 1 HHAF C[C@@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(F)cc1 73222136 FHBSEAZXOOCQCK-MRXNPFEDSA-N 423.492 3.718 0 1 HHAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCc3cccs3)c2cc1OC 82125527 JGRYBVQRMXJSLP-ZDUSSCGKSA-N 400.504 3.912 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H]2CCC[C@H]1N2Cc1ccc(F)cc1 101480739 KBMHZDMOELXKBL-UIAACRFSSA-N 417.912 3.995 0 1 HHAF COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)c2ccccc2[S@]3=O)cc1 169309878 OVSYCGRHGBIWAK-GDLZYMKVSA-N 406.463 3.704 0 1 HHAF COc1cc([C@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)cc(OC)c1OC 299830885 YOOQATQUFQPOBY-SFHVURJKSA-N 422.485 3.886 0 1 HHAF Brc1cc2[nH]c(C[C@H]3COCCO3)nc2cc1OCc1ccccc1 586911251 WYESJYIPOJZIIB-AWEZNQCLSA-N 403.276 3.862 0 1 HHAF COc1ccc2c(C)c(CCc3nc4cc5nc(O)[nH]c5cc4[nH]3)c(=O)oc2c1C 586919200 WZTGFMIKSNGYRT-UHFFFAOYSA-N 404.426 3.662 0 1 HHAF COC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1OC 587144636 PAQXBCCAUPYDQQ-ZDUSSCGKSA-N 422.254 3.502 0 1 HHAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587256346 GPJFLSDTQUZLKA-SNVBAGLBSA-N 422.245 3.946 0 1 HHAF Oc1ccc(CCCc2cc3c(O)nc(O)nc3nc2CCc2ccc(O)cc2)cc1 587560318 FTNICAJORYEQBL-UHFFFAOYSA-N 417.465 3.808 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](F)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587571243 PUENULFIVYPOAI-HOIFWPIMSA-N 415.417 3.681 0 1 HHAF COc1ccc2c(c1)nc([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C 587574070 AJVDNTMBBFULIE-DENIHFKCSA-N 402.406 3.990 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3ncoc3C)c(=O)c3ccccc23)c(O)c1 587665179 NYWOMCYJFJCCNI-UHFFFAOYSA-N 418.453 3.600 0 1 HHAF C=C(C(=O)O)c1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O 587945536 MUXQHBDYBPTQRB-UHFFFAOYSA-N 407.401 3.583 0 1 HHAF CC(C)(C)OC(=O)N1CCN(c2ccc3ccc(C(=O)NC4CCCC4)cn23)CC1 1772647251 SPCDIOIUESJKLS-UHFFFAOYSA-N 412.534 3.669 0 1 HHAF CCCCC[C@H](O)C=CC=C(CCCC[C@@H](CCC(=O)O)NCC)C[C@@H](O)CO 2356371303 JCSCLTATSIYKRI-FDFHNCONSA-N 413.599 3.557 0 1 HHAF CC(=C[C@H](C)Cc1ccccc1)CCCCC[C@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O 2356397462 NLNJIEVMUWDLAZ-GEQKSPFYSA-N 420.502 3.753 0 1 HHAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61897287 VXNMMJLLQCGWKY-QHCPKHFHSA-N 404.422 3.818 0 3 HHAF C[C@@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61902526 WDZVDVWNJZVVRD-QHCPKHFHSA-N 424.403 3.766 0 3 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC 4153569 CFQIMGCYJGHZIT-QYTDDSRESA-N 410.514 3.700 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCC(C)(C)CO 4310436 CZADVFJUACIYNC-LEWJYISDSA-N 420.550 3.852 0 1 HHAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CCC(Cc2ccccc2)CC1 103536041 WPGYVSYFOIILDV-UHFFFAOYSA-N 400.482 3.723 0 1 HHAF O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 61907287 CTEUQGGTQSWELE-SFHVURJKSA-N 417.465 3.882 0 3 HHAF COc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(C)cc3)C2)ccc1-n1cnc(C)c1 103224819 FHCRHZYJGNVIBN-QFIPXVFZSA-N 418.541 3.892 0 1 HHAF CCc1c(C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1cccc2ccccc12 27189163 UEQPXAXBHHRFKN-UHFFFAOYSA-N 402.450 3.808 0 1 HHAF Cc1ccc(-c2c(CC(=O)N3CCC[C@H]3C(=O)O)c(C)nc(CC(C)C)c2CN)cc1 66157163 FTRFDTDLVOEFEU-QFIPXVFZSA-N 423.557 3.641 0 1 HHAF c1ccc(-n2cc(-c3ccnc(N4CCN(Cc5cccs5)CC4)n3)cn2)cc1 20351531 MQWXKZKIGYRMPV-UHFFFAOYSA-N 402.527 3.713 0 1 HHAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-] 28827432 SKQQHTSKZMDXTL-UHFFFAOYSA-N 402.303 3.649 0 1 HHAF O=S1(=O)NCc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 28383942 VCXLVYDBFSASMP-UEXGIBASSA-N 403.592 3.664 0 1 HHAF COc1cc([C@@H]2Nn3c(nnc3-c3nc(C(C)C)cs3)S2)cc(OC)c1OC 64447675 CPXVGPIZYVVKMO-MRXNPFEDSA-N 419.532 3.899 0 1 HHAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1nc2ccccc2s1 64426471 ZLHFZMQAMFDDFO-DHDCSXOGSA-N 411.464 3.638 0 1 HHAF O=C1c2ccccc2CC[C@H]1CNCCc1ccc(O)cc1I 31392908 MIQRUWUVLIWVAW-HNNXBMFYSA-N 421.278 3.574 0 1 HHAF in-vitro CCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O 72124884 XAFIFBYCSPTLGK-UHFFFAOYSA-N 410.493 3.658 0 1 HHAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 73129784 MALHASCMZSVZKK-UHFFFAOYSA-N 405.479 3.588 0 1 HHAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](COC)CC[C@@H]12 72106573 YMPDPTWXRCSKMJ-GNYGEYGVSA-N 407.576 3.950 0 1 HHAF CCN(CCO)C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73292473 UMGUAEJAYOYUOP-GOSISDBHSA-N 424.328 3.613 0 1 HHAF CN(C)C[C@@H](O)Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 43016409 XNANHPIYZJMJSP-HJGBXLFDSA-N 404.982 3.751 0 1 HHAF CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1cccc3ccccc13)cn2CCN(C)C 45254435 UYYKMNSBARHQDB-UHFFFAOYSA-N 421.522 3.787 0 1 HHAF O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1 146203580 ZRMQOBPQSSPLMP-UHFFFAOYSA-N 400.407 3.680 0 1 HHAF CC1(C)Oc2ccc(-c3ccnc(Cl)c3Cl)cc2[C@@]2(COC(N)=N2)C12COC2 148948515 SEAPOZKSVDOWPZ-FQEVSTJZSA-N 420.296 3.783 0 1 HHAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1cc(Cl)cc(Cl)c1 68576379 GBWPKIACFXMMPA-UHFFFAOYSA-N 403.209 3.692 0 1 HHAF biogenic CCC(CC)C(=O)N=c1c2cnn(-c3ccccc3)c2nc(O)n1-c1ccccc1 299850001 JLJGEOUEWXFKKV-UHFFFAOYSA-N 401.470 3.780 0 1 HHAF COc1ccc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)cc1O 587787163 QJCZCCVIKJOFQR-UHFFFAOYSA-N 423.494 3.861 0 1 HHAF Nc1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1 587656934 MNKJODMGHVAFAE-UHFFFAOYSA-N 411.234 3.932 0 1 HHAF COC(=O)c1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cn1 587032775 BTIOJXCTQXTCMC-UHFFFAOYSA-N 414.487 3.766 0 1 HHAF COc1nccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 587006139 ILPJSDCFJZAWGW-UHFFFAOYSA-N 411.259 3.606 0 1 HHAF CN(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171396 YRANPCBJPZXPJP-UHFFFAOYSA-N 405.348 3.681 0 1 HHAF CCc1nnc2n1C[C@H](C(=O)n1nc(-c3ccccc3C(F)(F)F)cc1OC)CC2 587863626 NRBXMKZVIYBOLJ-GFCCVEGCSA-N 419.407 3.634 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586891294 PPFPURMSVOIAHJ-MGPUTAFESA-N 401.532 3.787 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCc3c(Br)cccc32)N1 963231862 RPVIWRSOAPZYRD-FPOVZHCZSA-N 409.283 3.786 0 1 HHAF CNC(=O)N1C[C@H]2C=C(c3[nH]c4nccc5c4c3CN(C)c3ccc(F)cc3-5)C[C@@H]2C1 1772651666 GHMCSXURQCMKMZ-HUUCEWRRSA-N 417.488 3.993 0 1 HHAF COc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cc1 169699876 GZPYRODCYXXYME-UHFFFAOYSA-N 416.481 3.738 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713457 ZMAIFLOHRXCDQS-WYNYQOBHSA-N 418.622 3.959 0 1 HHAF CCCOc1ccc(-c2cc(OCCN3CCNCC3)c3ccc(OC)cc3n2)cc1 1857630622 CNXZLNYHPLJODW-UHFFFAOYSA-N 421.541 3.983 0 1 HHAF CC1(N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(C)(=O)=O)CCC1 148448241 MCZYVLLRCIGMIR-INIZCTEOSA-N 422.497 3.638 0 1 HHAF CCOc1ccc(-n2cc(C(=O)N3CCCC3)c3cc(OC)c(OC)cc3c2=O)cc1 3660453 VXSXBMHSBSGAHL-UHFFFAOYSA-N 422.481 3.643 0 1 HHAF CC(C)n1ncc2c(=O)n(Cc3ccncc3)c(=N[C@H](C)c3ccc(Cl)cc3)[nH]c21 1911582909 JOTFHRWSLZLGOT-OAHLLOKOSA-N 422.920 3.866 0 1 HHAF Cc1ccccc1N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 4857845 FLHKIMKDQRFLJT-HXUWFJFHSA-N 421.526 3.688 0 3 HHAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCO)[C@H]1c1cccc(Cl)c1Cl 27522578 GCBHFBXKRODTDJ-XOAFGZPJSA-N 400.258 3.777 0 1 HHAF CN(C(=O)C1(c2ccc(F)cc2)CC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 68204193 QSHHVTJCRQGJFN-GOSISDBHSA-N 420.484 3.913 0 1 HHAF CC=Cc1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 2356531242 TWGHXVKHVUGVCO-OCGBXCADSA-N 410.466 3.648 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccccc1C 40392106 BPNXVEYIIRHUPM-UXHICEINSA-N 419.550 3.946 0 1 HHAF Nc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069285 QVSPEIQWDRSPOF-GOSISDBHSA-N 420.538 3.561 0 1 HHAF O=C(NCCN1CCOCC1)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 40936348 RHDUVJQMSNUVQT-UHFFFAOYSA-N 409.313 3.634 0 1 HHAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82153268 KUEHBKZYRPRWHX-UHFFFAOYSA-N 414.525 3.874 0 1 HHAF CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179736 VHBXXWBLUNPIFF-IBGZPJMESA-N 408.525 3.982 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(-c3cccc(F)c3)no2)n1 142076055 SWVNLHJTZWNLJF-IUODEOHRSA-N 412.425 3.820 0 1 HHAF O=C(c1ccccc1)c1ccc2c(c1)nc1s/c(=C\c3ccc(F)cc3)c(=O)n12 473082618 JHXUVFMDDQFPSU-NDENLUEZSA-N 400.434 3.827 0 1 HHAF CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587799593 SPUKVCZEKOKDNS-MJCKAROISA-N 412.299 3.640 0 1 HHAF COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587726082 UFMYONITGPAEDG-DYBLOJMWSA-N 414.221 3.817 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 587873391 YLFNHFFCWXYGKB-OAHLLOKOSA-N 403.454 3.985 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 587767887 KBQAWBQTIKIKLT-FVMDXXJSSA-N 411.271 3.633 0 1 HHAF CC(C)(C)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586946135 HCBQVFXKJIQKIK-QGZVFWFLSA-N 413.543 3.985 0 1 HHAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nncn1C 587408927 JQVHAYNEIGGPMY-JOCHJYFZSA-N 424.526 3.887 0 1 HHAF O=S(=O)(NCCc1nc2cc(F)cc(F)c2[nH]1)c1c(Cl)cccc1Cl 586943369 TVAMMYVXHGJBLE-UHFFFAOYSA-N 406.241 3.669 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 587598450 XTQYSCRIJNEBIR-OFNKIYASSA-N 422.389 3.567 0 1 HHAF COc1cc2c3c(c1)O[C@](/C=C1/SCC(=O)N1C)(c1ccccc1C)[C@@H](C2)C3=O 587454699 ZTLKMTATZMZWEH-UOWZZGQUSA-N 407.491 3.693 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 587739410 GWJWIYLGJLDRKX-MPBGBICISA-N 421.310 3.679 0 1 HHAF COc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436066 MZIHVQYEYNPDIZ-UZUQRXQVSA-N 413.433 3.902 0 1 HHAF COc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1OC 586939967 YMHKOQBQIPLNIU-GOSISDBHSA-N 423.922 3.909 0 1 HHAF COc1ccc(N)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC 587740466 BDOPAOPNGHANGX-OVWNDWIMSA-N 409.299 3.985 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)cc1Br 587869545 MBCMLKDZIVMYDX-UHFFFAOYSA-N 407.243 3.755 0 1 HHAF CC1=C(c2ccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3c2)NNC(=O)C1 587232466 VBMNENQLOLREBE-UHFFFAOYSA-N 413.481 3.868 0 1 HHAF COc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586951520 XBMMHTFWTXNPOP-UHFFFAOYSA-N 400.504 3.504 0 1 HHAF Cc1n[nH]c(C)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963466729 FAEMQAJGIOAKOA-SIKLNZKXSA-N 414.465 3.749 0 1 HHAF CCCCOc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1 1772611643 LOBGLSUPXXSYOS-UHFFFAOYSA-N 402.458 3.813 0 1 HHAF Oc1c2ccccc2nn1CCCCN1CCN(c2nsc3ccccc23)CC1 13738133 KPWDHZXNRBAFCD-UHFFFAOYSA-N 407.543 3.954 0 1 HHAF N[C@@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1 205244280 RTXQHIFTFRSOGY-CQSZACIVSA-N 403.465 3.539 0 1 HHAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCCc3ccccc3)ccc1-2 209703005 HNKQMNAXSPPXFC-OAQYLSRUSA-N 418.493 3.646 0 1 HHAF C[n+]1ccn([C@H](Cn2cnc3ccc(Cl)cc3c2=O)c2cc3ccccc3o2)c1 1857547989 WLOQPVWCDDNXNU-LJQANCHMSA-N 405.865 3.712 0 1 HHAF Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC(F)F)cc21 1857604591 GWZDQOKTRATXSY-UHFFFAOYSA-N 421.447 3.852 0 1 HHAF CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 760350 ZBAZVYZRDUBELH-PZJWPPBQSA-N 414.546 3.942 0 1 HHAF O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@@H]4CCNC[C@H]4F)cc3c2)c2n1CCC2 1911579894 WLDNDKUPNXWOSV-SJLPKXTDSA-N 420.410 3.703 0 1 HHAF C[C@@H]1CC[C@@H](Oc2ccnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1 118558677 ZWHNRJHYNBPVBD-QZTJIDSGSA-N 413.481 3.888 0 1 HHAF COc1ccc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c2cc(-c3ncno3)n(C)c12 103224944 UFOSKCLEYOYQCH-HNNXBMFYSA-N 417.469 3.667 0 1 HHAF CNCCc1cn(C2=C(c3c[nH]c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc12 29125675 DUVQBXZJIAXQEK-UHFFFAOYSA-N 418.884 3.563 0 1 HHAF C[C@@H](C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1)c1cccc(C(=O)c2ccccc2)c1 29135190 RITIBOFHWVGIPC-ZHRRBRCNSA-N 417.461 3.581 0 1 HHAF COC(=O)[C@@H]1[C@H](c2ccc(Br)c(Br)c2)C[C@@H]2CC[C@H]1N2C 36271794 UWYWQPVLTBLACL-UOVKNHIHSA-N 417.141 3.951 0 1 HHAF CC(C)(N)C(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1 72108911 XKAZULVCCJWYHL-UHFFFAOYSA-N 411.456 3.651 0 1 HHAF CC(C)Oc1cccc(NC(=O)c2ccc(OCC(=N)N)c(Br)c2)c1 42964395 NEVXKRRTTJNLNX-UHFFFAOYSA-N 406.280 3.803 0 1 HHAF Cc1cc(C)nc(NC(=S)NC(=O)[C@@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 40864237 NQAVCWZRMPCFGK-FBHVHMQKSA-N 406.861 3.864 0 1 HHAF CCCCNc1ncc(C(=O)NCC2CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82143678 BORYAXVNIUYAIS-UHFFFAOYSA-N 414.506 3.521 0 1 HHAF COCCn1cccc1[C@H](OC)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 84614608 ZLEUDFSHDXQCQF-JOCHJYFZSA-N 414.527 3.695 0 1 HHAF COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1 45245092 PITVIIACVFAXRK-UHFFFAOYSA-N 419.395 3.633 0 1 HHAF CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1ccccc12 197962679 WQFIZWCFRFXCPS-OJAHFUOMSA-N 402.563 3.907 0 1 HHAF CC1=C2c3cccc(-c4cc(C)no4)c3CCN2C(=O)CN=C1n1cnc(C2CC2)c1 149239829 GVCLMPIHXDIHDD-UHFFFAOYSA-N 413.481 3.800 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccc(F)cc1 261103143 GUUAKOSKYPMQSY-QGZVFWFLSA-N 410.409 3.570 0 1 HHAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1ccc(Cl)c(Cl)c1 68576390 NVISTDJERRYXJV-UHFFFAOYSA-N 403.209 3.692 0 1 HHAF biogenic CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccnc(Br)c3[nH]2)C(F)(F)C1 587132746 URYYFMZOWACIMH-QMMMGPOBSA-N 403.227 3.690 0 1 HHAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)n2)cc1 587111056 AAOPUINTNUCJBH-UHFFFAOYSA-N 414.178 3.985 0 1 HHAF Cc1ncc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)nc1Br 587939516 FDQVWCMYXIGARB-UHFFFAOYSA-N 406.305 3.717 0 1 HHAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335317 JOXUAPLLCNQTJU-YAGIYHLGSA-N 413.445 3.658 0 1 HHAF COc1ccc([C@]2(c3ccccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587440776 CMPXJKMYMZXKNJ-KOSHJBKYSA-N 404.418 3.806 0 1 HHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 586939329 UOJVBYOHPZUSJS-QGZVFWFLSA-N 407.879 3.621 0 1 HHAF COc1ccc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587581868 XMGBGZZOXVUPTL-XXBNENTESA-N 407.422 3.869 0 1 HHAF CCOC(=O)c1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613860 QVADILYTBAUUBF-IIBYNOLFSA-N 411.435 3.902 0 1 HHAF COC(=O)CC[C@]1(c2ccccc2N)N[C@H](C)Cc2ccc(F)c(Br)c21 587744516 BYFFHFYVFIQSGI-MPBGBICISA-N 421.310 3.901 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cccnc2OCC(F)(F)F)N1 962957429 BSBIMHLDMSVUFI-SMDDNHRTSA-N 422.737 3.643 0 1 HHAF C[C@@]1(c2c(N)cccc2F)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962927563 WFXVTEJZIVLUPZ-NZQKXSOJSA-N 408.429 3.768 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](CCO[C@@H]2CCCCO2)N1 962921051 FVPXTRZBRSAWOQ-BHIFYINESA-N 413.470 3.758 0 1 HHAF C[C@@]1(O)OC(=O)C(c2ccc(Cl)cc2Cl)=C1c1ccc(S(C)(=O)=O)cc1 13488614 WRPMIPDHDGLSQV-GOSISDBHSA-N 413.278 3.573 0 1 HHAF CC(C)Oc1nc(N2CCCCC2)c2nc(OC(C)C)nc(N3CCCCC3)c2n1 13583333 SVWJQFXTFDEPSA-UHFFFAOYSA-N 414.554 3.975 0 1 HHAF Nc1cccc(CN2C(=O)N[C@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1 169301538 BYSNQIHTZQPUDU-DSNGMDLFSA-N 415.537 3.768 0 1 HHAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2cccc3c2ccn3C)C(=O)O1 169353133 DDBJOZVQHUZKJJ-KGEPOTPBSA-N 413.514 3.999 0 1 HHAF CN1CCN(c2ccc(-c3cn4c(-c5ccc6c(ccn6C)c5)cnc4cn3)cn2)CC1 1857606828 OOEKMWGUJMVGJN-UHFFFAOYSA-N 423.524 3.702 0 1 HHAF COc1ccc(-c2cnc(NC(=O)[C@@H](C)Oc3ccc(-c4cn(C)cn4)cc3)[nH]2)cc1 1857757813 AKVLOQSCQKEOFW-OAHLLOKOSA-N 417.469 3.892 0 1 HHAF CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC 3794636 SWMDYKINDINJFM-XSDIEEQYSA-N 416.587 3.559 0 1 HHAF CCOc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 4105747 VVOGZCRADGIJPY-MUUNZHRXSA-N 415.902 3.939 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152927 QVXCJJIRAHDKQA-WKHFQEMYSA-N 408.498 3.597 0 1 HHAF CCCNC(=O)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)OCC)c2)C[C@@H]1CC 5415264 UXTIDJUKPYZWBN-IRXDYDNUSA-N 403.523 3.660 0 1 HHAF biogenic CC1(C)C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 13745242 XAQMBDNBRBOPIO-UHFFFAOYSA-N 406.555 3.891 0 1 HHAF CCc1ccc(N(CCN(CC)CC)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 27711381 XUCLDSWAZVFQIY-UHFFFAOYSA-N 417.575 3.609 0 1 HHAF O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccc(F)c1 28570689 MXSJSHDIEDILST-QGZVFWFLSA-N 424.476 3.938 0 1 HHAF C[C@H](CCCN)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28978083 UGSJMWOHCIPOFZ-CYBMUJFWSA-N 417.358 3.808 0 1 HHAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](OCc2ccccc2)CC1 35272696 VYAHKSRYQIJYLI-IBGZPJMESA-N 400.866 3.635 0 1 HHAF CCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(OC)cccc2O3)cc2cn[nH]c12 49110283 WNWMBBOWDDUFOF-UHFFFAOYSA-N 419.481 3.774 0 1 HHAF COc1ccc([C@@H]2C/C=C\C[C@@H](c3ccccc3)NC(=O)CCC(=O)N2)c(OC)c1 95663022 ZALFAKAZXVHVCH-PANKSDBESA-N 408.498 3.849 0 1 HHAF Oc1ccc2c3c1O[C@@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100383455 ZHVWWEYETMPAMX-XTKIHQQCSA-N 415.489 3.838 0 1 HHAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-n2nccn2)c1 167117588 HWYITMBMUBDYTG-IBGZPJMESA-N 406.486 3.928 0 1 HHAF Fc1ccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112481 SSIMRFYYUFVKNG-DEOSSOPVSA-N 416.616 3.983 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC[C@H]1CC(C)(C)N([O])C1(C)C)O2 205778524 IOEUCWATYILOFJ-MWTRTKDXSA-N 403.543 3.742 0 1 HHAF COc1c(C#N)n[nH]c1-c1cc(C(=O)N2CC(c3ccc(C#N)cc3)C2)c(C)cc1C 219100863 OPFSVUDNFGHARE-UHFFFAOYSA-N 411.465 3.685 0 1 HHAF COC[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccccc1 261080400 BPCAXXFZSCOJRA-KRWDZBQOSA-N 406.421 3.668 0 1 HHAF CCc1cc(O)nc(SCc2nc3cc(Br)c(F)c(F)c3[nH]2)n1 586966548 IDCVJZCYBGVHAR-UHFFFAOYSA-N 401.236 3.954 0 1 HHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587121412 BQVOJADEZUUGKY-UHFFFAOYSA-N 422.388 3.633 0 1 HHAF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cn1 587139975 BXIZSDUWZHSHAR-UHFFFAOYSA-N 416.409 3.713 0 1 HHAF N[C@H](Cc1ccc(I)cc1)c1nc2ccc3ncccc3c2[nH]1 587184846 GIAWEDHQPUBCNS-CQSZACIVSA-N 414.250 3.958 0 1 HHAF CCOC(=O)[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333978 DISXTDCYXBHSHX-OFNKIYASSA-N 407.397 3.744 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335272 JOXUAPLLCNQTJU-CXIFVNDISA-N 413.445 3.658 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1sc(Br)c4c1OCCO4)[C@@H](C2)C3=O 587450247 IGIQARUZPXKVLI-TVQRCGJNSA-N 409.257 3.779 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O 587477292 QICSSCIUBABZAB-IVZQSRNASA-N 419.474 3.533 0 1 HHAF O=C1C[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587517058 GKKHOTRLSFXJBX-XMMPIXPASA-N 402.450 3.782 0 1 HHAF CCOC(=O)CC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585164 CEHRUZDGBACOBB-ZJSXRUAMSA-N 419.433 3.988 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587725322 PPQDSMIWKKXPBR-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 587747829 SDHLGLVJEAZEGB-NSPYISDASA-N 407.283 3.813 0 1 HHAF COc1cccc2cc3c(nc12)[C@H](c1c(Cl)cccc1S(C)(=O)=O)NCC3 963055655 KLVIOVKXUCAFMD-FQEVSTJZSA-N 402.903 3.535 0 1 HHAF C[C@H](NS(=O)(=O)c1ccccc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356429800 IGNWONWDODFSKT-NSHDSACASA-N 406.847 3.733 0 1 HHAF C[C@@H](C=C[C@H](C)[C@@H]1C[C@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CO 2356654127 OJUYKMCASYNMLF-HGYHOMMOSA-N 420.634 3.769 0 1 HHAF CCN(CCn1cccn1)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 12442317 IADHPVNVBLRANO-UHFFFAOYSA-N 404.470 3.786 0 3 HHAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1OC(F)F 61926024 PWARNIWZWFAIJT-NRFANRHFSA-N 404.413 3.662 0 3 HHAF CCOc1cc2[nH]c(=S)n(Cc3ccc(C(=O)O)cc3)c(=O)c2cc1OCC 2976540 UJGWGSYDZMYLKD-UHFFFAOYSA-N 400.456 3.603 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c1 4208530 IHTRSECRVIKUEF-TZIWHRDSSA-N 414.889 3.689 0 1 HHAF CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCC3)n2C)CC1 13743863 SZIOKOQNKGACDV-UHFFFAOYSA-N 424.589 3.761 0 1 HHAF O=C1C[C@@H](C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2ccccc21 28569269 WGVUSPIEJGVUSY-JOCHJYFZSA-N 402.538 3.843 0 1 HHAF CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCN)cc2)cc1 48998844 HCGBUHQBTSGJRX-UHFFFAOYSA-N 418.563 3.690 0 1 HHAF O=c1n(Cc2nc(C3CC3)co2)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12 113387412 WSQMBQWQWAJCSH-UHFFFAOYSA-N 416.359 3.975 0 1 HHAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](N3Cc4ccccc4NC3=O)C1)C2 473145916 BUYVTPGEWYQFCF-RSPOEFSDSA-N 412.534 3.508 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C(F)(F)C(F)F)[nH]c3c2)cc1 587088845 DALUJZGKTQLRQG-UHFFFAOYSA-N 403.357 3.729 0 1 HHAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c2n1 587144470 ZMTPABODBHCPDN-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587352715 NMQDICCAUIOBBZ-RAPQPTJKSA-N 402.421 3.586 0 1 HHAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587605536 AVNTXEHLJMQEDV-QMIHVTFKSA-N 422.433 3.573 0 1 HHAF O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 587652130 WXTHKGZVPWZNAL-UHFFFAOYSA-N 403.751 3.910 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)n2C)N1 587685566 ULPYQPNBCNRDQV-FUXBKTLASA-N 403.093 3.708 0 1 HHAF CCOc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587795071 NGKBWAJKFDMDRK-APBUJDDRSA-N 405.267 3.717 0 1 HHAF Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 587838229 MWYMKEKUAKBBOE-KAWXRDEMSA-N 418.262 3.890 0 1 HHAF COc1ccc2c(c1)C[C@H](c1nc3cc(I)cnc3[nH]1)CC2 587945497 FTEYIOOFUCWXCD-LLVKDONJSA-N 405.239 3.844 0 1 HHAF CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@@H]4OCCN3CC[C@H](F)C3)c12 653666696 MUHIWTRMLIAJQY-CVYDXHPNSA-N 404.555 3.842 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cc(F)cc(S(C)(=O)=O)c1 962395293 CEGPFILKUBJYAZ-NRFANRHFSA-N 418.559 3.951 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc4c(Br)ccc(O)c4n3)c3cccc1c32 963027428 NYRYOMRNYQDMMR-BIBXISHDSA-N 424.298 3.846 0 1 HHAF CCn1cc(C(=O)C[C@@]2(C(F)(F)F)NCCc3cnc4c(OC)cccc4c32)cn1 963049282 BPMJLNAJNPCFMK-HXUWFJFHSA-N 418.419 3.636 0 1 HHAF COc1cccc(-c2cc3c(c(OCCCN(C)C)c2)OCCN(C(=O)C2CC2)C3)c1 1772612410 ZKTIXNJEIODZHU-UHFFFAOYSA-N 424.541 3.824 0 1 HHAF CCn1c(CNc2cccc(C(=O)NCc3ccccc3)c2)nnc1-c1ccncc1 1772650279 ARSZMAAOVNYKQN-UHFFFAOYSA-N 412.497 3.902 0 1 HHAF Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]2[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)cn1 1772653571 XHOQUWOASSCOOG-FIIJTSBOSA-N 406.526 3.830 0 1 HHAF Cc1ccc([C@H](O)SNNc2nc(C)nc3c2c(C)nn3-c2ccccc2)cc1 1857590702 YXVRBZTWXRDFMR-OAQYLSRUSA-N 406.515 3.997 0 1 HHAF C[C@H]1C[C@@H](C)CN(C(=O)c2nsc3cc(N=c4[nH][nH]c5cccnc45)ccc23)C1 1857616068 ODXBCOYBIAXPCV-BETUJISGSA-N 406.515 3.851 0 1 HHAF CC1=C[C@H](CNC(=O)Nc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356314020 YABGGRNPJXBMFQ-TUNNFDKTSA-N 413.562 3.912 0 1 HHAF O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@H]3[C@H](C(F)(F)F)N2N1 38171161 IQDPLDKEGCGPJG-NSODJVPESA-N 400.351 3.509 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(C)c1 72138424 CVXOYTIAJICINQ-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CCOc1ccc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)cc1 104009431 GSLMNAQPHKHUDK-YOEHRIQHSA-N 420.391 3.795 0 3 HHAF O=C(NC1[C@@H]2CN(CCCc3ccccc3)C[C@H]12)[C@@](O)(c1ccccc1)C1CCCC1 3962695 DJBRSVQJAQGQJK-MSKGHIIKSA-N 418.581 3.744 0 1 HHAF COc1cc(CNc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1OC 13679291 LLXKKDSZHADWJG-UHFFFAOYSA-N 408.458 3.740 0 1 HHAF Cc1ccccc1CN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 21640394 AEHCIGYKECHRHH-UHFFFAOYSA-N 417.532 3.809 0 1 HHAF CN1CCc2cc(-c3ccc([C@@H](c4ccccc4)N4CCNCC4)cc3)ccc2C1=O 22939765 HRURBZJXWNXPLL-AREMUKBSSA-N 411.549 3.976 0 1 HHAF Cc1cc2c(cc1O)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2 27426283 SRWRQPQMXBCFIH-SIKLNZKXSA-N 413.495 3.757 0 1 HHAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(-c3ccccc3C(F)(F)F)cnc21 27704307 FEUBEOKRAPIQBO-UHFFFAOYSA-N 411.383 3.829 0 1 HHAF Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2nc3ccc(F)cc3s2)CC1 28394573 NVGYMPKAWRBFSM-UHFFFAOYSA-N 406.874 3.541 0 1 HHAF Cc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1 32353244 OZWOINKWEBGQPF-IZZDOVSWSA-N 413.315 3.755 0 1 HHAF Nc1nc(SCC(=O)Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1 33745333 KGSQSWYFBDQXRR-UHFFFAOYSA-N 420.466 3.987 0 1 HHAF Cc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 34375249 MWAGVBZZKRTPHE-YKKAYUNGSA-N 407.558 3.779 0 1 HHAF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(OCc3ccccc3)cc2C1=O 38939561 UJRIAWAJRXXKKU-UHFFFAOYSA-N 419.481 3.992 0 1 HHAF O=c1c(-c2ccc(O)cc2)c(CSC2=NCCS2)oc2cc(O)cc(O)c12 40943154 XAXSXQGSQBEHMM-UHFFFAOYSA-N 401.465 3.913 0 1 HHAF COc1cc(-c2noc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 45351635 VBNFNAPTRQJJRO-UHFFFAOYSA-N 416.430 3.642 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2/C=C/c2ccccc2)cc1 103192917 AJTOXRYYVZAXQO-SQUSKLHYSA-N 419.506 3.736 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)[C@@H]1CC[C@@H](C2)N1 113223020 MSSDMKJGEPOJRU-PXNSSMCTSA-N 412.493 3.652 0 1 HHAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl 198913497 OCVRDYREJYODBM-UHFFFAOYSA-N 407.904 3.726 0 1 HHAF C[C@@H](CNC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 202690099 WIVHYBAXQLHYTH-HJPURHCSSA-N 420.981 3.729 0 1 HHAF CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)O[C@H](C)C(F)(F)F)c1F 299840352 VDOSWDJOWZBZEE-GFCCVEGCSA-N 423.403 3.508 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C(F)(F)C1 587132837 VPUVPDXTAWSDCU-QMMMGPOBSA-N 403.332 3.854 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585942 ITEWEDNYEINEDC-REWPJTCUSA-N 405.406 3.598 0 1 HHAF COc1cc(N)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587746822 IALVCFOKWJBQFF-OVWNDWIMSA-N 409.299 3.985 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c[nH]cc(I)c1=N 963230719 ADFMDTJHIVVEBH-KPZWWZAWSA-N 407.299 3.845 0 1 HHAF C[C@@]1(c2cc3c(cc2Br)NC(=O)CO3)NCCc2cc(Cl)ccc21 963390835 NJGLIYRBYHUCCZ-GOSISDBHSA-N 407.695 3.843 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CCCOC2)cc1F 1772652237 CUKXCYUCHNHBBC-SNVBAGLBSA-N 405.904 3.575 0 1 HHAF CCOC(=O)C1=C2CCCN2C(c2ncc(F)cn2)=N[C@H]1c1ccc(F)cc1Cl 1857750335 AUHOELJHZQEDTI-KRWDZBQOSA-N 418.831 3.823 0 1 HHAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)Nc1cccc2ccccc12 2356353191 JSVFQDLQYSSUGR-KQVMHEHBSA-N 411.542 3.715 0 1 HHAF O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cccc(F)c2F)cc1 201472602 JPGOZLHJISBNGH-MRXNPFEDSA-N 424.403 3.787 0 3 HHAF COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1N1CCN(C)CC1 837368 NECBFUUHCUJAGU-UHFFFAOYSA-N 402.498 3.761 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 104267825 DBVVQIUGVRXLPK-SFTDATJTSA-N 420.623 3.516 0 1 HHAF COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc(C(=O)O)[nH]2)cc1 53313510 RMPQFEZMASYAHZ-YVLHZVERSA-N 418.409 3.858 0 1 HHAF COc1ccc([C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 115731668 QDCJERDRJJAYLT-QFIPXVFZSA-N 423.490 3.882 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)[C@@H]1CC[C@H](C2)N1 113225986 KHANLFXXTGWBLA-IERDGZPVSA-N 412.493 3.652 0 1 HHAF CNC(=O)c1cnc(-c2cc(C(=O)N[C@@H](C)COC)cc(-c3ccc(C)cc3)c2)s1 113762120 FEOXMZKMTZPLML-HNNXBMFYSA-N 423.538 3.910 0 1 HHAF C=CC(C)(C)c1cc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c(O)c1OC 15120974 RJUVRXGINYDITK-ZDUSSCGKSA-N 400.427 3.643 0 1 HHAF biogenic CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](NC)CC2 88261107 JKCYUIBVMXBRCG-XZOQPEGZSA-N 400.588 3.719 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cs1 82069280 IONFCAQBLAIHMK-KRWDZBQOSA-N 410.495 3.723 0 1 HHAF Cc1ccc(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1 40951490 YTFVFLULFAFNTO-UHFFFAOYSA-N 422.514 3.580 0 1 HHAF Cc1csc(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1 199435821 PLEDFUKIZHYXGE-QGZVFWFLSA-N 409.559 3.690 0 1 HHAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccnc(C(F)(F)F)c4)nn23)cc1 299841130 YBXBMUVLQAOGFA-UHFFFAOYSA-N 418.400 3.881 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 587734451 RPGVLAAILASWQF-YPMLDQLKSA-N 405.246 3.932 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=S)NC3CC3)c(=O)c3ccccc23)c(O)c1 587671359 VRMGORHXQBENHL-UHFFFAOYSA-N 408.527 3.500 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CN(c3ccc(N)cn3)C=C2)N1 587775185 RKAWNDBTPDJZQT-GFCCVEGCSA-N 401.283 3.843 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccccc1)C(=O)C2 587583068 PZVSVQSJMFBQFY-URXFXBBRSA-N 401.418 3.920 0 1 HHAF Cc1ccc(-n2cnnc2SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1Cl 586968919 YIANLIOOLYGWIQ-UHFFFAOYSA-N 411.878 3.980 0 1 HHAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587256660 LLXQBWXFDKUUNI-SNVBAGLBSA-N 422.245 3.946 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CN(c3ccc(N)cn3)C=C2)N1 587775558 TUQFOZJQXCJMTC-LBPRGKRZSA-N 401.283 3.843 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2nccn2C)N1 587757842 WCHJJHAISLLYAL-BLVKFPJESA-N 401.283 3.543 0 1 HHAF COc1ccc(C[C@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cn1 963174424 GKLLRLISTHDXKL-UGSOOPFHSA-N 414.811 3.819 0 1 HHAF CS(=O)(=O)c1ccc2c3c(ccc2c1)O[C@H](c1cc(F)c(F)cc1F)[C@@H](N)C3 1772584009 AKMNKWZCGAOVKC-AZUAARDMSA-N 407.413 3.664 0 1 HHAF COc1cc2nc(Cl)nc(NS(=O)(=O)c3ccc(C)cc3C)c2cc1OC 1772613509 WFSKRIUULNCCPR-UHFFFAOYSA-N 407.879 3.718 0 1 HHAF Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)cc2)c1 13153063 LMMYRXURCHDBOR-FZHKGVQDSA-N 404.466 3.692 0 1 HHAF CC(C)(C)NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 13983437 MLBYOWASRACYDH-UHFFFAOYSA-N 420.517 3.945 0 1 HHAF in-vitro N=c1[nH]cnc2c3c(n(-c4ccc(CC(=O)Nc5ccc6c(c5)CCC6)cc4)c12)CCC3 1857549053 CNIRMIABNMKYRL-UHFFFAOYSA-N 423.520 3.992 0 1 HHAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCC(C)(C)CO)cc1 774272 ROCJGEUYXGHHAG-UHFFFAOYSA-N 410.470 3.774 0 1 HHAF CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N21 1656456 VBTVHUMUVXSSRB-FSSWDIPSSA-N 412.493 3.595 0 1 HHAF O=C(O)C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1 13824702 PEXIVRSEMGWJFU-KGLIPLIRSA-N 419.301 3.722 0 1 HHAF CC(C)OC(=O)c1c(C=O)n(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 28113937 FXILVWDXINBOSM-UHFFFAOYSA-N 405.859 3.909 0 1 HHAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 28711088 ONVGEANWWJPVPT-KOLYYURTSA-N 421.559 3.619 0 1 HHAF CC(C)N1CCN(C(=O)c2ccc([C@@H](CCN(C)C)Oc3ccccc3)cc2)CC1 28892832 CPVIJSYBBQJOPU-XMMPIXPASA-N 409.574 3.925 0 1 HHAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@H](c2cccc3ccccc23)O1 29315437 IADWXCHFXIXGKU-UUOWRZLLSA-N 409.482 3.940 0 1 HHAF c1cc(CCNc2cc(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)n2)ccn1 66259610 IRNABWGPERCWAQ-UHFFFAOYSA-N 400.486 3.511 0 1 HHAF Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)CN)C3(C)C)cc1 84687268 ZSDOPJQRXBSGSX-UHFFFAOYSA-N 407.493 3.777 0 1 HHAF CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc32)=C(O)[C@@H]1C(C)(C)C 100425027 DMNLVDTVRUBIBL-GOSISDBHSA-N 404.532 3.683 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4ccnc5ccccc45)ccc31)[C@H]1CC[C@H](C2)N1 100633038 HOAWKKYLOUGPPY-AUUYWEPGSA-N 403.507 3.909 0 1 HHAF Cc1nc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)[nH]c1C 115165951 DVHLRUZGQGUNFR-GFCCVEGCSA-N 419.455 3.541 0 1 HHAF Cc1nc(-c2cccc(NC(=O)c3ccc4nc5n(c4c3)CCCNC5=O)c2)cs1 147127064 GEAJTWHHUPQLRH-UHFFFAOYSA-N 417.494 3.854 0 1 HHAF CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cn2)c1 169311638 WFUUDJRFXVGQJI-UHFFFAOYSA-N 419.865 3.952 0 1 HHAF O=S(=O)(Nc1ncccn1)c1ccc(Nc2ncnc3c2oc2ccccc23)cc1 201969819 UAKPJMZPGJRPRD-UHFFFAOYSA-N 418.438 3.710 0 1 HHAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(Br)cn1)C2 226060823 WIFHLFFAUGGFPJ-MAZHCROVSA-N 420.282 3.849 0 1 HHAF O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)c1cc2ccccc2cn1 299818688 AJIGPZIDDACLTM-UHFFFAOYSA-N 406.505 3.706 0 1 HHAF O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)c1 299821305 JYGNHKASLKGALM-UHFFFAOYSA-N 404.378 3.618 0 1 HHAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586959546 RAXCXERDQOCMMB-JOCHJYFZSA-N 423.494 3.611 0 1 HHAF O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4C3=O)nc3ccc(O)c1c23 586988817 WZJSQZOJYJEZPJ-UHFFFAOYSA-N 406.397 3.948 0 1 HHAF COC(=O)c1cc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1OC 587023286 MNFRTOXEIRQHOC-UHFFFAOYSA-N 404.448 3.829 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587245302 TXIRYIXKPOVNOO-UHFFFAOYSA-N 401.426 3.587 0 1 HHAF CCOC(=O)C[C@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346216 IAFMEAYQYIMBLI-UNMCSNQZSA-N 402.418 3.619 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1nnn(Cc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587421467 MMIPVKDEHWAVNZ-JTSKRJEESA-N 409.873 3.960 0 1 HHAF CCCc1c(O)ccc2c1O[C@](Cc1cnn(-c3ccccc3)c1)(C(=O)O)CC2=O 587475269 KVIACSLCXOSFQU-QHCPKHFHSA-N 406.438 3.562 0 1 HHAF COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517216 JHUFWEVRWPMMDK-GJZUVCINSA-N 419.521 3.965 0 1 HHAF C[C@@H](Oc1cccc(Br)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587650786 DTEUQFFGVPXJEC-SNVBAGLBSA-N 407.651 3.920 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1ccc2c(c1)OCO2 587867571 KGGYZEAGDHDUHE-UHFFFAOYSA-N 419.359 3.974 0 1 HHAF Cc1cccc2c1[C@H](c1[nH]nc3ncccc13)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905697 ZUOGLGMKEIUKJJ-FOIQADDNSA-N 422.485 3.992 0 1 HHAF O=C(O)CCc1ccc(NC(=O)c2nnc(COc3ccc4c(c3)CCC4)s2)cc1 1857644119 WDABPWIOAQKGNE-UHFFFAOYSA-N 423.494 3.875 0 1 HHAF Cc1ccccc1-n1c(Cn2cc(-c3cccnc3)nn2)nc2cccc(C)c2c1=O 1857756855 RLCPVCOGKHNZDT-UHFFFAOYSA-N 408.465 3.704 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 13133475 PUDOZZTYLABBEU-BFYDXBDKSA-N 415.559 3.727 0 3 HHAF aggregator COc1cc2c(cc1OC)[C@H](SC)C(=O)N(Cc1cccc(OC)c1OC)CC2 5809734 CVALYQRNZBJMFA-NRFANRHFSA-N 417.527 3.710 0 1 HHAF COc1ccc(NC(=O)c2cc(N)ccc2NC(=O)c2ccc(N(C)C)cc2)cc1 13557988 AGKAXYAMJUYDSP-UHFFFAOYSA-N 404.470 3.848 0 1 HHAF CC(=O)NCc1ccc(O)c(-c2cccc(-c3cc4cc(C(=N)N)ccc4[nH]3)c2O)c1 34804682 VGMMFTPQUFFWLJ-UHFFFAOYSA-N 414.465 3.833 0 1 HHAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CCOCC3)cc3c(nc(C)n3C)c2O1 49088942 QSCUVEAKXPPJEN-NRFANRHFSA-N 405.498 3.729 0 1 HHAF O=C(NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3c(c2)OCO3)n1 82086243 SEHPKQCPADWPKA-UHFFFAOYSA-N 406.316 3.899 0 1 HHAF Brc1cnc(Nc2cc(C3CC3)n[nH]2)nc1Nc1cc(C2CC2)n[nH]1 140304437 NBVQHLDUKVRYKB-UHFFFAOYSA-N 401.272 3.927 0 1 HHAF CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(C(=O)N[C@@H](C)c3ccccc3)c2)C(=N)N1 148365303 PGSGWIDQXZCHJL-FYSMJZIKSA-N 424.520 3.988 0 1 HHAF in-vitro Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCn3nccc32)cn1 149183352 ABKLJTMXGVJGDB-UHFFFAOYSA-N 415.453 3.871 0 1 HHAF CCCCNC(=O)N1CCC(O)(c2cccc(NC(=N)c3cccs3)c2)CC1 169325197 MROSJOJOSSPCOG-UHFFFAOYSA-N 400.548 3.979 0 1 HHAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1 199941573 MUYWJBCCUVIPEV-UHFFFAOYSA-N 418.607 3.527 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@@H]4C[C@H]4C)c3)C2)cc1 224869154 OBBNPTBEOJBVEB-VMXDCPSBSA-N 409.530 3.971 0 1 HHAF COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OC[C@@H]1CN(C)CCO1 299832119 RUICWPMDGNHGGQ-INIZCTEOSA-N 414.893 3.745 0 1 HHAF COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 299881737 ONOBHWKTRAGYDT-JTDSTZFVSA-N 413.522 3.746 0 1 HHAF O=C(Nc1ccc(F)cc1Cl)c1ccn(C(=S)Nc2ccc3c(c2)OCO3)n1 473084229 FZOXUWDFFRYEEU-UHFFFAOYSA-N 418.837 3.902 0 1 HHAF CN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)S(=O)(=O)c1cccnc1 586929510 WYMAACUMOSAKJN-UHFFFAOYSA-N 410.524 3.930 0 1 HHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc(Cl)c2[nH]1 586949830 BTVAIVIRYVFOFZ-UHFFFAOYSA-N 414.712 3.941 0 1 HHAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(O)nc(O)nc4[nH]3)c(Cl)cc12 587078166 JOBVPZPUHWVUCZ-MRVPVSSYSA-N 416.821 3.616 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587112391 JGSTYSLNRBZOLD-FQEVSTJZSA-N 418.419 3.683 0 1 HHAF Cc1nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)n2n1 587350576 XBEMTYHJDYKYGD-OFNKIYASSA-N 418.428 3.860 0 1 HHAF C[C@@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353228 MPBZYEMJRGHNOV-BKULYWANSA-N 422.408 3.924 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(Cl)cc1)CC2=O 587484798 HNTFHPVOFUIYTL-HXUWFJFHSA-N 408.903 3.903 0 1 HHAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CS(C)(=O)=O 587533765 VDIRYIKUGMSDAD-QHCPKHFHSA-N 414.523 3.999 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC 587588247 QDTGQLAEFNXODW-FDDCHVKYSA-N 423.421 3.690 0 1 HHAF O=C(Cc1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655643 CEWJTAFDTUOKIW-UHFFFAOYSA-N 420.371 3.953 0 1 HHAF CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3c2)CC1 653754347 WFAGOLWNQFGARG-UHFFFAOYSA-N 413.481 3.544 0 1 HHAF CO[C@H](C)c1nc(C)nn1-c1cc([C@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 1772574229 SUQHAYCAQYBTIP-UHOFOFEASA-N 403.490 3.539 0 1 HHAF CCOC(=O)N1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1 1772608307 FQEKHPKAOCFEHM-UHFFFAOYSA-N 402.564 3.677 0 1 HHAF COc1nc(OCc2cccc(-c3ccccc3)c2)ccc1CNCCNC(C)=O 1772644665 ZBTZAXCWWVEHIG-UHFFFAOYSA-N 405.498 3.562 0 1 HHAF O=C(c1c(O)cc(O)cc1Nc1ccnn1Cc1ccco1)N1Cc2ccccc2C1 1857561882 JBKPGPHBRSDRJB-UHFFFAOYSA-N 416.437 3.835 0 1 HHAF COc1ccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1OC 1857587602 PYKFZFKTVYQQKM-XMMPIXPASA-N 401.466 3.611 0 1 HHAF Cc1ccc(CN(C2CC2)[C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 1857631390 PLBCPICEJHEIQQ-UZUQRXQVSA-N 412.484 3.806 0 1 HHAF COC1=C(C)C(=O)OC1=C1O[C@@H]2CCCn3c([C@@H]4C[C@H](C)C(=O)O4)ccc3[C@H]2[C@@H]1C 2356637097 GZYSVEMTTMYHDO-ZNSVPITBSA-N 413.470 3.713 0 1 HHAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](C)[C@H]3O 2356811998 BHHUWPSLCSJSDB-UAPZJHBMSA-N 422.606 3.695 0 1 HHAF CCC(C)(C)n1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1 19499650 DSVFTAAIENQJBL-NRFANRHFSA-N 407.518 3.680 0 3 HHAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(OC)cc2)c2ccc(F)cc21 206033406 JDHAQLAVYWWBLV-OAQYLSRUSA-N 408.429 3.949 0 3 HHAF Cc1c(Sc2ccccc2)n(COCCSc2ccccc2)c(=O)[nH]c1=O 6520206 AVNOMNJYTPNCNJ-UHFFFAOYSA-N 400.525 3.763 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2CC[C@H]3C[C@]3(c3ccccc3)C2)n1C 101638802 ACFIBJLBHXWBFG-PGRDOPGGSA-N 409.559 3.924 0 1 HHAF O=C(NC[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)OCc1ccccc1 27521101 FEYOATMPAWRDSN-NRFANRHFSA-N 417.440 3.910 0 1 HHAF CCc1nnc(Nc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)s1 114808239 LYHRNYVRMUSNPP-UHFFFAOYSA-N 417.541 3.919 0 1 HHAF Cc1cc(O)c2c(c1Br)[C@H]1Oc3cccc(C(=O)O)c3C(O)=C1OC2=O 2356817148 DIARVRAAYLMHDN-OAHLLOKOSA-N 419.183 3.692 0 1 HHAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1C=C[C@H](NC(=O)CC2(CC(=O)O)CCCC2)C1 2356846439 ONYFGXMIESKVCG-OALUTQOASA-N 422.529 3.838 0 1 HHAF Cc1nc2c(=O)n(Cc3ccccc3)nc(CN(C)C)c2c2cc(-c3ccccc3)nn12 36242963 NWOYPSQSXFBTCX-UHFFFAOYSA-N 424.508 3.525 0 1 HHAF COc1ccc2nc(C)cc(N3C[C@H](CNC(=O)c4ccc(C)cc4)OC3=O)c2c1 72121333 GNDSSFXEIQEFAM-SFHVURJKSA-N 405.454 3.615 0 1 HHAF Cc1cc(C#N)ccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220235001 RGEQSXIHFQYJKK-UHFFFAOYSA-N 412.496 3.655 0 1 HHAF Oc1cccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@@H]2CCCO2)c1 82178262 ZWBKLLZEHGJERR-IBGZPJMESA-N 401.470 3.990 0 1 HHAF Cc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)cc1 82132864 KXFXGZINJCHFTP-UHFFFAOYSA-N 402.498 3.579 0 1 HHAF Cc1ccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 142081270 WFMHRJIHZINNQU-GDBMZVCRSA-N 408.462 3.989 0 1 HHAF CN1O[C@]2(N=C1N)c1cc(C#CC3CC3)ccc1CC21CCC(OC(F)F)CC1 141069182 JMJNGNODBHWNRG-JHJOLFGTSA-N 401.457 3.517 0 1 HHAF COc1cc(C[C@H](C)[C@H](COC(C)=O)Cc2cc(OC)c(O)c(OC)c2)ccc1O 72107031 UBVTXRWIGGYYPO-KSSFIOAISA-N 418.486 3.724 0 1 HHAF biogenic,in-vitro Cc1nc(Nc2nc(C)c3cc4c(cc3n2)OCO4)nc(O)c1Cc1ccccc1 299821512 FRHDYTGKPIRNTH-UHFFFAOYSA-N 401.426 3.805 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O 587441065 CXKZPADALJMIGI-NBGIEHNGSA-N 407.510 3.757 0 1 HHAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2ncnn12 587343557 CRDLDWMEGXNLQQ-KNQAVFIVSA-N 404.401 3.552 0 1 HHAF COc1cc2c3c(c1)O[C@](COc1ccccc1)(CP(=O)(OC)OC)[C@@H](C2)C3=O 587447941 GNZMHNRQJLXKLL-LAUBAEHRSA-N 418.382 3.746 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C)c3[nH]2)CC1 586952833 OMYOOSSMZZDGHQ-UHFFFAOYSA-N 400.342 3.553 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587208651 DAQAKWBMRONAPR-VOIUYBSRSA-N 418.518 3.890 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1OCCO2 587607508 HKSPZLBYYNVIET-KNQAVFIVSA-N 406.390 3.875 0 1 HHAF CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)n1 587378849 WPYBKIPWRIXFCZ-LAUBAEHRSA-N 411.458 3.900 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587773401 YRFJSYVNFPIPCD-PRWKNARSSA-N 417.278 3.784 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@@H](C(=O)O)[C@H]2C3)c1 587364092 WYPAYVIKZYDNFZ-LBUQITIBSA-N 400.434 3.969 0 1 HHAF NC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024527 BEZIAGWNDWDRAN-CCKFTAQKSA-N 408.527 3.798 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587776807 DRJCJWFMJOWRCS-UGZDLDLSSA-N 421.266 3.501 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(CC(=O)c1ccc3c(c1)OCCO3)N(C)[C@H](C)C2 962628062 GSBGCPPQDNAHQT-OYLFLEFRSA-N 411.498 3.840 0 1 HHAF Cc1cc2c(cc1O)[C@@H](c1ccc3ccc(Br)cc3n1)N[C@H](C(=O)O)C2 963529857 ZGYKTIMEOJBOQU-HKUYNNGSSA-N 413.271 3.700 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1 962979457 SIQPXEAVUMFOOF-KBXCAEBGSA-N 407.779 3.631 0 1 HHAF CCn1ncc([C@@]2(CC(=O)C(F)F)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1C 962638647 XDSQDRHRIYGBAZ-MCMMXHMISA-N 421.488 3.573 0 1 HHAF COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCCCCN1CCNCC1 1772626492 JZGKXBZDBKAHBX-UHFFFAOYSA-N 422.525 3.923 0 1 HHAF O=C(/C=C/c1cccc(Sc2ccc(Cl)cc2Cl)c1)N(CCO)CCO 13814776 IAMRJPFIUFSJPM-QPJJXVBHSA-N 412.338 3.971 0 1 HHAF Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(C(=O)O)c(C)n1 13826886 VJGPDUGNMPZEEE-UHFFFAOYSA-N 401.426 3.823 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(OCC4CC4)c3F)C2)cc1 169709844 HEBSUEXNNPDFKW-MGPUTAFESA-N 413.493 3.864 0 1 HHAF C[C@H]1[C@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C[C@@H]2C[C@H]1C2(C)C 169729809 CBQVUEDFZOLHIN-AETAKHFUSA-N 402.922 3.855 0 1 HHAF O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1 5139881 RMHLYODVQGTMOO-FGZHOGPDSA-N 405.498 3.619 0 1 HHAF COc1ccc(C(=N)NC(C)C)cc1-n1cc(-c2ccc(C(=N)NC(C)C)cc2)nn1 45256231 XFIQRKRNQVJEIS-UHFFFAOYSA-N 419.533 3.590 0 1 HHAF C[C@H]1CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)Cc2ccc(C(F)(F)F)n21 84615691 YAKRDMIJMKTZDY-CMPLNLGQSA-N 419.369 3.788 0 1 HHAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100101787 HCMQJWFXKGUDQZ-VVVPJILLSA-N 416.546 3.986 0 1 HHAF C[C@H]1[C@@H](C)NC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21 117699567 KMZHUPNJAVFPRF-KGLIPLIRSA-N 415.453 3.560 0 1 HHAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ncc[nH]c-3n2)cc1OC 587058736 YSLYGTOBISJTMX-UHFFFAOYSA-N 409.833 3.894 0 1 HHAF Cc1c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074788 YWPOSRCEFWQYAJ-UHFFFAOYSA-N 421.936 3.583 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 587153816 ADTZKNNQGCKOCE-BBATYDOGSA-N 404.239 3.593 0 1 HHAF NC(=O)C12CC3C[C@@H](C1)C1(Oc4cc(O)ccc4C(=O)[C@H]1c1ccc(F)cc1)[C@@H](C3)C2 587335803 MGSFPTAYSXGZOA-WIFQEBCASA-N 421.468 3.941 0 1 HHAF CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346197 HTNXMCGBWVRFAY-GREBRCKQSA-N 414.429 3.807 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 587413205 QYEXMXJCZFJAJP-DNQXCXABSA-N 417.417 3.709 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccnc1-c1ncccc12 587589921 YVOHTNMDUSHTMQ-KBMIEXCESA-N 422.396 3.903 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587764478 QCUUYIAWTFUJCV-SAXVRSFESA-N 407.331 3.658 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCC(=O)O)c2)N1 587790037 DTWJUCPEAAVAGC-JEOXALJRSA-N 408.267 3.849 0 1 HHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587934726 FJXNVKQJSGKMGU-FVMDXXJSSA-N 405.248 3.869 0 1 HHAF Cc1nn(C(C)C)c(C)c1[C@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962627194 FEUVELGDFGGGEJ-KUHUBIRLSA-N 411.424 3.842 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](C)([C@H](C)OC)N2C(=O)OC(C)(C)C 962703149 FSQPEISNYIEJIJ-QVXRUGPVSA-N 407.482 3.727 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(F)c3I)c3cccc1c32 963033901 VNFIDRDIYSUPLT-MLCYQJTMSA-N 422.241 3.573 0 1 HHAF CCN(CC)CCN1C(=O)[C@@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2ccccc21 963113704 ZMVVIGPTHWWFMP-CJFMBICVSA-N 407.533 3.778 0 1 HHAF COc1ccc2c(c1OC)C1(C[C@@H]3CC[C@H](C1)O3)N(C(=O)c1ccccc1N)CC2 963161223 XWMLOSAKLMLHRV-LDSCYUJKSA-N 408.498 3.521 0 1 HHAF O=C1c2ccccc2C(=O)N1CCCOc1ccc(Cn2ccnc2)c2cccnc12 1857559627 OKRGPPMJIWCPOE-UHFFFAOYSA-N 412.449 3.545 0 1 HHAF COC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857561367 QOANDSBSZRJRLX-KRWDZBQOSA-N 400.431 3.639 0 1 HHAF O=C1O[C@](CO)(COC(=O)c2ccc(Cl)cc2)C/C1=C\c1ccc(Cl)cc1 1857628857 NAQPRTABUZMXQG-YWMGUWEJSA-N 407.249 3.912 0 1 HHAF COc1cc2c(cc1OC)CN(C1CCC3(CC1)O[C@H](O)Cc1ccccc13)CC2 1857749269 FOVSXIWNEYKTCV-SILAFFCESA-N 409.526 3.791 0 1 HHAF O=C(Cn1cc(C(=O)C(=O)Nc2ccccc2)c2ccccc21)Nc1nccs1 1857752923 JZCIKVGWEOPWBW-UHFFFAOYSA-N 404.451 3.558 0 1 HHAF CCN(CC)CCNC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725476 XEKNUYWXNQGBTI-UHFFFAOYSA-N 416.227 3.622 0 1 HHAF CCn1nc(C)cc1C(=O)NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 20684112 UREQVZOLARBHNV-QHCPKHFHSA-N 422.504 3.716 0 1 HHAF CCCCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 26500609 WBVXHZXNJPFHMH-NHCUHLMSSA-N 409.438 3.710 0 1 HHAF CO[C@H]1C=C2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]2(C)CC1 38990967 LJZHYURIHAAOET-LTRIRULVSA-N 414.542 3.787 0 1 HHAF C[C@H]1C[C@H](OCc2ccccc2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40915536 LPXGVLHUXSTHPK-KXBFYZLASA-N 414.893 3.881 0 1 HHAF Cc1c(C(=O)NCc2ccc(Cl)cc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 64426344 PPENVEGWESLZHV-UHFFFAOYSA-O 413.668 3.992 0 1 HHAF CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82069099 JQXFOJJJVWBRAL-FQEVSTJZSA-N 405.498 3.907 0 1 HHAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCCc3ccc(O)cc3)c2cc1OC 82128832 RMMIDKMBRITLPB-QGZVFWFLSA-N 424.501 3.598 0 1 HHAF COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc1 82193313 DZTKOFKGEJBKKE-IRXDYDNUSA-N 421.588 3.648 0 1 HHAF c1ccc(CN2CCC(Nc3nccc(NCc4ccc5c(c4)OCO5)n3)CC2)cc1 84759509 PCQQLSGOOJZBEN-UHFFFAOYSA-N 417.513 3.894 0 1 HHAF C[C@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OC[N+]3=CC4=CC=NC4=C3)c2)CC1 85629155 NIJCVYNKWCBSHO-PDOGEWKWSA-O 421.517 3.533 0 1 HHAF biogenic,in-vitro CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 88260822 GPJZDFFHRGHLEJ-SFTDATJTSA-N 406.979 3.769 0 1 HHAF Cc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101377920 SLDZZPIBQBYWGZ-SZPZYZBQSA-N 402.494 3.732 0 1 HHAF Cc1ccccc1Oc1ccc2c(C#N)nc(C(=O)NCC(C)(C)C(=O)O)c(O)c2c1 146702634 QTKYWOJOSRQCSQ-UHFFFAOYSA-N 419.437 3.753 0 1 HHAF O=C(NCC[C@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166375448 WYMOJMMKMIBISK-MRXNPFEDSA-N 411.477 3.920 0 1 HHAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4cccc(C5CC5)n4)nc3n2)C1)N1CC=CC1 221403849 YMUMTYGFHATCQW-QGZVFWFLSA-N 414.513 3.512 0 1 HHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586940257 YFBJBDPJELXNLS-JTQLQIEISA-N 409.414 3.628 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnc3ccccc3c2[nH]1 586945259 DZOUSASCPCZYRE-OAHLLOKOSA-N 422.510 3.544 0 1 HHAF CC1=C(c2ccc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3c2)NNC(=O)C1 587081377 PFAKAICTAYNVQM-UHFFFAOYSA-N 409.877 3.572 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)nc12 587143986 GTYLNNCVKBFKME-UHFFFAOYSA-N 405.385 3.790 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4c(Br)ccnc4[nH]3)c2Cl)c1 587161167 LBESUGDRRHKQAV-UHFFFAOYSA-N 407.634 3.820 0 1 HHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCCC1 587395158 KPWNGSQCPRCPMA-OAQYLSRUSA-N 424.497 3.684 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 587746287 MCVFETIUBYLVFZ-NSPYISDASA-N 407.283 3.813 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 587747349 PYCDGFPHTPVKQQ-NSPYISDASA-N 407.283 3.813 0 1 HHAF COC(=O)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 587767800 BCTHXJSRMRJRQW-DYZYQPBXSA-N 418.266 3.646 0 1 HHAF COc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795152 QTQIXBJJZHDXQB-GIGQVBGESA-N 424.266 3.684 0 1 HHAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)cc3)O2)n1 653706715 OBBZBTLAMUCCRP-HSMRXVHUSA-N 409.891 3.791 0 1 HHAF CC(C)(C)C(=O)Nc1cnccc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730678 OVWTVRBDMFKQBT-NVXWUHKLSA-N 405.420 3.801 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1ccc(-n3ccnc3)c(F)c1)NCC21CCOCC1 963189605 POIINEXRVMAQOP-QFIPXVFZSA-N 423.488 3.769 0 1 HHAF CC=Cc1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356473216 XLISRJBFLZABKA-RNODOKPDSA-N 404.459 3.961 0 1 HHAF O=C(Cc1csc(-n2cccc2)n1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 2356763452 JTCLJYMUOBTSMU-VKUXKFIQSA-N 422.598 3.898 0 1 HHAF COc1ccc2[nH]cc(CCNc3cc(-c4ccc(C(=O)N(C)C)cc4)ncn3)c2c1 4266359 XJRNVWNTDWNGGP-UHFFFAOYSA-N 415.497 3.990 0 1 HHAF CC1(C)[C@]2(C(=O)N3NC(=O)[C@@H](c4ccccc4)[C@@H]3c3ccccc3)CC[C@@]1(C)C(=O)O2 4321899 LNKFTZROFCFJOY-QXVOXHNYSA-N 418.493 3.507 0 1 HHAF CC(=O)Nc1ccc(Nc2nc(C)nc3c2nnn3Cc2ccccc2Cl)cc1 4922273 BXTQQVFSPJWFCI-UHFFFAOYSA-N 407.865 3.933 0 3 HHAF CCCC[C@H](C)C[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCC[C@H](CC(=O)O)OC 2356687848 CQMVTHTYLSWGRI-SRGVLPFFSA-N 412.567 3.736 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2O 2356689729 WBQJPXJXRZZHSP-LDLUMPKVSA-N 402.443 3.675 0 1 HHAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc([C@@H](C)O)[nH]c1C 218994419 VPBWSWQGUNRKGK-MRXNPFEDSA-N 400.482 3.858 0 1 HHAF NCCCCCNc1nc(NCCc2ccc(O)cc2)nc(-c2ccc(F)cc2)n1 45371609 SLOLUFRSDBPPPI-UHFFFAOYSA-N 410.497 3.579 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccccc1[C@H](NC(=O)C(F)(F)F)C[C@H]2O 84604636 MISWPTCEGRYQCL-ZIAGYGMSSA-N 411.376 3.536 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@@H]3CC[C@]12C 40676929 ZMAIFLOHRXCDQS-XOJJANIASA-N 418.622 3.959 0 1 HHAF COc1cc(OC)c2c(c1)O[C@@]1(c3ccccc3)[C@H](c3ccccc3)C[C@@H](O)[C@@]21O 96903756 UBRTUKLELORQQM-MCWSDJLFSA-N 404.462 3.728 0 1 HHAF Cc1c(F)ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586943380 UGLCKUYGLKZNLC-UHFFFAOYSA-N 402.278 3.838 0 1 HHAF COc1cc2c3c(c1)OC1(C[C@H]4CN(C(=O)OCc5ccccc5)C[C@@H]4C1)[C@@H](C2)C3=O 587440737 BRWWTLZFLGFBPP-BJLQDIEVSA-N 419.477 3.860 0 1 HHAF COc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350929 SQNYZDQTQZOBQW-AUSIDOKSSA-N 405.381 3.746 0 1 HHAF Sc1nc(S)c2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2n1 587017721 NXUNPICRGMTVFL-UHFFFAOYSA-N 409.525 4.346 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4ncnc(Cl)c4[nH]3)cc2cc1Br 586998616 MGDCXYCYEYQMMR-UHFFFAOYSA-N 421.638 3.941 0 1 HHAF CCOC(=O)CSC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369159 DCVNJOPCIWWLPO-CTNGQTDRSA-N 404.459 3.945 0 1 HHAF O=C1CSc2ccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2N1 587043833 NQRXEJAOPACLON-UHFFFAOYSA-N 404.245 3.735 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CC(=O)OCC)c1Cl)CC2=O 587463399 YTPRBAPZLKVXBY-MRXNPFEDSA-N 406.866 3.773 0 1 HHAF C[C@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595706 QFIKNYUVEGECDM-HYBUGGRVSA-N 414.417 3.523 0 1 HHAF COc1cc(C(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587806210 IYHFZRFHPXJCRB-DYBLOJMWSA-N 424.266 3.927 0 1 HHAF CO[C@H](C)c1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587580623 SWWRETWSHGFRDH-YFMCZXFPSA-N 405.450 3.915 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587799848 ZDHWJXRGYMTJFX-OVWNDWIMSA-N 405.267 3.717 0 1 HHAF C[C@@]1(CN2C(=O)c3ccccc3C2=O)c2ccsc2CCN1Cc1cccnc1 963005091 GQDCYGVBGVCVQS-HSZRJFAPSA-N 403.507 3.713 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cc(OC(C)=O)cc(OC(C)=O)c1 963052009 ZYMMTQJWNLAWED-XMMPIXPASA-N 420.465 3.503 0 1 HHAF COc1ccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cn2)cc1 963238413 YUJWELBHPVWAAQ-BJKOFHAPSA-N 411.461 3.994 0 1 HHAF COC(=O)C[C@@H](C)[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441328 CHMUPUIEDFUEPO-YFYZNPQRSA-N 420.465 3.560 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(I)c2)C[C@@H]2CC[C@H]1N2C 13642589 BPVNLZVHXOKPAU-DRABBMOASA-N 419.690 3.684 0 1 HHAF O=C1NC[C@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 13982644 BRKOVFUTTJGJEO-MVERNJQCSA-N 422.544 3.952 0 1 HHAF COc1cc([C@@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)ccc1O 19550006 ZLKIBTOQISIPFV-QFIPXVFZSA-N 405.502 3.650 0 3 HHAF CC(C)[C@H]1CC(=O)N[C@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 209022898 WHWVTFZQJAFIJR-OPAMFIHVSA-N 413.522 3.642 0 1 HHAF O=C1Nc2cc(Cl)cc(Cl)c2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857568108 SXGWZNHFZFXRCA-UHFFFAOYSA-N 419.312 3.858 0 1 HHAF CC(=O)NCCc1c(-c2[nH]c3ccccc3c2CCNC(C)=O)[nH]c2ccccc12 1858496 AKOQBBHTVMWPFK-UHFFFAOYSA-N 402.498 3.673 0 1 HHAF CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCc1c[nH]c2ccccc12 2113131 GKOYFQGZTYMOAY-UGKGYDQZSA-N 405.523 3.875 0 1 HHAF biogenic CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@H](O)CC 4054599 BMSXVYQZQMJYNS-PBEJRMEISA-N 416.905 3.718 0 1 HHAF CCN(CC)CCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 5807604 UIVQCVUGAFSLNG-OUMCCJGNSA-N 412.574 3.858 0 1 HHAF CN1CCN=C1c1ccc(OCCCCCOc2ccc(C3=NCCN3C)cc2)cc1 5966611 ARPSLSQJTOTQKT-UHFFFAOYSA-N 420.557 3.699 0 1 HHAF O=C(NCCCOc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 13589122 MJBUJFFOUVIABW-UHFFFAOYSA-N 404.510 3.923 0 1 HHAF O=C(O)CCc1cc(CCS(=O)(=O)c2ccccc2)cc(Cc2cccnc2)c1 13765938 HOJVQVXWXVDWQZ-UHFFFAOYSA-N 409.507 3.706 0 1 HHAF O=C(O)Cc1nn(Cc2nc3cc(Cl)c(Cl)cc3s2)c(=O)c2ccccc12 13860767 KWHVPRMPKWTOGS-UHFFFAOYSA-N 420.277 3.988 0 1 HHAF O=C1N[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1 26574488 ODXMEYPZMXTXEP-CQSZACIVSA-N 415.696 3.558 0 1 HHAF Cc1cc2c(cc1Cc1cccc(Cl)c1Cl)c(=O)c(C(=O)O)cn2CCO 33818059 WBSJEVXLQLNTQL-UHFFFAOYSA-N 406.265 3.898 0 1 HHAF S=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc21)Nc1ccccc1 43527596 IWUNHCQYRXSHDE-KCZVDYSFSA-N 406.599 3.746 0 1 HHAF biogenic CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 49054582 MBHKGHDNJWASRA-SFHLNBCPSA-N 424.589 3.545 0 1 HHAF COc1cc(/C=C2\NC(=N)N([C@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 58591601 HWSBKMRAUMWKMJ-SMLKNPDNSA-N 419.460 3.797 0 1 HHAF O=C(O)C1CCC(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 59081411 DESXZXZGHZRVNQ-UHFFFAOYSA-N 405.491 3.908 0 1 HHAF CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2cc(C(=O)O)n(O)c2c1 73163438 WTDHRCPPYZUMPS-UHFFFAOYSA-N 415.254 3.709 0 1 HHAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 82082914 BNSGCJNMLAEURU-CQSZACIVSA-N 423.966 3.905 0 1 HHAF CN(C)Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1 84671478 LKPXEHJKFNZHQC-UHFFFAOYSA-N 421.570 3.534 0 1 HHAF Cc1nn2c(O)cc(N3CCO[C@@H](C)C3)nc2c1Cc1cccc(C(F)(F)F)c1C 95583312 VZSYJSAWWUGRMT-LBPRGKRZSA-N 420.435 3.886 0 1 HHAF CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4ccc(N)nc4c3)CC1)C2 95584111 KKVZVNLGEFFDIU-UHFFFAOYSA-N 417.513 3.646 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc(-c2cc(=O)cc(C)o2)cc1 103213082 JSNMKIAPFVDYAS-JOCHJYFZSA-N 423.465 3.586 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 104634662 OFKNZQVVDSXAEA-PMAPZHQJSA-N 418.537 3.943 0 1 HHAF Cc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1C 116673910 ZXPNZQJDVDZJGL-UHFFFAOYSA-N 421.501 3.900 0 1 HHAF CO[C@]1(COc2cc(F)cc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 117670131 JEKGYBBSKUISTO-HSZRJFAPSA-N 421.476 3.621 0 1 HHAF Cc1nc([C@@](C)(CC2CC2)NC(=O)c2cc(O[C@H](C)CF)c(C3CC3)cn2)no1 146280786 AQBSFPKMGMIOKK-XUSGNXJCSA-N 402.470 3.833 0 1 HHAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cncs4)c3CCN12 149147111 JEVQKQPQVOOHMD-UHFFFAOYSA-N 401.495 3.570 0 1 HHAF COC(=O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)c1 169340910 KUGPPYYDKQKLSH-UHFFFAOYSA-N 421.434 3.799 0 1 HHAF O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 205124300 QLMGEKZPUJMLKW-SFHVURJKSA-N 420.488 3.705 0 1 HHAF CC1(OCc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)CCC(F)(F)CC1 216239787 YTTUNDLVIUJJOG-UHFFFAOYSA-N 413.845 3.653 0 1 HHAF COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1OCC(=O)O 299837411 QSRVAEUKHQBJSC-UHFFFAOYSA-N 420.421 3.663 0 1 HHAF O=C(OCc1ccccc1)OC[C@@H]1[C@@H](OC(=O)OCc2ccccc2)CC[C@H]1O 299854977 BXPMQLVOWWAPFI-ZCNNSNEGSA-N 400.427 3.833 0 1 HHAF O=C(NCCCCNC(=O)c1c[nH]c2ccccc12)c1cc(-c2ccccc2)on1 473086414 HVXDESHIGLTSIS-UHFFFAOYSA-N 402.454 3.763 0 1 HHAF COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccccc4F)cc3)c2c1 473154791 LUUAGTRYWAFYQI-UHFFFAOYSA-O 404.465 3.624 0 1 HHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 586935961 KKSSIVSMBVJHIY-JTQLQIEISA-N 423.336 3.773 0 1 HHAF N[C@@H](N=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587001909 AJKRZKIPXIQRJQ-YPMLDQLKSA-N 415.247 3.685 0 1 HHAF COC(=O)c1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587113541 PTEKYMOUXGEEFW-IBGZPJMESA-N 405.376 3.768 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587125718 SQKBHEOAWOXZPU-BMIGLBTASA-N 407.396 3.840 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 587344523 GXSYDEPYABMEHR-NZQKXSOJSA-N 401.397 3.952 0 1 HHAF COC(=O)[C@@H]1CSCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587373708 MZBVEMRGUSSCQL-MDKPJZGXSA-N 402.443 3.555 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1I)[C@@H](C2)C3=O 587426756 FNQNSJBBPZAUOH-GTNSWQLSSA-N 410.182 3.928 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O 587438410 PADCCZSIJFPLNN-YIEPVFBUSA-N 407.466 3.860 0 1 HHAF Cc1cc(Br)ccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O 587651320 QMIJHYVJWOYUOL-UHFFFAOYSA-N 407.651 3.840 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587764476 QCUUYIAWTFUJCV-IEIIEHMNSA-N 407.331 3.658 0 1 HHAF COc1ccc2c(c1OC)[C@@](CC1OCCO1)(c1ccc(F)cc1F)N(C)[C@@H](C)C2 962625455 FCHNOYOWQFUIOC-LFVRLGFBSA-N 419.468 3.865 0 1 HHAF Cc1ccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)[C@H](F)C3)C2=O)cc1F 1772608359 LAKBGWVRKNIOGO-KSEOMHKRSA-N 400.469 3.768 0 1 HHAF c1nc(S[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 1772626906 SOISPNUZJQEUFT-QAQDUYKDSA-N 402.564 3.587 0 1 HHAF CCS[C@@H]1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C(=O)O 1857551486 BADJWTFIGALPJK-HSALFYBXSA-N 419.568 3.953 0 1 HHAF Cc1ccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)cc1F 1857560396 CUCWBEYGCLXEQT-UHFFFAOYSA-N 415.472 3.950 0 1 HHAF Cc1ccc(CN2C(=O)CSc3ccc(C(=O)NCc4cccnc4)cc32)cc1 8450260 AWFHVKAFKUBFFB-UHFFFAOYSA-N 403.507 3.959 0 1 HHAF CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1 13537841 UDJFNUQDJAQEGK-MRXNPFEDSA-N 415.444 3.543 0 1 HHAF CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2[C@H]1O3 26150475 WENKIEOMTSYROD-JOCHJYFZSA-N 408.454 3.811 0 1 HHAF CCOC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26381155 RBXBHLDVTZXKBF-UHFFFAOYSA-N 410.348 3.883 0 1 HHAF O=C(OCCCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 27556774 FROQCGUHFCMLBP-OAQYLSRUSA-N 401.528 3.796 0 1 HHAF CN1CCC(N2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)CC1 27766492 OTEIPIKSSXAOES-UHFFFAOYSA-N 412.331 3.727 0 1 HHAF COc1ccc(Sc2ccc(OC)cc2N2C[C@@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28363771 XUKXXBVOWRNHFL-CVEARBPZSA-N 416.543 3.839 0 1 HHAF C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 28948433 CQANIXYUUUXTBI-YJYMSZOUSA-N 415.877 3.817 0 1 HHAF O=C1O[C@](CO)(COC(=O)c2ccc(C(F)(F)F)cc2)C/C1=C/c1ccccc1 40379800 USJXJTVCJXEYAW-IKXXZMEWSA-N 406.356 3.624 0 1 HHAF CC[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 62233292 IRSJHEFJLQWQEF-OAHLLOKOSA-N 408.454 3.589 0 1 HHAF COc1ccc2c(c1)C[C@@H](c1nc3c(OC)cc(-c4cn[nH]c4)cc3c(=O)[nH]1)CC2 66074387 LGWIAPZIPKKEQA-AWEZNQCLSA-N 402.454 3.603 0 1 HHAF CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2nc(Cc3cccc(Cl)c3F)ccc21 66100294 PBFULQCMSXEAJQ-QGZVFWFLSA-N 418.852 3.667 0 1 HHAF Cn1cc2c(nc(NCc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 95578520 FSPHFYJVKIBWCA-UHFFFAOYSA-N 413.363 3.902 0 1 HHAF OC[C@H]1[C@@H](c2ccc(-c3ccncc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95873889 PXFCYAIBXSRYMU-GSDHBNRESA-N 414.553 3.568 0 1 HHAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC1 96172301 QNOUGTCNBFZHFV-RTWAWAEBSA-N 418.368 3.880 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175275 PPRBSDCAAZRDHI-MGPUTAFESA-N 418.522 3.750 0 1 HHAF Nc1ncc(-c2ccc(C3(c4noc(-c5cnccc5Cl)n4)CCC3)cn2)cn1 96175493 IWIXNJXZDAFRBI-UHFFFAOYSA-N 405.849 3.689 0 1 HHAF CCOC(=O)C1=C(C)NC(=O)N(C)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 96270341 HISJWAKJMJWQPT-NRFANRHFSA-N 410.470 3.807 0 1 HHAF O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ncccc2Cl)cc1 113159933 IACXMQOTFFSZDU-UHFFFAOYSA-N 402.859 3.829 0 1 HHAF CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)[nH]n3)c2)ncn1 201331993 IYZHAODMWGNNJB-UHFFFAOYSA-N 417.473 3.798 0 1 HHAF O=c1[nH]c2ccc(O)c(-c3ccc(CN4CC[C@H](O)C4)c(F)c3)c2c2ccsc12 204568325 SLQZMFLVKZULOP-AWEZNQCLSA-N 410.470 3.821 0 1 HHAF COc1ccc(OCCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 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417.417 3.988 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1NCc1ccccc1)[C@@H](C2)C3=O 587422811 UWBMTRVSBYHYMZ-YWZLYKJASA-N 407.857 4.239 0 1 HHAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C(F)F 587655347 CRCNTVVAKJLDOG-UHFFFAOYSA-N 416.334 3.930 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 587773018 HESPVOVPWPSSFD-YBTHPKLGSA-N 412.262 3.613 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O 587792911 LVMUWOBIACKSAG-GIGQVBGESA-N 424.266 3.684 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587798120 XMIPUAMQGFCFKB-NSPYISDASA-N 408.267 3.984 0 1 HHAF COc1ccc([C@@]2(COC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587806313 HSGZEAQEZSVFBJ-MPBGBICISA-N 422.294 3.938 0 1 HHAF O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587945795 QDHOYJTZNWHULB-CQSZACIVSA-N 419.336 3.602 0 1 HHAF CCOC(=O)[C@H](NC(=O)c1coc(-c2ccc(OC)c(OC)c2)c1)c1ccccc1 621430217 NJELREVQKOVESH-OAQYLSRUSA-N 409.438 3.998 0 1 HHAF 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OWPUYGSNYLEHIB-GGAORHGYSA-N 421.449 3.954 0 1 HHAF Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(F)(F)C5)cc34)cc2)cn1 653823887 XZWGYUDHWRFVLU-UHFFFAOYSA-N 419.435 3.976 0 1 HHAF COc1ccccc1C(=O)N1Cc2cc(NC(=O)c3ccccc3)ccc2CC1=O 1857639212 CDSXZKIEHDOCCP-UHFFFAOYSA-N 400.434 3.673 0 1 HHAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1c1c(Cl)c2cc(C)cc(C)c2oc1=O 1911577905 IUUXNRISIXEKCT-INIZCTEOSA-N 406.818 3.515 0 1 HHAF CC(C)NC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@H]1O 2356408670 LWROPTZCTLZFDI-BSEPRXNOSA-N 408.627 3.891 0 1 HHAF C=C1O[C@@H]([C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2ccc(OC)c(OC)c21 2356590646 XKIFTXQTBJZSEZ-VQTJNVASSA-N 411.454 3.712 0 1 HHAF Cc1cccn2c(CN(C)[C@@H]3CCCc4ccccc43)c(C(=O)N3CCOCC3)nc12 13596213 LTIGODGNRWBXHN-OAQYLSRUSA-N 418.541 3.625 0 3 HHAF CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1 61936253 VICNPEWUIYASSM-UHFFFAOYSA-N 415.534 3.898 0 3 HHAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc2nsnc12 199717679 PDGVRQWWBJSXLI-KRWDZBQOSA-N 414.918 3.656 0 3 HHAF CS(=O)(=O)c1ccc(-c2ccc3c(c2)N(CCc2ccccc2)C(=O)COC3)cc1 205222697 OEXACGYAYQPUMQ-UHFFFAOYSA-N 421.518 3.863 0 3 HHAF COc1ccc(C2=NN(CCCCCC(=O)O)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26571956 OTWDFHFFUNOBLA-IAGOWNOFSA-N 402.491 3.702 0 1 HHAF N=C(N)c1ccc(N2CCCCN(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 26653594 PBKFFWDROFXKDQ-UHFFFAOYSA-N 405.546 3.657 0 1 HHAF COCn1cc([C@](O)(C(=O)O)C(F)(F)F)c2cccc(OCc3ccccc3)c21 28961348 FEPAXXHRCVGCSS-IBGZPJMESA-N 409.360 3.659 0 1 HHAF O=S(=O)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 35278970 DVEBXLWTIWPHPE-UHFFFAOYSA-N 406.511 3.713 0 1 HHAF C[C@H](NCCc1nc(C(=O)O)cc2c3ccccc3n(Cc3ccccc3)c12)C(=O)O 45291704 VGARINJXJJABSY-HNNXBMFYSA-N 417.465 3.541 0 1 HHAF CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)CN(C)[C@H]2c1ccc(Cl)cc1)C(=O)OC 62213039 CUPIZYRWWZBTQB-SNRMKQJTSA-N 421.969 3.706 0 1 HHAF O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21 64549008 HCCHXMMABQRBMV-UHFFFAOYSA-N 401.510 3.674 0 1 HHAF COc1nc2c(C)cccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 73240843 HDMWDEDTFOUYQQ-UHFFFAOYSA-N 405.502 3.918 0 1 HHAF O=C(Cc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 84671040 YNPWPCIYPGTMBV-UHFFFAOYSA-N 400.526 3.628 0 1 HHAF C[C@]1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)N=C(N)OC[C@@H]1F 169702939 AVJOFNVVARWCHZ-SUMWQHHRSA-N 415.227 3.678 0 1 HHAF CCO[C@H](c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 207098038 MZDSAMHORBRGMM-GOSISDBHSA-N 411.955 3.858 0 1 HHAF COc1ncc(F)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225113520 DRBUBNZHCVSQLV-UHFFFAOYSA-N 416.459 3.702 0 1 HHAF Cc1ccc2nc(Sc3nnc(N)s3)n(-c3ccc(Cl)cc3)c(=O)c2c1 299831016 NGKKZQINYKPWRC-UHFFFAOYSA-N 401.904 3.932 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 586935852 JFACSIMMQRRZPD-ZDUSSCGKSA-N 410.952 3.692 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587126107 VHBOIYWUQXFTAE-LKFCYVNXSA-N 413.425 3.528 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4cncc(Br)c4[nH]3)c2Cl)c1 587161124 KINVOAKQPJRHPO-UHFFFAOYSA-N 407.634 3.820 0 1 HHAF Cn1ccnc1[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340439 HRPWWAMIHBJAOH-URXFXBBRSA-N 422.456 3.946 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1)[C@@H](C2)C3=O 587448093 BMABLFMFSVKPLX-UJFGGOPNSA-N 410.466 3.548 0 1 HHAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589352 UVMKALZHHBSTJO-DOXZYTNZSA-N 409.438 3.876 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587742737 MFMBEDQEKJYVHF-UFYHVXEKSA-N 421.310 3.725 0 1 HHAF CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C 587774471 ODDYSPIIAUVQGK-GIPWTMENSA-N 403.295 3.905 0 1 HHAF CC[C@@]1(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC(=O)c2ccccc2C1 587960318 KTPOTETWHOZNEY-QFIPXVFZSA-N 411.527 3.581 0 1 HHAF CN(C)Cc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)cc1 962638281 SOAIYNOQOZSVRD-ICSRJNTNSA-N 408.420 3.509 0 1 HHAF CCn1ncc([C@]2(CC(=O)C(F)F)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1C 962638650 XDSQDRHRIYGBAZ-XMHCIUCPSA-N 421.488 3.573 0 1 HHAF CCOC(=O)C1=C(CSC(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccccc1 1772622963 IBCJHRJWHHWKLA-LJQANCHMSA-N 410.495 3.740 0 1 HHAF Cc1ccc2c(=NC(=O)c3conc3C)[nH]n(Cc3ccc(C(F)(F)F)cc3)c2n1 1857548358 MWWVHJVRVXPDBZ-UHFFFAOYSA-N 415.375 3.777 0 1 HHAF Cn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)c2ccccc21 1857555143 ACAOSAQYRNDXDE-UHFFFAOYSA-N 404.491 3.888 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 1857583132 HRIGHPKJBOCXKN-BONDPLATSA-N 412.618 3.661 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356810800 BBQNKFCDPDYHLC-MWLWPVLXSA-N 422.606 3.681 0 1 HHAF CC[C@H](C[C@H](CC=C[C@H](O)c1ccc(O)cc1)S(=O)(=O)O)c1ccc(O)cc1 2356818369 DTCNCUANKHRPPV-NQERJWCQSA-N 406.500 3.918 0 1 HHAF CCCN1C(=O)C(C[C@@H](C)[C@H]2NCCc3c2[nH]c2ccccc32)C(=O)N(CCC)C1=O 103017500 ODYWGEOYZWHBHN-FOIQADDNSA-N 424.545 3.608 0 1 HHAF COCCNC(=S)NNc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 58506624 DABIXQYERJNZTD-UHFFFAOYSA-N 412.359 3.710 0 1 HHAF CNc1ccc(-c2cc(=O)c3cc(OCCOCCOCCF)ccc3o2)cc1 101591841 HCQFMSRDUZNKMP-UHFFFAOYSA-N 401.434 3.883 0 1 HHAF C[C@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(Cl)cc2)CC1 28952126 NFGNMJPMZYHRDW-QRQCRPRQSA-N 414.933 3.630 0 1 HHAF CS(=O)(=O)Nc1cccc(CN2CCC[C@H](Nc3cccc4cnccc34)C2)c1 114332328 JVACKTOSODNYNH-FQEVSTJZSA-N 410.543 3.683 0 1 HHAF COc1cc(-c2nnc([S@](=O)Cc3ccccc3Cl)o2)cc(OC)c1OC 29123262 VEZVTZRCCCWUGG-MHZLTWQESA-N 408.863 3.724 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)C[C@H]3CC[C@@H](CO)[C@@](N)(C2)[C@H]31 2356558961 RVTXERZIRMACGH-QJLLZMIFSA-N 413.606 3.517 0 1 HHAF CC(=O)O[C@H]1CC2=C(COC2=O)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 2356581981 RTPXSUTVUHNKEI-BXRRTEDTSA-N 418.530 3.966 0 1 HHAF CC(C)N1CCC(NC(=O)c2ccccc2CNC(=O)c2ccc(Cl)s2)CC1 66076890 QJLGNAOPOSVVSJ-UHFFFAOYSA-N 419.978 3.934 0 1 HHAF CC[C@H]1[C@@H](OC(=O)Nc2ccc3c(c2)OCO3)C[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23 36383089 QBXDGBWXLBERLX-QXAROUDSSA-N 400.475 3.780 0 1 HHAF CC(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 35087214 FDMYJNWCSOBKCE-UHFFFAOYSA-N 410.857 3.787 0 1 HHAF Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2[nH]1 72177113 PVWVKEGLRZSIHY-UHFFFAOYSA-N 417.853 3.800 0 1 HHAF O=C1N[C@@H](c2c[nH]c3cc(Br)ccc23)CN[C@@H]1c1c[nH]c2ccccc12 15266902 ZUARLAYXSWWXPU-RTBURBONSA-N 409.287 3.914 0 1 HHAF biogenic CCCCOCCCNC(=O)[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C 82069998 SEOSMZHZIJVIAG-HXUWFJFHSA-N 415.534 3.727 0 1 HHAF CC(C)[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82206591 DWZZARAQNPGDJL-INIZCTEOSA-N 423.344 3.637 0 1 HHAF CC[C@H](C)[C@H](NC(=O)c1ccc(N)c(OCCc2c[nH]c3ccccc23)c1)C(=O)O 84758814 OYKCKJNJSWOUQL-QKKBWIMNSA-N 409.486 3.601 0 1 HHAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC[C@H]2c2ccccc2)C1 143942059 DLDDLRPZHCIYSM-NRFANRHFSA-N 424.508 3.934 0 1 HHAF Cc1cc(C)nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 147498349 HLSIURZZWQUMHC-SJLPKXTDSA-N 417.517 3.877 0 1 HHAF COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@H](CC[C@@]52COC(C)=O)[C@@H]63)CC[C@@H]41 238768973 MKTDIBSWZNDBPU-BIXULQHBSA-N 413.558 3.576 0 1 HHAF CCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 96284488 PDEAKHQWPNWDTL-UHFFFAOYSA-N 408.502 3.545 0 1 HHAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377838559 CEPPUPBCQYPOIC-UHFFFAOYSA-N 405.686 3.975 0 1 HHAF COc1cc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)n1 299833064 NORCRZDORGFXKI-GOSISDBHSA-N 419.464 3.984 0 1 HHAF CCOC(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590386 ZRNVGBMUWUNAGD-REWPJTCUSA-N 405.406 3.598 0 1 HHAF O=C(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023471 BYGCYCVNPTTXGK-UHFFFAOYSA-N 420.832 3.979 0 1 HHAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754283 JJLDVCSBKQBNEM-MRRFBWAASA-N 407.327 3.983 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc2c(c1)OCO2 587868952 XZMPTLAJNYARDC-UHFFFAOYSA-N 406.320 3.781 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc(C)c2[nH]1 586956345 HIGXPFYNDNIKGG-UHFFFAOYSA-N 420.494 3.693 0 1 HHAF CC[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 587185855 PFUPFYYVIHOHNN-SECBINFHSA-N 419.629 3.859 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(CO)cc3[nH]1)C(=O)OC2 586916209 WWAPBVCUAOMQBG-PQMHYQBVSA-N 422.481 3.870 0 1 HHAF O=C1C[C@@H](c2nc3c(Br)ccnc3[nH]2)CN1Cc1ccc(F)cc1F 587151406 ZCWPOINMFFFKHN-SNVBAGLBSA-N 407.218 3.515 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1c[nH]c3ccc(OC)cc13)CC2=O 587480574 DEWPGEKMWKLIKQ-HSZRJFAPSA-N 409.438 3.868 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 587123446 IJLHAEBJIUKHTN-SJKOYZFVSA-N 420.439 3.566 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(I)n[nH]c3c1)O2 587386048 HOBATNHXUUIAHD-OAHLLOKOSA-N 419.222 3.765 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587195523 LDSQTWWACHSTQU-OAHLLOKOSA-N 400.548 3.811 0 1 HHAF O=S(=O)(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc2c(c1)CCC2 586920633 OFESNOLNGVHHTE-UHFFFAOYSA-N 410.417 3.967 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCCC[C@H]1C(C)=O)N(C(=O)c1ccccc1N)CC2 963144348 MJCMZWBAQMFUIB-DFBJGRDBSA-N 422.525 3.959 0 1 HHAF c1ccc([C@]2(c3ccc(C4OCCO4)s3)NCCc3nc4ccccn4c32)cc1 962981271 FWLWBOHCCWJTCR-HSZRJFAPSA-N 403.507 3.879 0 1 HHAF CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CCCC4)c3c2F)C1 5843397 YTFLEBJQRSWDNB-ZDUSSCGKSA-N 419.472 3.529 0 1 HHAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c(Cl)[nH]1 1857551048 QFQDDBBCCDURLZ-INIZCTEOSA-N 401.898 3.981 0 1 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 4045364 UTJZWHQMCJFVKZ-GGAORHGYSA-N 419.481 3.633 0 1 HHAF O=C(Nc1ccc(F)cc1)c1nc(O)c2nnn(Cc3cccc4ccccc34)c2n1 13544824 GRAIEXJMQFFORG-UHFFFAOYSA-N 414.400 3.520 0 1 HHAF O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C[C@H]2CCOC2)CC1 15065730 NMLGDSJTBBTEGV-OAHLLOKOSA-N 403.914 3.854 0 1 HHAF O=C1NC[C@H](c2c[nH]c3cc(Br)ccc23)N[C@@H]1c1c[nH]c2ccccc12 15266937 BAHAHDZOJKHNMC-RTBURBONSA-N 409.287 3.914 0 1 HHAF biogenic O[C@@H](CNCCc1ccncc1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1 26017369 QJXVVBUURFUXIH-IBGZPJMESA-N 420.538 3.772 0 1 HHAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccccc3OC)CC1)OCCC2 27737436 LDWWZLFQDGEPKI-XMMPIXPASA-N 412.530 3.539 0 1 HHAF CCSc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 28472750 AMKXUZPXWZQGGA-IDLUEMFASA-N 409.573 3.806 0 1 HHAF O=S(=O)(c1cccc(Br)c1)c1cn([C@@H]2CCCNC2)c2ncccc12 28862352 OOEODGKGTGXKMD-CQSZACIVSA-N 420.332 3.556 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820790 MIHNUBCEFJLAGN-LQBOHOEBSA-N 406.563 3.657 0 1 HHAF CNc1nccc(-c2ccc(C(=O)NCCc3ccc(Br)cc3)s2)n1 34642183 GMHIHHJFPKGLTE-UHFFFAOYSA-N 417.332 3.982 0 1 HHAF COc1ccc(Cn2nccc2[C@@H](C)NS(=O)(=O)c2ccc(Cl)s2)cc1 45284359 OBIISFARWOQBOD-GFCCVEGCSA-N 411.936 3.694 0 1 HHAF CCCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081246 GCEGHQGCSNNTJF-INIZCTEOSA-N 419.547 3.578 0 1 HHAF Cc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4F)cs3)CC2)c1C 95581270 HAPFWDBYHLYTNT-UHFFFAOYSA-N 401.467 3.908 0 1 HHAF CCOCCCCCCCCCc1cc2cn([C@@H]3CC[C@H](CO)O3)c(=O)nc2o1 95582348 OTULKMFNZITGKT-UXHICEINSA-N 406.523 3.969 0 1 HHAF O=C(C1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877361 NIYISRRIBSVVNJ-WTIAFYNJSA-N 410.489 3.595 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(CN)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 103254069 SMIYUCPWBHRIOY-PJKONWPJSA-N 418.581 3.930 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ncccc3[C@@]12c1ccc(Cl)cc1 115092213 IAIGFORPYOIBOB-QFIPXVFZSA-N 407.832 3.687 0 1 HHAF Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)C[C@H]3C)cccc2n1 118595483 MSFUUIPBIBJYNX-GOSISDBHSA-N 416.525 3.627 0 1 HHAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)CCCCN3S(C)(=O)=O 149551291 RFAHQIDQLYBZIO-UHFFFAOYSA-N 416.474 3.701 0 1 HHAF CC1(C)[C@H]2CC=C(COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@@H]1C2 225213103 HUFDYNAMXWEISF-AAEUAGOBSA-N 401.887 3.540 0 1 HHAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)ncc2[nH]1 586946114 NUORDUVMRNCKEO-UHFFFAOYSA-N 410.933 3.880 0 1 HHAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 587013035 WASRPZCWMWMPST-UHFFFAOYSA-N 404.904 3.963 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(O)c2[nH]1 587194851 YPHKWKDVFTVHGK-LBPRGKRZSA-N 413.316 3.549 0 1 HHAF CN(C)C(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574847 ZDWNDHYCLLSAFM-URXFXBBRSA-N 419.433 3.562 0 1 HHAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 587606203 CGIPYFOZDWDXIV-REWPJTCUSA-N 406.390 3.875 0 1 HHAF Cc1nc(N2CCOCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613539 POJVVCLBQBZFAU-PXNSSMCTSA-N 424.478 3.697 0 1 HHAF C/C(=C\[C@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587738779 CTJJYDUPNRCVKX-WHTWISEVSA-N 405.315 3.621 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587756348 KHBAQGBNWVMZEK-DGIBIBHMSA-N 424.314 3.588 0 1 HHAF COc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1O 587786967 OMMQADBWVYASOG-UHFFFAOYSA-N 401.591 3.597 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1OCCO2 587832805 CZIDNTJQEAYPMJ-MGNBDDOMSA-N 408.267 3.992 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 587834518 LBZJTUSRCDMYQJ-YPMLDQLKSA-N 408.267 3.992 0 1 HHAF CCOC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963221828 FVRASWIJUFFQHW-FPOVZHCZSA-N 415.449 3.581 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1n[nH]c2cccc(Br)c12 963635663 NKEHILZJLLOOGP-MGNBDDOMSA-N 402.292 3.966 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCc1cccnc1)CC3 1772607483 OIMCNUGCMIZFKI-GOSISDBHSA-N 402.523 3.548 0 1 HHAF O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356287965 STTCFZFHIZVSGA-SFHVURJKSA-N 421.394 3.607 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 95569330 RUFLRZDMEOXJKQ-SFHVURJKSA-N 409.866 3.714 0 3 HHAF Cc1ccc(C2=NCC(=O)N(CC(=O)N3CCCCC3)c3sc(C)c(C)c32)cc1 4169314 SXRDACATEGJKJC-UHFFFAOYSA-N 409.555 3.870 0 3 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H]2CCC[C@@H]1N2Cc1ccc(F)cc1 53296235 KBMHZDMOELXKBL-XPGWFJOJSA-N 417.912 3.995 0 1 HHAF CN(C)c1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103241861 XAPVMFDRNUGWRP-UHFFFAOYSA-N 418.520 3.775 0 1 HHAF O=C(c1ccc(F)cc1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 27555462 VZDMQRXAVMHRKZ-UHFFFAOYSA-N 406.392 3.579 0 1 HHAF CC(C)c1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1 66103975 MWXIMGVCDZMSPD-CWKRKGSWSA-N 415.917 3.620 0 1 HHAF COc1cc2c(cc1OC)CN(C(=O)c1c(-c3cccs3)noc1[C@@H](C)O)CC2 2356628899 KKZYIVRUYIDHJB-GFCCVEGCSA-N 414.483 3.672 0 1 HHAF O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)CCc2cccnc21 38346496 ADMTUTZDAMUJSX-PZQWHJIPSA-N 404.913 3.710 0 1 HHAF CCSc1cc(=O)c2cc(F)c(N3C[C@@H]4CCCN[C@@H]4C3)c(OC)c2n1C1CC1 72175897 OIZLEQAYIOEKIO-SUMWQHHRSA-N 417.550 3.784 0 1 HHAF COC(=O)[C@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52COC(C)=O)[C@H]63)CC[C@@H]41 238778556 MKTDIBSWZNDBPU-KRQLKEJZSA-N 413.558 3.576 0 1 HHAF Cc1cn(S(=O)(=O)c2ccc(F)c(NC3CCN(C)CC3)c2)c2ccccc12 95575722 MQFAKPMTINANJJ-UHFFFAOYSA-N 401.507 3.832 0 1 HHAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)[nH]2)cc1 147421459 BFHDCJINGRBYBF-UHFFFAOYSA-N 414.487 3.618 0 1 HHAF COc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1NC1CCN(C)CC1 95566163 BERANIUUNHTJOI-UHFFFAOYSA-N 417.506 3.532 0 1 HHAF COc1cccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@@H]3[C@]2(C)CO)c1 43554369 LTVRENYEGNIEJW-UMAOWIGISA-N 417.502 3.753 0 1 HHAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587730555 JKIOPHYWNCOZKF-AYLIAGHASA-N 422.225 3.866 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)cnn2C)N1 587676882 GMYQORXTROJYNC-AYVTZFPOSA-N 417.120 3.882 0 1 HHAF Cc1cc(C)n(C[C@@H](C)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)n1 587923624 BANCRLQBIJEABP-CYBMUJFWSA-N 404.561 3.823 0 1 HHAF Cc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Cl 586942569 NDETVJDNALPBAS-UHFFFAOYSA-N 420.741 3.827 0 1 HHAF O=C1C[C@H](c2nc3c(Br)ccnc3[nH]2)CN1Cc1ccc(F)cc1F 587151404 ZCWPOINMFFFKHN-JTQLQIEISA-N 407.218 3.515 0 1 HHAF COC(=O)c1ccnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 587165799 FSGKXAKHWKCQJB-UHFFFAOYSA-N 407.430 3.851 0 1 HHAF COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789532 CLRFJWCGZRWHCQ-WYRIXSBYSA-N 408.267 3.764 0 1 HHAF CC1=C(c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)NNC(=O)C1 587079527 ISCJAHHAOMRESX-INIZCTEOSA-N 420.904 3.696 0 1 HHAF CN(C)CCOc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996612 WSLITDKSUHZZNV-UHFFFAOYSA-N 403.324 3.920 0 1 HHAF CC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962637268 RBGRUTFDTFFBSZ-UOXRKKOCSA-N 407.388 3.653 0 1 HHAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963029274 NHFRNSUWKXMYQL-WIRVKHDMSA-N 412.917 3.640 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC[C@H]2CCOC2)cc1F 1772655089 FNDAXQFHRLFJSB-NSHDSACASA-N 419.931 3.965 0 1 HHAF CC1(O)CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772596682 GBCYQDYWDUJCNT-UHFFFAOYSA-N 403.360 3.648 0 1 HHAF CON(C)C(=O)N1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 13558280 ZCNJLWQOHSNDFX-RVDMUPIBSA-N 424.563 3.977 0 1 HHAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCO[C@H](O)C1 13781973 JZXYCRJWCYISME-DEOSSOPVSA-N 414.505 3.985 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 2493226 OFKNZQVVDSXAEA-YMIBPACWSA-N 418.537 3.943 0 1 HHAF CC(C)[C@H]1CN(C(=O)OCc2ccccc2)[C@@H]2N1C(=O)[C@@]2(C)OCc1ccccc1 1631557 DWEHYYMYUHOBEE-LGVFNWMJSA-N 408.498 3.807 0 1 HHAF O=C1C[C@@H](c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2ccccc2Cl)CC1 103155080 UGLZGHZOMPBLMF-KRWDZBQOSA-N 418.324 3.616 0 1 HHAF COc1ccc(C2=NN(CCCCCC(=O)O)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26571959 OTWDFHFFUNOBLA-SJORKVTESA-N 402.491 3.702 0 1 HHAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@@H](C)[C@]12O 2356560368 XFMQQRAGUVWJNG-ASUFKYFFSA-N 416.558 3.988 0 1 HHAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(OC)c3)cc21 72114507 IRUKUCCIVWCSLV-SFHVURJKSA-N 411.454 3.525 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCC[C@H](O)C1)C(=O)N2 219258952 UXFXOEGGFKVCDW-YADARESESA-N 403.482 3.611 0 1 HHAF O=C(O)Cc1ccn(-c2cncc(-n3ncc4ccc(NC5CCCC5)cc43)n2)c1 43169397 YQTMYRNBXJDYDN-UHFFFAOYSA-N 402.458 3.588 0 1 HHAF in-vitro CCN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc(C)c1 82216827 VTHPGFWOQDOFPR-UHFFFAOYSA-N 404.470 3.885 0 1 HHAF Cn1cc(-c2cc(OCCCO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144855397 HSHPOEXORPMYDN-FQEVSTJZSA-N 404.388 3.627 0 1 HHAF COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC 146230549 BNPMNIBMJDEQFP-RHSMWYFYSA-N 422.481 3.831 0 1 HHAF O=C(Nc1c(Cl)cncc1Cl)c1ccc(CO)n2nc(C(F)(F)F)cc12 96933202 UFEHEJFNANDFOX-UHFFFAOYSA-N 405.163 3.800 0 1 HHAF CC1(C)Oc2ccc(-c3cccc4cccnc34)cc2[C@]2(COC(N)=N2)C12COC2 149230334 VJBWMBRNRXJSBA-XMMPIXPASA-N 401.466 3.630 0 1 HHAF CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C(C)C)C(=O)c1cc(OC)ccc12 95570314 DZBSIQTYZBMLMK-QPPBQGQZSA-N 409.482 3.666 0 3 HHAF N[C@H]1CC[C@H](Nc2ccc3ncc(-c4cnc(Nc5ccccc5)nc4)n3n2)CC1 299849347 KUNDZIQYLIUGDW-SAABIXHNSA-N 400.490 3.612 0 1 HHAF C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619791 ZHAZHAURYSQOOD-YOSAUDMPSA-N 402.402 3.894 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 587202694 KRWBZNXNKWCJOU-OAHLLOKOSA-N 418.247 3.768 0 1 HHAF C[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128313 JHSZKNHMUFYHMT-LURJTMIESA-N 414.754 3.873 0 1 HHAF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](N=O)C2 587574817 YXKOBUCHJXVMMA-QTEQDKRBSA-N 403.390 3.949 0 1 HHAF COC(=O)c1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2c1 587124035 HUCAHQCRXMLYSX-UHFFFAOYSA-N 413.377 3.586 0 1 HHAF Nc1ncc(Cl)nc1-c1nc2c(Br)ccc(Br)c2[nH]1 587086463 KZNMOVWCBPAUJF-UHFFFAOYSA-N 403.465 3.781 0 1 HHAF COc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c(OC)c1 587923826 QNQJRHUUICXCFC-UHFFFAOYSA-N 404.513 3.890 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N3C(=O)C=CC3=O)cc1)O2 587391206 LNSNJQPYEIIORF-AREMUKBSSA-N 424.456 3.916 0 1 HHAF COC(=O)c1cccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587001982 CVEICAMLUFOTQG-SNVBAGLBSA-N 415.243 3.747 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccc(C)cc3)c2O)c(O[C@@H]2CCOC2)c1 587925412 HJNCMVMLCLFZKM-QGZVFWFLSA-N 409.438 3.818 0 1 HHAF CCN(CC)c1ccc2cc([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)c(=O)oc2c1 962926001 SECWQLCWYNMNBF-HSZRJFAPSA-N 419.525 3.576 0 1 HHAF COc1cccc(NC(=O)N[C@@H]2CCC[C@@H](NC(=O)Nc3cccc(OC)c3)C2)c1 13493802 FNTAEIPCZBYVBU-HZPDHXFCSA-N 412.490 3.958 0 1 HHAF CS(=O)(=O)c1ccc(/C=C2\C(=O)Nc3ccc(C(=O)c4cccs4)cc32)cc1 13538902 FOLGHFINWYEFPE-BOPFTXTBSA-N 409.488 3.875 0 1 HHAF COc1cc(C(=O)O)ccc1Cc1nn(C)c2ccc(C(=O)NCC3CCCC3)cc12 13650709 ICRFKCLPFMJIDR-UHFFFAOYSA-N 421.497 3.791 0 1 HHAF Cc1cc(Br)cnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C 13746165 NWQCXBOWUUEBPU-VWLOTQADSA-N 419.348 3.712 0 1 HHAF O=C(NCCC1CCOCC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 165649731 OXDNSGLGXAMTNX-UHFFFAOYSA-N 411.477 3.920 0 1 HHAF Cc1ccc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)cc1 209722843 LACBASXDMHFSOO-NRFANRHFSA-N 418.493 3.912 0 1 HHAF CC(=O)N1CCC(O)(c2ccc3nc(C)[nH]c(=N[C@H](C)c4cccc(C)c4)c3c2)CC1 1857575334 LTHCQUJFHMMKFS-QGZVFWFLSA-N 418.541 3.672 0 1 HHAF O[C@](CN(Cc1ccccc1Cl)C1CC1)(Cn1cncn1)c1ccc(F)cc1F 1857597030 ITXHMAFBMWVPLB-OAQYLSRUSA-N 418.875 3.762 0 1 HHAF O=C(NCCN1CCCC1)c1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1 1857643065 BAUFNDUBRRNESI-UHFFFAOYSA-N 417.538 3.950 0 1 HHAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CC[C@@H](O)C2CCNCC2)cc1 1857762705 ZUAMMZYKUTTYRO-XMMPIXPASA-N 406.574 3.792 0 1 HHAF Cc1cc(=O)c(Oc2ccc(C(=O)O)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581233 HYCPIFKKZKYDMY-UHFFFAOYSA-N 400.408 3.509 0 1 HHAF CC(C)C(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl 26647982 VIWYNSCAENMAKI-UHFFFAOYSA-N 407.297 3.959 0 1 HHAF COc1cc(-c2nnc([S@](=O)Cc3cccc(F)c3)s2)cc(OC)c1OC 29123327 YIOKYDMZVJEHQV-MHZLTWQESA-N 408.476 3.678 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ncnn1Cc1ccccc1 45288712 XRUFFVGQHMYRJA-INIZCTEOSA-N 410.952 3.717 0 1 HHAF Cn1nccc1[C@@H]1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C(=O)O)C1 49055167 GJTMXIQJSWMHLR-GOSISDBHSA-N 419.481 3.634 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO 95600891 UOYXNQGGSNDUET-OYDLWJJNSA-N 424.516 3.620 0 1 HHAF O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893335 WBKNPNMAUZSOIK-RJGXRXQPSA-N 404.510 3.583 0 1 HHAF CCOC(=O)C1=C(CC)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 96270339 MNARIJUQEZQKAI-OAQYLSRUSA-N 410.470 3.855 0 1 HHAF O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 96271352 ADNUQHYUEBTALD-UHFFFAOYSA-N 401.875 3.890 0 1 HHAF Cn1cc(C(=O)NOc2ccc(F)cc2)c(OCc2cccc(C(F)(F)F)c2)n1 98083030 GCZQYYDZCAKSKP-UHFFFAOYSA-N 409.339 3.881 0 1 HHAF CC1(C)[C@]2(C)CC[C@]1(C(=O)N1NC(=O)[C@@H](c3ccccc3)[C@@H]1c1ccccc1)OC2=O 100243332 LNKFTZROFCFJOY-QKFIJCJASA-N 418.493 3.507 0 1 HHAF CN1[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H]1CN(Cc1ccccc1)C2 100825594 MVTUOZHQDKFGRL-FGZHOGPDSA-N 418.585 3.841 0 1 HHAF Cn1nc(C(C)(C)C)c(Br)c1C(=O)Nc1nnc(C(F)(F)F)s1 103185192 OSAOLUILOXMXHK-UHFFFAOYSA-N 412.235 3.603 0 1 HHAF Cc1nc(-n2ccc(OCCC3CC3)cc2=O)sc1C(=O)NCc1ccccc1 103230886 HFVOEUOCDIYZFY-UHFFFAOYSA-N 409.511 3.711 0 1 HHAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(C(F)(F)F)n2)n1 142997144 LEWIUHWPAQQQJF-STQMWFEESA-N 413.407 3.851 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 149927907 PZURKFMDNKKURZ-IFXJQAMLSA-N 401.457 3.917 0 1 HHAF Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 169356121 ORDMBNHJHVBOOO-XPWALMASSA-N 408.546 3.920 0 1 HHAF NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2Cl)[C@H]2C[C@H]2O1 226079878 PHALMLPUYSAMCZ-WBHUJUFNSA-N 409.248 3.539 0 1 HHAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(Br)c3[nH]2)s1 587023448 BEBONQOEMHLZIW-UHFFFAOYSA-N 410.297 4.115 0 1 HHAF COC(=O)Nc1ccc(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)cc1 587243467 MEMONAJZZBQVPC-UHFFFAOYSA-N 404.220 3.957 0 1 HHAF O=C(O)CCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518499 JMRAZOIQQAHTMN-DEOSSOPVSA-N 405.450 3.638 0 1 HHAF COc1ccc(COc2cccc(OC)c2-c2ccc3c(O)nc(O)nc3n2)cc1 587560202 XXTNEFYSZYJPCV-UHFFFAOYSA-N 405.410 3.699 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnn[nH]1 587574396 ZJUMIFFTEKOYKO-UGKGYDQZSA-N 403.369 3.555 0 1 HHAF O=C(O)C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 587580743 DGYBPQVGJYTFEH-OFNKIYASSA-N 417.417 3.616 0 1 HHAF CCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587606642 IOERJVPIBJIKTH-UGKGYDQZSA-N 410.447 3.889 0 1 HHAF CN(C)Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)o1 587656509 LZSCCUDYEAWVTL-UHFFFAOYSA-N 409.392 3.685 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)n2C)N1 587679012 DUCDWNTUFNKTSK-WPPNPWJKSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC2OCCO2)N1 587834093 PYFBQOARIPHXHR-FKIZINRSSA-N 422.294 3.964 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 587834514 LBZJTUSRCDMYQJ-MLCYQJTMSA-N 408.267 3.992 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(N)cc1Br 587866915 MPIMAJGQFQLSNQ-UHFFFAOYSA-N 414.185 3.701 0 1 HHAF CC(C)N1CCC(Oc2ccc(C(=O)N[C@H]3CCN(C4CCC4)C3)c(Cl)c2)CC1 653766364 SLQDBWKVZSVXNR-KRWDZBQOSA-N 419.997 3.948 0 1 HHAF CCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)c2C1 1772610010 HHIPLGZKKZDKRY-UHFFFAOYSA-N 424.442 3.965 0 1 HHAF Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C3CC3)[C@H]2c2ccc(F)cc2)c1 1857556223 QLPZMPXONGNWLO-RTWAWAEBSA-N 418.472 3.857 0 1 HHAF COc1cc(C(=O)N(C)C)ccc1N=c1nc(OC2CCCCC2)c2cc[nH]c2[nH]1 1857586081 NHDJXMUCPCWPNY-UHFFFAOYSA-N 409.490 3.545 0 1 HHAF O=C(O)[C@H]1C2CCC(CC2)[C@@H]1N=c1[nH]c(-c2c[nH]c3c(F)cc(F)cc23)ncc1F 1857594596 VUDRHJAHWHEUHN-WRQLEZRVSA-N 416.403 3.765 0 1 HHAF O=C1[C@H]2CCC[C@@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 1857771112 ZSDLULFCEDZUGK-ROUUACIJSA-N 411.571 3.589 0 1 HHAF C=C1C2=C(Cc3occc31)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@@]1(O)C[C@H]2OC(C)=O 2356672710 VBLHHNLILNJNIZ-DVJXIFHOSA-N 414.498 3.970 0 1 HHAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356696678 LGWDBNNCYKGKFM-CICWBWRNSA-N 420.590 3.745 0 1 HHAF CCc1noc(C)c1C(=O)N1CCC[C@@H](CCC(=O)NCc2cccc(OC)c2)C1 12478218 QBBMHVJDODAESU-KRWDZBQOSA-N 413.518 3.503 0 3 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)cc1 4208268 HMXDUHDVWYITGD-CTNGQTDRSA-N 414.889 3.689 0 1 HHAF COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 13646401 DSEIBQNRLLYRRC-UHFFFAOYSA-N 401.470 3.676 0 1 HHAF Nc1cc(Cl)ccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 13799540 LSUMFFKZSHRRLY-UHFFFAOYSA-N 410.861 3.996 0 1 HHAF COc1ccc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc1OC 14585227 MFIHSKBTNZNJIK-LGFFLQIISA-N 416.470 3.805 0 1 HHAF biogenic,in-vitro O=C(N[C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)c1cccc(OC(F)(F)F)c1 28455912 MGFAGHHUZJKCJS-INIZCTEOSA-N 422.403 3.708 0 1 HHAF COc1cc(-c2nnc([S@](=O)Cc3ccc(F)cc3)s2)cc(OC)c1OC 29123296 FCDCOLSRRDAYKL-MHZLTWQESA-N 408.476 3.678 0 1 HHAF CC(=O)c1cccc(NC(=O)NCCCN2C[C@@H]3Cc4ccc(F)cc4C[C@H]3C2)c1 29398051 UEZCEACAQLYPRG-SFTDATJTSA-N 409.505 3.887 0 1 HHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC[C@H](F)C3)ns2)n1 66112267 WJCNNHJXSAZOGM-AWEZNQCLSA-N 412.498 3.562 0 1 HHAF COc1ccc2c(CC(=O)Nc3sccc3C(N)=O)c(Br)ccc2c1 71329120 DZCXXVGMDFESDY-UHFFFAOYSA-N 419.300 3.953 0 1 HHAF CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCNC(C)=O 82179720 FEZFWNVJRNHGSB-UHFFFAOYSA-N 412.513 3.660 0 1 HHAF C[C@@H]1CC(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccc3c(c2)OCO3)NC1=O 95664446 NTDYEOQLFHPYHB-UCTBOGIRSA-N 406.482 3.806 0 1 HHAF COc1ccccc1Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1 145395024 OCCFUDYHZHVICL-ZWKOTPCHSA-N 412.387 3.897 0 1 HHAF CN(c1ncc(C(F)(F)F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203541115 VHPUHTIXWAKPCF-ZDUSSCGKSA-N 422.382 3.668 0 1 HHAF COc1nc(N2CC[C@@H](OC)C2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 205310022 AUNQFTYGCPLFAH-LLVKDONJSA-N 401.850 3.815 0 1 HHAF COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586962116 USPGBAQHDWHXSU-QGTPRVQTSA-N 412.515 3.661 0 1 HHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)ncc(F)c2[nH]1 587039859 WDWZZGURVVJKOR-UHFFFAOYSA-N 415.248 3.725 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132470 QRCGCEUNBRXANA-SNVBAGLBSA-N 415.824 3.973 0 1 HHAF Cn1cnc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547747 RKOBXLOVBVMOFC-DYVFJYSZSA-N 401.216 3.591 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c[nH]c2ccccc12 587592993 ZUOVGEOZMBHIFK-AUSIDOKSSA-N 401.374 3.815 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597078 UMBRXMQDVRJRIK-AGQWTDFKSA-N 423.465 3.979 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)(F)F)c2c1 587650096 WSDLGNKSMLYGFD-UHFFFAOYSA-N 411.357 3.712 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2N)N1 587682974 MOCOOYDSPSZHRC-WJWGPLDTSA-N 415.104 3.952 0 1 HHAF COc1cc(C)c(C(=O)NC[C@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C 653842764 MFXFJCTWTYLVGK-FQEVSTJZSA-N 407.470 3.510 0 1 HHAF COc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(C)c1OC 962638718 MHXDTCARSYMSLF-RDPSFJRHSA-N 406.482 3.748 0 1 HHAF Cc1ccnc2c1CCN[C@]2(C)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 963070263 GDRMACWWSOLAJR-JOCHJYFZSA-N 411.502 3.739 0 1 HHAF C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1c(F)cccc1F 1772634229 YNKKRZRUEQNSBR-SJCJKPOMSA-N 400.351 3.927 0 1 HHAF O=S1(=O)C[C@H](O)c2c1ccc(Oc1cc(F)cc(Cl)c1)c2Br 1857748128 DXJVGIAJQSXAAS-JTQLQIEISA-N 407.644 3.855 0 1 HHAF O=C(Nc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CC2CCCCC2)nn1 2356298489 GVJQUGKOTMFGIV-AJSBUHFISA-N 407.562 3.750 0 1 HHAF COC1=C(OC)[C@H](OC)[C@@H]2C(=C1)[C@H]1O[C@@H](c3cc4c(c(OC)c32)OCO4)[C@H](C)[C@H]1C 2356450624 CFKXMCHMUWMKDV-NTSXTLQASA-N 416.470 3.693 0 1 HHAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c3c(oc12)[C@@H](O)[C@H](O)CC3 2356773918 MICREMKKPHNKKJ-WGKQYJNNSA-N 411.498 3.931 0 1 HHAF COC(=O)CCCCCN1C(=O)N[C@@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C 15952503 PYUGKUNOPBXDBC-NRFANRHFSA-N 414.502 3.541 0 3 HHAF COc1ccc(CNc2nn3c(-c4cccc(C(=O)N(C)C)c4)cnc3s2)cc1 61929201 FIGJTSCPHKMRRB-UHFFFAOYSA-N 407.499 3.780 0 3 HHAF O=C(Nc1cc(Cl)ccc1F)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 203474660 GSIFKNUIOKAZLY-LBPRGKRZSA-N 405.886 3.976 0 3 HHAF O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(F)c(F)c1 2465409 YUYBKHDDIVACIE-UHFFFAOYSA-N 410.261 3.591 0 1 HHAF CCOc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1OC 3039347 GNOBGXAFGHCPFS-QFIPXVFZSA-N 400.519 3.691 0 1 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCN(CC)CC 4049113 JFHKUZRNTWPNKX-FYYLOGMGSA-N 409.530 3.635 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4050140 QTPUUATVWKPITC-XODKDNOYSA-N 416.880 3.991 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(C)cc1Cl 4909086 SBIFJESEYBHIRO-CQSZACIVSA-N 418.993 3.749 0 1 HHAF CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1)C(=O)N(CC)CC 103623069 BGZKXFYKOMJIBD-INIZCTEOSA-N 412.563 3.705 0 1 HHAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(F)cc1 103226506 NAKHLXHAFRABRV-QHCPKHFHSA-N 408.379 3.917 0 1 HHAF COc1ccc(CC(=O)N(C)[C@H]2c3cccc(OC)c3CC[C@@H]2N2CCCC2)cc1 27763426 NVTIWUZIYCTSRZ-DHLKQENFSA-N 408.542 3.857 0 1 HHAF C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 26157121 OGJFKUQJOKISDC-AVRDEDQJSA-N 409.555 3.509 0 1 HHAF Cc1cc(COc2ccc(C(=O)NCCc3nnc(S)[nH]3)cc2)c2ccccc2n1 28903198 MEWQGNPVNKWBSS-UHFFFAOYSA-N 419.510 3.502 0 1 HHAF c1ccc(CCN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 22938832 NRYCUQFVARKWSL-UHFFFAOYSA-N 414.557 3.542 0 1 HHAF COc1cc2c(cc1O)CCN1[C@H](Cc3ccc(O)cc3)c3cc(O)c(O)cc3C[C@H]21 14443933 YPWAKZWXYJJUFO-NHCUHLMSSA-N 419.477 3.957 0 1 HHAF biogenic O=S(=O)(NCCCCN1CC[C@@H]2CCCC[C@@H]2C1)c1cccc2cccnc12 73168438 MGDLYQHKHDZOSQ-AZUAARDMSA-N 401.576 3.805 0 1 HHAF O=c1[nH]c2cccc(N3CCN(C[C@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 45255095 ZEIYGHCLSNJBKD-HNNXBMFYSA-N 420.488 3.669 0 1 HHAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181433 ZIVRHPIUFHYGIK-UHFFFAOYSA-N 407.449 3.900 0 1 HHAF O=C(Cc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 84652189 ZKFSEJHRACMHEP-UHFFFAOYSA-N 400.526 3.628 0 1 HHAF CC(=O)[C@H]1C[C@@]2(C)[C@H](O)C[C@H]3[C@@](C)(CC[C@@H]4C(C)(C)CCC[C@]34CO)[C@H]2C[C@@H]1O 238739088 UNROCHKAAVDZAK-GDBOOKMLSA-N 406.607 3.955 0 1 HHAF COC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145474649 KBOXFXYPAYYZHI-KRWDZBQOSA-N 424.478 3.905 0 1 HHAF CC(C)N1c2nc(-n3ccnc3-c3ccc(F)cc3)ncc2N(C)C(=O)C12CCC2 96272645 ZQQFEJKKQWPBQA-UHFFFAOYSA-N 406.465 3.582 0 1 HHAF O=C(c1cccnc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95878261 ZNNUAEVOKNTBIG-PMOQBDJRSA-N 403.457 3.878 0 1 HHAF COc1cccc(CNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2c2nc(O)c3ccccc3n2)c1 299878596 JINWDJLLNCPHMH-AFMUBRCDSA-N 401.466 3.566 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555791 MCEODCPROGYQTB-UWJYYQICSA-N 400.381 3.865 0 1 HHAF COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 587606201 CGIPYFOZDWDXIV-NZQKXSOJSA-N 406.390 3.875 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 587748368 WPSAOCAMHDVCJT-VPTHRUTESA-N 406.255 3.944 0 1 HHAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587552666 BUNDTWAJIMJNSU-RXVVDRJESA-N 414.410 3.638 0 1 HHAF Cc1nc(N2CCOCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613543 POJVVCLBQBZFAU-YLJYHZDGSA-N 424.478 3.697 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(COc3ccc(C)cc3OC)[nH]c2c1 587564931 QELCAKBINLOVPW-UHFFFAOYSA-N 403.504 3.537 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587422821 UXPLXPVLYNFAJM-HWWQOWPSSA-N 401.381 3.657 0 1 HHAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 586980078 HVPHTTAQGSTMQT-UHFFFAOYSA-N 423.194 3.563 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@]12C=CO[C@H]1COC(C)(C)O[C@]12C 962396893 HAYCFKXYARQQSS-NNWRFLSQSA-N 400.544 3.794 0 1 HHAF COc1ccc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1NC(C)=O 962762587 JPAIFGDODUSACX-PXNSSMCTSA-N 406.404 3.563 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@]3(CCCc4nc(Cl)ccc43)N12 962657513 CCEBGYNEUZHQGS-PKTZIBPZSA-N 407.901 3.962 0 1 HHAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 5070424 JREWSJUQFXYCBW-NQIIRXRSSA-N 409.530 3.570 0 1 HHAF O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)c1cccc2ccccc12 13446689 QMCHWKBTCHDOPW-HSZRJFAPSA-N 411.461 3.736 0 1 HHAF O=c1cc(N2CCOCC2)oc2cc(OCCOc3ccccc3Cl)ccc12 13677039 BDFNTQKOUOFBOZ-UHFFFAOYSA-N 401.846 3.741 0 1 HHAF Cc1cnc2c(-c3ccc(F)c(F)c3)c(-c3ccc(S(N)(=O)=O)cc3)nn2c1C 13861631 AAAOMCSCSUZUMA-UHFFFAOYSA-N 414.437 3.606 0 1 HHAF O=C1C[C@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727237 GYYHVMFYWXLBJF-JTHBVZDNSA-N 404.510 3.989 0 1 HHAF Cc1ccc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c(C)n1 1857533705 LHGWFEHJIOTMJU-UHFFFAOYSA-N 400.486 3.994 0 1 HHAF Cn1cc(-c2cnc(N3CCC([C@@H]4c5c(F)cccc5-c5cncn54)CC3)nc2)cn1 1857578933 CXWRSQDVQMEABQ-JOCHJYFZSA-N 415.476 3.699 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)CO[C@]3(C[C@@H]12)C[C@@H](O)C(CO)=CO3 38938362 GPPKUGMRXBVXFJ-UNBXWCMQSA-N 400.515 3.532 0 1 HHAF CCOc1cc(OCC)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1 13779513 ORGYAJJXKGASTK-UHFFFAOYSA-N 424.505 3.991 0 1 HHAF CCCn1c(=O)c2[nH]c(C(c3ccccc3)c3ccccc3)nc2n(CCC)c1=O 13861098 BTWZNALORKFXAY-UHFFFAOYSA-N 402.498 3.887 0 1 HHAF NS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2-c2ccc3c(c2)OCCO3)cc1 28392423 JKHHUOVVMIFTNS-UHFFFAOYSA-N 403.406 3.717 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(CCO)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410529 VOCNVBNHMPOAMF-JQOWFYNESA-N 418.622 3.697 0 1 HHAF C[S@@](=O)c1ccc(-c2c(-c3ccc([S@](C)=O)cc3)nc3n2CCS3)cc1 34079724 YGHFVIHLZKIRND-FTJBHMTQSA-N 402.566 3.798 0 1 HHAF CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O 34393923 HJMJXSLZAFZRFV-HSZRJFAPSA-N 419.569 3.595 0 1 HHAF NCCC(=O)N1CCc2c([nH]c3ccc(OC(F)(F)F)cc23)[C@@H]1c1cccc(O)c1 45351281 FHAFMTSUGDDCSE-FQEVSTJZSA-N 419.403 3.595 0 1 HHAF CC1(C)C(=O)c2[nH]ncc2[C@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49036203 ROOMENDPDNTBJY-HNNXBMFYSA-N 413.421 3.545 0 1 HHAF CN(C(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1cccc2cccnc12 62178840 DCGUPADONWNEFL-VVIORFSUSA-N 423.472 3.823 0 1 HHAF Nc1ncc(I)c(-c2c[nH]c3ccc(Br)cc23)n1 72108939 RPOUFRITOYFTAD-UHFFFAOYSA-N 415.032 3.574 0 1 HHAF O=C(NC1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95796493 OHRZRQPSTZYOKV-PKTZIBPZSA-N 411.590 3.734 0 1 HHAF C[C@@H]1CC[C@@H](COc2ccnc(Cl)c2)CN1C(=O)c1ccccc1-n1nccn1 96175606 GQLRTQAQSNZOGW-HZPDHXFCSA-N 411.893 3.635 0 1 HHAF O=C(O)c1cn(CC2CCN(C(=O)Nc3ccccc3)CC2)c2ccccc2c1=O 96906831 SWJJYDGLOXBXOB-UHFFFAOYSA-N 405.454 3.644 0 1 HHAF Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C 117252932 HAYUVEQIUAPPLD-UHFFFAOYSA-N 415.541 3.716 0 1 HHAF Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 143602263 RKAXYUZQFLSKQW-UHFFFAOYSA-N 411.433 3.672 0 1 HHAF CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C 200071963 WQFIZWCFRFXCPS-MTFMMBMASA-N 402.563 3.907 0 1 HHAF O=C(O)CCc1ccc(OC2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 299860339 GNANLBVBXSQNJJ-YADHBBJMSA-N 408.498 3.813 0 1 HHAF C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 299879096 KFMMSMOZISSCAW-IXBLQEPASA-N 413.558 3.567 0 1 HHAF COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccc(F)cc4)cc3)c2c1 473157253 URBXWDLHACBZLA-UHFFFAOYSA-O 404.465 3.624 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587125725 SQKBHEOAWOXZPU-ZUZCIYMTSA-N 407.396 3.840 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(C3(O)CCC(C(F)(F)F)CC3)nc-2[nH]1 587127476 YRECFUUFJHHPCQ-UHFFFAOYSA-N 407.396 3.562 0 1 HHAF N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1F 587142643 IXFNIZUMAOPZGM-NSHDSACASA-N 414.076 3.865 0 1 HHAF c1coc(CNCc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)c1 587231607 CBXDJNGWZZEKQX-UHFFFAOYSA-N 402.498 3.945 0 1 HHAF Cc1nn(C)cc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342044 LHBCMXXWSFEPNF-XWJITYEGSA-N 421.472 3.903 0 1 HHAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442069 JSYVSDMUUVDXEA-QMHKHESXSA-N 412.438 3.610 0 1 HHAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Br 587547621 QPAWMLATZFDELP-YOEHRIQHSA-N 401.216 3.591 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C2=O 587584614 ZHQVMAJOYSQION-YKSBVNFPSA-N 401.418 3.525 0 1 HHAF Cc1ccc(S(=O)(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606350 HGZJAIRKMIGCNX-REWPJTCUSA-N 424.474 3.895 0 1 HHAF O=C(O)c1ccc2c(c1)OC=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608026 IVWICIQATCBIFP-XXBNENTESA-N 402.358 3.854 0 1 HHAF Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1C 587657427 WOMGFUPZAUWECB-UHFFFAOYSA-N 408.408 3.804 0 1 HHAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2cn1 587927139 OBQXCYJOBHHJJU-UHFFFAOYSA-N 405.410 3.801 0 1 HHAF COC(=O)c1cc([C@@]2(CC(C)C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c[nH]1 962628336 LUGWUXXYQKGZDN-WNSKOXEYSA-N 400.519 3.985 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(Cn3cccn3)cc2)N1 962699545 PAMOSPHJEIPJIE-RTBURBONSA-N 419.378 3.778 0 1 HHAF CCOC(=O)[C@@]1(c2cccnc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962951308 GCPBHZTUBYYFMA-NRFANRHFSA-N 420.431 3.559 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)CC(=O)N1CCC(C(=O)OCC)CC1 963226792 HRCNRMDIULHQSX-MHECFPHRSA-N 400.563 3.750 0 1 HHAF O=C1COc2c(Cl)cc(NC(=O)C3CCN(c4ncccc4Cl)CC3)cc2N1 1857603279 DFDYKXCKZMYNSM-UHFFFAOYSA-N 421.284 3.574 0 1 HHAF COc1ccc2c(=O)cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)oc2c1 1857654884 MYWJWRCXIVJIOX-UHFFFAOYSA-N 420.509 3.834 0 1 HHAF CC(C=CC=CC=CC=CC(=O)O)=C[C@H](C)[C@H](O[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1)C(C)C 2356335424 ZOGIGJKRUBEBDV-HLLYSYHASA-N 420.546 3.776 0 1 HHAF CC=Cc1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356473217 XLISRJBFLZABKA-XCLFUZPHSA-N 404.459 3.961 0 1 HHAF CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@@]3(C)[C@H]4O[C@H](CC(C)=CC[C@H]3O)[C@H]1[C@H]42 2356506353 ASYFQGFROIAMPM-YCILLQHJSA-N 406.563 3.880 0 1 HHAF CC(C)=C[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4[C@@H]5C(=CC[C@H]23)C(=O)O[C@@]5(O)C[C@@]4(C)O)O1 2356714897 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28705582 ZIOSCDPLBZCHSN-UHFFFAOYSA-N 423.605 3.831 0 1 HHAF CCc1cc(-c2ccc3c(c2)C[C@@H](CC(=O)NCc2cnc(C)cn2)C3=O)ccc1O 29123364 WPDBKJBYOYDOMI-FQEVSTJZSA-N 415.493 3.782 0 1 HHAF COc1c(Br)c2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72118797 AHJGQJCRRIJCJU-ZDUSSCGKSA-N 418.287 3.947 0 1 HHAF Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Br)cc2F)n1 84687761 YBWSBJVJGRFKGE-UHFFFAOYSA-N 403.255 3.642 0 1 HHAF Cn1cc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)cccc2n1 96926998 WIJRGIUWBLWHOK-UHFFFAOYSA-N 410.481 3.787 0 1 HHAF COc1cccc(OC)c1[C@@H]1COCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176774 DBVGSXHWGMFERG-HNNXBMFYSA-N 411.376 3.703 0 1 HHAF O=C(COc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(F)cc1 100624450 HCULVCZZLOBHCK-XPRTXTSQSA-N 417.436 3.645 0 1 HHAF Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCSCC2)cn1 142326544 AZCTWLTXICQZTD-UHFFFAOYSA-N 413.474 3.952 0 1 HHAF CCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1 169707188 VNKQIXCGXNDPOU-IBGZPJMESA-N 403.486 3.502 0 1 HHAF 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Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(Cl)c2[nH]1 586946848 TZGZEIFLLLUGGL-CYBMUJFWSA-N 405.907 3.649 0 1 HHAF COc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1C 586974616 FNKNVAMSVCRSTC-KRWDZBQOSA-N 406.280 3.708 0 1 HHAF C=CN1CCCC[C@@H]([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587441497 GCXVXEAJPZHACA-IECBHUPTSA-N 404.466 3.505 0 1 HHAF COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504398 JELBFBNZNYWSHH-QHCPKHFHSA-N 414.404 3.837 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(O)c1OC 587593294 LENQPMFDWUWRBT-WMZHIEFXSA-N 408.406 3.992 0 1 HHAF COC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593301 LFPGQMIBWLCXQG-HCYUJWNOSA-N 416.429 3.985 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 587745503 JSWGBUYQKNVRBF-APBUJDDRSA-N 405.315 3.711 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3c(O)nc4cccc2c43)N1 587778644 NUMXOJDSPPMGOZ-OVWNDWIMSA-N 402.267 3.825 0 1 HHAF COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 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CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccc3OC)cc21 72114206 ICEDUEHQRWWIHL-KRWDZBQOSA-N 411.454 3.525 0 1 HHAF CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3)c2C)cc1 72182640 VYEZMJXAJMMPSX-JOCHJYFZSA-N 423.557 3.819 0 1 HHAF O=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3n(c2c1)CCCNC3=O 73220354 JMEYCQCGWJJILQ-UHFFFAOYSA-N 400.438 3.606 0 1 HHAF O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCc3cccs3)ncnc21 82190308 QLNUDUAMFXCWKF-UHFFFAOYSA-N 422.514 3.772 0 1 HHAF FC(F)(F)c1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1 84706167 XRLGCIOJJJKSER-UHFFFAOYSA-N 400.408 3.711 0 1 HHAF O=C(O)c1ccc(Cl)cc1Nc1c(Nc2cccc(Br)c2)c(=O)c1=O 101028430 QYFRNJPTCNVDDB-UHFFFAOYSA-N 421.634 3.884 0 1 HHAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O)c1ccccc1 101278104 HJQGYKRAMBLSHY-QGZVFWFLSA-N 421.497 3.775 0 1 HHAF c1cc(-c2nn(C3C[C@H]4COC[C@H](C3)N4)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 101417536 YEEFQERYHQOGGF-PMACEKPBSA-N 424.508 3.598 0 1 HHAF CCCC(=O)O[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 103232798 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COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)cc1OC)[C@@H](C2)C3=O 587412519 IQGFSSRWHIKQPA-BUXKBTBVSA-N 405.244 3.964 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(SCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587451665 LJPIVPDJFPRMAQ-LHSJRXKWSA-N 400.452 3.543 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Br)ccc21 587457813 NSJYKBBOMYNHKA-IBGZPJMESA-N 402.244 3.920 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cnc2c1OCCO2 587550379 ADCWBCVIHHJNMU-APWZRJJASA-N 411.797 3.915 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580720 JBPYLKIBYKGMMP-PZWDHJTPSA-N 405.454 3.541 0 1 HHAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587606062 GHRKZJSUFYVNRM-VQIMIIECSA-N 402.449 3.560 0 1 HHAF COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587721661 PYDILJSJZVAQMN-VVVCHXIZSA-N 406.242 3.926 0 1 HHAF CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807694 LLJDUQXBAQRQKC-FKIZINRSSA-N 422.294 3.938 0 1 HHAF Cn1cnc2ccc(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cc21 653884636 LQABNPFZQZTLCV-UHFFFAOYSA-N 403.392 3.672 0 1 HHAF O=C(O)c1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1O 962638084 KIOSTTVPAPXJIB-GBXCKJPGSA-N 400.478 3.927 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1n[nH]c2cccc(Br)c12 963635665 NKEHILZJLLOOGP-XTZNXHDOSA-N 402.292 3.966 0 1 HHAF CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@@H](C)C(=O)NCC)cc3)C2)c1F 1772610981 XEOULHMACFMTHS-VQIMIIECSA-N 414.525 3.940 0 1 HHAF COC(=O)C=C(C)CCC=C[C@H](C)CC[C@@H]1CCC[C@](O)([C@@H]2CSC(=O)N2)O1 2356690495 ZDGSZBCCKDDREV-QUJKESNLSA-N 411.564 3.941 0 1 HHAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356301224 ZHNZUQCFLMGORI-XUVXKRRUSA-N 416.610 3.962 0 1 HHAF COc1ccc2nc(C[C@@H]3CN(C(=O)C4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302607 BPXDVZVIYXGJNZ-DLBZAZTESA-N 413.518 3.634 0 1 HHAF CC(C)(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2 117451724 FHBBPFODBREWBF-UHFFFAOYSA-N 405.502 3.566 0 1 HHAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)c1ccccn1 118398243 OHIHEIPCEBOBSX-LJQANCHMSA-N 402.433 3.857 0 1 HHAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](O)c2cccs2)CC1 27977533 LAAQBWCPQOZHMW-IBGZPJMESA-N 402.560 3.706 0 1 HHAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC(=O)OC 2356608802 ICEDJQYHANHREW-HSALFYBXSA-N 409.567 3.709 0 1 HHAF CCCC[C@H](C)C[C@H](O)C=C[C@H]1[C@H](CCCC[C@H](CC(=O)O)OC)C(=O)C[C@H]1O 2356687849 CQMVTHTYLSWGRI-WUERDQBYSA-N 412.567 3.736 0 1 HHAF CC(C)C(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72184465 RSMMDEAKBXDVSH-IBGZPJMESA-N 406.452 3.821 0 1 HHAF Cc1c(Oc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O 35932928 YYXNJDGFOGUERM-UHFFFAOYSA-N 408.863 3.852 0 1 HHAF CN(C)Cc1cccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)c1 84732540 JPCOPDQNIOHCQU-UHFFFAOYSA-N 415.493 3.986 0 1 HHAF O=C(NN1C(=O)CCS[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccncc1 84619637 INCPIBCWRJZYDM-HSZRJFAPSA-N 419.506 3.970 0 1 HHAF COc1ccc(CCN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)cc1OC 40422015 WROATIFGMXFRCC-UHFFFAOYSA-N 411.889 3.919 0 1 HHAF O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3 142045864 YWUXVPBJILEYPK-UHFFFAOYSA-N 410.399 3.817 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(Cc2ccc(F)cc2)C3=O)cc1 95604157 FSCJGFBRIDUUSQ-UHFFFAOYSA-N 424.453 3.731 0 1 HHAF CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 263591848 KTVAFYJJTHCQRJ-YKJXYISPSA-N 405.285 3.628 0 3 HHAF NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C4CCCCC4)cc3)ccc2=O)cc1 653705355 XBXATBPOUKZARK-UHFFFAOYSA-N 409.511 3.595 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2F)N1 587724431 HXWBSGNPQVIYAM-XYZCENFISA-N 416.287 3.754 0 1 HHAF Cc1nnc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)s1 587852759 INEREGLPOBMPFI-SNVBAGLBSA-N 411.344 3.778 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582335 ZSTOSZDITDQOKR-WRPOGVCQSA-N 419.433 3.608 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522057 DPQCKAMVPPGNPP-XMMPIXPASA-N 408.450 3.567 0 1 HHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccnc1 587395824 UMXKQTJPHZPGQS-FQEVSTJZSA-N 404.422 3.907 0 1 HHAF COC(=O)c1ccnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586966515 PCFYENYLKHXBBW-UHFFFAOYSA-N 420.498 3.554 0 1 HHAF CCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587606641 IOERJVPIBJIKTH-SIKLNZKXSA-N 410.447 3.889 0 1 HHAF CCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587487226 NGXPZOLIQSFOOZ-QFIPXVFZSA-N 417.527 3.914 0 1 HHAF COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587804251 DDWFJZVNZLGRIB-GIGQVBGESA-N 408.267 3.878 0 1 HHAF CC[C@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587954693 BCSKMRILWHROHC-LBPRGKRZSA-N 416.464 3.999 0 1 HHAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 587552815 SOVBHVSLCCXQNB-VGSWGCGISA-N 407.809 3.879 0 1 HHAF CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587780907 LOWRKUHVCYDQMO-UHFFFAOYSA-N 403.504 3.571 0 1 HHAF COc1ccc2c(c1OC)C1(C=C(C)N(CCCC(=O)O)C(C)=C1)N(C)[C@H](C)C2 962574391 UXBBFFHCWKORFR-OAHLLOKOSA-N 400.519 3.764 0 1 HHAF C[C@]1(CC(=O)NCc2ccc(Cl)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962766716 OUQXOSPKEXZPCK-YLJYHZDGSA-N 424.850 3.907 0 1 HHAF CC[C@@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)cc1F 1772626220 COSNUMTYCHOHBI-CYBMUJFWSA-N 412.343 3.739 0 1 HHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(CO)c2)c1F 1772609804 BKEJRFPRBYUSFN-YVEFUNNKSA-N 406.885 3.507 0 1 HHAF COc1ccccc1C(=O)Nc1ccnn1C1CCN(C2CCSCC2)CC1 11949880 GXXDERURDZGHFW-UHFFFAOYSA-N 400.548 3.677 0 3 HHAF COc1ccccc1N(C(N)=O)c1nc(-c2ccc(F)cc2C)nc2c1ncn2C 13488571 PTEBXEWWBOWMAM-UHFFFAOYSA-N 406.421 3.703 0 1 HHAF O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 13763596 VAXOQASMRPWLQF-UHFFFAOYSA-N 408.435 3.636 0 1 HHAF O=C(C[S@@](=O)CC(=O)Nc1ccccc1-c1ccccc1)Nc1ccc(F)cc1 15935689 YMFBPQOOQDMOHB-LJAQVGFWSA-N 410.470 3.819 0 3 HHAF Cc1cc(C)n(CCNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)n1 166925353 JMOAOHIHVHVDTI-UHFFFAOYSA-N 421.476 3.617 0 1 HHAF Cc1cccc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)c1 209722927 IQNMEHLMIAQCCO-NRFANRHFSA-N 418.493 3.912 0 1 HHAF CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4c(c3)OCCO4)c2c1N 1658807 MEKIPALSNWAOLJ-UHFFFAOYSA-N 418.500 3.687 0 1 HHAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 13607548 QSBMHYJVPYQAHD-BOPJXXHASA-N 418.486 3.821 0 1 HHAF COc1cc2c(OC)c3c(c(-c4cc5c(cc4O)OCO5)c2cc1OC)COC3=O 14435089 UMOJJWBCGIBDRN-UHFFFAOYSA-N 410.378 3.637 0 1 HHAF biogenic C[C@@H]1Cc2cccc3c2N1C(=O)[C@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 22454051 DGUCYPDNCXXCGB-VGOFRKELSA-N 409.961 3.750 0 1 HHAF COC(=O)[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)OC(C)C 26248353 QYYYYUVTIHIGOO-OAQYLSRUSA-N 412.486 3.852 0 1 HHAF CN1CCOc2c(C(=O)NC[C@H]3CCCN3CCc3ccccc3)cc(Cl)cc21 28248556 ZIGNSANQGXWXBU-LJQANCHMSA-N 413.949 3.606 0 1 HHAF COc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]n2)cc(OC)c1OC 28460950 BITOSIHBHIWPFY-UHFFFAOYSA-N 400.431 3.795 0 1 HHAF CCCN1C(=O)N2C[C@@H](c3ccccc3)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 36273980 AAOVNWNYUVSOSO-XWFFHEKESA-N 419.529 3.900 0 1 HHAF CC[C@]1(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](CO)Oc2c(F)ccc(F)c21 49124817 FZYSHOYLPJWVPZ-SGTLLEGYSA-N 402.846 3.841 0 1 HHAF CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1 72114925 MQNPAHIQQFHRBJ-JOCHJYFZSA-N 402.560 3.856 0 1 HHAF Cc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 82139510 UXQAOUMWJUGFNV-UHFFFAOYSA-N 420.488 3.718 0 1 HHAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2OC)cs1 82195377 GOXMHLAISYPVQM-HNNXBMFYSA-N 409.577 3.505 0 1 HHAF CCOC(=O)[C@]1(C(=O)Nc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95598409 RCPFIUFNKROQIP-KSFYIVLOSA-N 417.433 3.527 0 1 HHAF OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 95875542 ZLAMFFFFACPEQP-CYXNTTPDSA-N 414.553 3.568 0 1 HHAF C[C@H]1[C@@H]2CC[C@@](CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)([C@@H]1O)C2(C)C 100640456 WDCPKDGQHJWMLP-NOOBJOLFSA-N 415.599 3.810 0 1 HHAF CN(C)C(=O)CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 143358856 XZTWYTSIEGOALE-OAQYLSRUSA-N 415.415 3.807 0 1 HHAF CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cc(OC3CCC3)cc12)c1cccc(F)c1 167013367 UGSMZLIUJPNNFB-HXUWFJFHSA-N 423.492 3.514 0 1 HHAF O=C(CCOc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168433676 PPWNJGVHUYVDHE-UHFFFAOYSA-N 403.482 3.647 0 1 HHAF CCOC(=O)CN1C(=O)[C@@]2(OC[C@@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 169354865 MTYSPTUPQCBBJA-NNPDTBDGSA-N 403.478 3.724 0 1 HHAF CS(=O)(=O)NC(=O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12 205355006 KCELVRDPYZTFPG-UHFFFAOYSA-N 418.902 3.549 0 1 HHAF CO[C@@H]1C=C2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]2(C)CC1 255226553 LJZHYURIHAAOET-ZPTBPFKNSA-N 414.542 3.787 0 1 HHAF COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cn1 299863498 PFPGUFXETGAGAH-ZLNRFVROSA-N 404.510 3.530 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 586951996 GGTLWBOPUXXDJJ-UHFFFAOYSA-N 422.295 3.523 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587113588 QFNPYVOIIRMDDE-HNNXBMFYSA-N 417.313 3.742 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238848 GTDIIOMGHAUZBV-IATAILRESA-N 415.490 3.816 0 1 HHAF C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619789 ZHAZHAURYSQOOD-JXALWOEJSA-N 402.402 3.894 0 1 HHAF N[C@@H](Cc1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655577 AAPSRIJXNLLBNH-FQEVSTJZSA-N 405.404 3.552 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCNCC2)N1 587764367 DWOPOPZXDPRSBG-RNODOKPDSA-N 404.327 3.621 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794112 FZWZKANQAMFZOT-WYRIXSBYSA-N 414.315 3.886 0 1 HHAF CN1CCN(c2nc(NCc3ccc(F)cc3)nc3c2CCc2ccccc2-3)CC1 653761020 ZAAKGSGSFGONCJ-UHFFFAOYSA-N 403.505 3.745 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cc(F)cc(S(C)(=O)=O)c1 962395295 CEGPFILKUBJYAZ-OAQYLSRUSA-N 418.559 3.951 0 1 HHAF Cc1cccc([C@@]2(c3cc(F)ccc3F)NCCc3ccc(C(=O)N(C)C)cc32)n1 962930857 MVQFOXCASWONPV-XMMPIXPASA-N 407.464 3.808 0 1 HHAF Cc1ccnc2c1CCNC21CCN(C2(C)CCN(Cc3ccccc3)CC2)CC1 963065229 CLJYYYWZIOSDPI-UHFFFAOYSA-N 404.602 3.882 0 1 HHAF Cc1nc2c(N3CCOCC3)nccn2c1NCc1ccc(-c2cccnc2)cc1 1772606608 TVVBQZKMKLXUKB-UHFFFAOYSA-N 400.486 3.548 0 1 HHAF COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C 1857563653 RRRLIZYBHZKJOK-UHFFFAOYSA-N 402.859 3.893 0 1 HHAF CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)N(C)C(=O)N[C@H]1c1ccccc1 1857653879 QETZXMNIWFCSDV-IBGZPJMESA-N 422.510 3.869 0 1 HHAF CC(=CCC[C@@](C)(O)CCCC1=CC(=O)N(CC(=O)O)C1)CCC[C@@H](C)CC(=O)O 2356786752 BALURIUIBGAQQW-WZONZLPQSA-N 423.550 3.769 0 1 HHAF O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 12442662 ACGOMXUBJCYCGB-QGZVFWFLSA-N 407.445 3.835 0 3 HHAF Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 95557235 QJNWPHOXGBKSAD-IBGZPJMESA-N 409.511 3.643 0 3 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 4045362 UTJZWHQMCJFVKZ-FYYLOGMGSA-N 419.481 3.633 0 1 HHAF COc1ccccc1N1CCN(CCCC(=O)N[C@H]2CCCc3ccccc32)CC1 13586530 JRRCQQYYVCVERI-QFIPXVFZSA-N 407.558 3.791 0 1 HHAF COc1cc2c(cc1OC)CN(C(=O)[C@H](NCCc1ccccc1)C(C)(C)C)CC2 13588129 KCWNVAAECBJOCC-QHCPKHFHSA-N 410.558 3.836 0 1 HHAF O=C(O)C[C@@](O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758169 YYQRLLLEXVHQGE-SFHVURJKSA-N 405.274 3.736 0 1 HHAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCO 26573085 COSLZNSLGCSJBY-UXHICEINSA-N 412.530 3.918 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(=O)C2 27308735 XEGCBPWQNYJXLN-WZONZLPQSA-N 401.572 3.692 0 1 HHAF CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccs1 28572058 KHKGRAJSFGJEPY-UHFFFAOYSA-N 419.368 3.885 0 1 HHAF O=C(/N=c1\sn(Cc2ccccc2)c(=O)n1Cc1ccccc1)c1ccccc1 29123795 ZDSXJEFFDTVCSN-GYHWCHFESA-N 401.491 3.549 0 1 HHAF O=C(C[C@H]1CCCCN1c1cccc(-n2ccnc2)c1)NCc1ccc2c(c1)OCO2 35271103 YJJUDDTUAPFIMD-OAQYLSRUSA-N 418.497 3.666 0 1 HHAF Cc1cc(C(=O)N(C)C)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40395102 NBRWYFJSLJBYKG-KRWDZBQOSA-N 402.878 3.739 0 1 HHAF CC(C)(C)OC(=O)N1CCC(C2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CC1 71341898 YERQPNCASYFOJZ-UHFFFAOYSA-N 422.591 3.954 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 72137656 OKTLUHLPRNUIIK-XUVXKRRUSA-N 408.527 3.715 0 1 HHAF COc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccccc3Cl)n12 84713003 WDRWBLDUZZTZRV-UHFFFAOYSA-N 409.877 3.752 0 1 HHAF CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCC3(O)CCCCC3)C[C@H]21 100658974 XETMHMVSMOVVBI-SGRGSNTQSA-N 420.619 3.743 0 1 HHAF O=C(Cc1cccc(F)c1)Nc1cnn(-c2ccc(C(=O)N3C[C@H]4CC[C@H]3C4)cc2)c1 102347121 SNFBYXZZFWGIKY-JTSKRJEESA-N 418.472 3.817 0 1 HHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccccc1C(=O)C(F)(F)F 117584702 LDTGPXNFVDPCRR-UHFFFAOYSA-N 421.419 3.943 0 1 HHAF COc1ccc(Oc2ccc3c(O)c(C(=O)NCCCCC(=O)O)ncc3c2)cc1 146710601 CIEXUDARNJDRJD-UHFFFAOYSA-N 410.426 3.726 0 1 HHAF Cc1nc([C@@H]2C[C@@H]2c2nc3ccc(OC(F)F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205283002 ZJPLQPBUNACUHH-KGLIPLIRSA-N 411.416 3.731 0 1 HHAF O=C(c1cncc2ccccc12)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 221049483 XRCIVTMTDKJZTH-XKQJLSEDSA-N 413.403 3.901 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 586972217 FEHCOIJFEZOJLL-HXUWFJFHSA-N 411.527 3.779 0 1 HHAF COC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1OC 587043164 PTFNJAGDYNNZQJ-AWEZNQCLSA-N 417.874 3.667 0 1 HHAF Fc1ccc(-c2cnn(Cc3nc4cc(I)cnc4[nH]3)c2)cc1 587165043 KOLSXSUXEJPAEE-UHFFFAOYSA-N 419.201 3.613 0 1 HHAF C[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172856 NNXCXEHOBLYJGZ-GOSISDBHSA-N 419.206 3.791 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cnc3[nH]2)cc1 587245250 RJAZHIFXLIYICA-UHFFFAOYSA-N 412.247 3.860 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O 587476983 GZXXSVDSMLHVDJ-QHCPKHFHSA-N 414.454 3.786 0 1 HHAF C[C@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581579 WINOLMXYTDMOOY-NFBKMPQASA-N 405.406 3.623 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 587744150 GGXRDIOWBAUKOR-ZKANADHPSA-N 406.255 3.944 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CCN(C)CC3)CC2)N1 587765471 CJXKGSBGAJZPBG-CQSZACIVSA-N 410.375 3.508 0 1 HHAF Cc1c(F)ccc2c1[C@@H](c1c(N)oc3ccc(Br)cc3c1=O)NCC2 962377632 RXZRPZSCCSVDBS-KRWDZBQOSA-N 403.251 3.820 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCCS(=O)(=O)c3ccc(C)cc31)N(C)[C@H](C)C2 962629439 HQOUEOMABWNPHY-WAIKUNEKSA-N 415.555 3.700 0 1 HHAF CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033689 UEYOCPWPYPUGDK-XUSGNXJCSA-N 419.308 3.853 0 1 HHAF COC(=O)C[C@@]1(c2c(Cl)cccc2OC)NCCc2c(OC)ccc(Cl)c21 963258001 NCTXHOQTCUPOPH-HXUWFJFHSA-N 410.297 3.963 0 1 HHAF Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1 1857534726 JJMLRFOVMWSDMF-GOEBONIOSA-N 418.925 3.817 0 1 HHAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@@H](CN3CCN(CCOC)CC3)C=C2C)o1 2356692120 JUWSUUZIQZQMKE-BDTNDASRSA-N 418.626 3.683 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](COC(=O)CCC(=O)O)[C@]2(C)CC[C@@H](C)CCO 2356731163 DQBYZULBDHLLAH-KLMWXEEXSA-N 424.578 3.943 0 1 HHAF CC(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 61906933 OTRWDYOTKCSLGL-XMMPIXPASA-N 408.498 3.753 0 3 HHAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](c4ccccc4)C3)cc21 5834197 HBHYKGASTKIKEH-LJQANCHMSA-N 423.488 3.745 0 1 HHAF Cc1cc(C)c2c(=O)n(CCCN3CCN(c4cccc(Cl)c4)CC3)sc2n1 5930779 YPNORIQUZGLIEK-UHFFFAOYSA-N 416.978 3.941 0 1 HHAF O=C([C@@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@@H](O)c2cccs2)CC1 12099981 HIIRPOXVQKMFQY-AZUAARDMSA-N 402.491 3.547 0 1 HHAF Cn1c(O)c(C(=O)C[C@H](NCc2ccccn2)c2cccs2)c(=O)c2ccccc21 24717260 NNMARQGQBPGBEX-KRWDZBQOSA-N 419.506 3.805 0 1 HHAF biogenic CS(=O)(=O)c1ccccc1Nc1nccc(Nc2c(Cl)ccc3c2OCO3)n1 29043082 UPLMGYPCFPKZEU-UHFFFAOYSA-N 418.862 3.749 0 1 HHAF O=C(O)CCN1CCN(CCO[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 29310871 UVDWGJKQLARNNE-JOCHJYFZSA-N 402.922 3.538 0 1 HHAF CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1 73314275 NOLDAOWZNAVPJE-GASCZTMLSA-N 415.515 3.979 0 1 HHAF CC(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O 82185831 IBZJWTFODZZBHZ-UHFFFAOYSA-N 424.524 3.789 0 1 HHAF C=CC(=O)NCc1coc(-c2c(N)ncnc2Nc2ccc(Cl)c(Cl)c2F)n1 84714180 IRJLSKTZPNWHCW-UHFFFAOYSA-N 423.235 3.706 0 1 HHAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F)C1CCC1 96177292 LWLKNQAHAAQNLO-UHFFFAOYSA-N 402.433 3.814 0 1 HHAF Cc1cn(-c2cc(F)c(C(N)=O)c(NC3CCOCC3)c2)c2c1C(=O)CC(C)(C)C2 138348451 FPJIDYTXTGUSRH-UHFFFAOYSA-N 413.493 3.770 0 1 HHAF COc1ccc(-c2cc3ncccc3c(O[C@@H](C(C)C)[C@H]3CNC(=O)C3)n2)cc1OC 141940770 IYYYIYFSDAMZSZ-MWTRTKDXSA-N 421.497 3.854 0 1 HHAF CC[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2 146140062 LNLKPPWJJZVTLN-AZUAARDMSA-N 409.530 3.914 0 1 HHAF Cc1cc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)ccc1F 205734227 WERWAGNWRIDLTI-UHFFFAOYSA-N 405.476 3.922 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(NC)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253632713 ATNLARLOBDNYEU-AETXQPLOSA-N 403.611 3.839 0 1 HHAF CC1(C)[C@@H]2CC[C@@H](COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@H]1C2 261152301 PFDGMDBCUUBXKJ-DMDPSCGWSA-N 403.903 3.620 0 1 HHAF CN(C)C(=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586921667 KLZUARPQENESJG-UHFFFAOYSA-N 419.506 3.906 0 1 HHAF Sc1nc(S)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 586997377 BSPQPANDFAGBQX-OWOJBTEDSA-N 409.290 3.592 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4c(OC)cncc4[nH]3)cc2cc1Br 587000704 SQPCGNXLYRFBBU-UHFFFAOYSA-N 416.231 3.901 0 1 HHAF COc1cc2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2cc1OC 587123552 DPDCUJUYWIFSPV-UHFFFAOYSA-N 415.393 3.817 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587153818 ADTZKNNQGCKOCE-ZMZPIMSZSA-N 404.239 3.593 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 587195927 OPVHPYCTFWOAMO-UHFFFAOYSA-N 423.498 3.500 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)O2 587391246 QSVXWQNQAYKLBO-HCXLOTKHSA-N 402.450 3.923 0 1 HHAF COC(=O)c1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411645 FTQHQVYUZLINEX-KDOFPFPSSA-N 403.228 3.733 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O 587433372 WWZXLRAGJQUGRT-UPCLLVRISA-N 418.449 3.746 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1cccs1)(c1sc(C)nc1C(=O)O)[C@@H](C2)C3=O 587450761 KIKXHDRCPZKQTQ-YUNKPMOVSA-N 413.476 3.911 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O 587516204 ADMPNFDEIXRTPH-SBUREZEXSA-N 415.486 3.754 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592427 HCGOWCSXVJYGHD-WMZHIEFXSA-N 403.390 3.600 0 1 HHAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c2)c1 587932964 SOSCUBMLPTUJFS-UHFFFAOYSA-N 423.494 3.861 0 1 HHAF CC[C@H](NCCNc1nc2cccc(F)c2s1)c1nnnn1Cc1cccs1 653807596 WRQGAJSLTRABQK-AWEZNQCLSA-N 417.539 3.685 0 1 HHAF O=C(O)/C=C1/NN(Cc2nc3cc(C(F)(F)F)ccc3s2)C(=O)c2ccccc21 957626374 KODQZSCTFAQIRL-MDWZMJQESA-N 419.384 3.901 0 1 HHAF COc1cc2c(cc1OC)[C@](CSCC(=O)O)(c1ccccc1)N(C)[C@H](C)C2 962621378 JLGRLLLKLWGJKU-QRQCRPRQSA-N 401.528 3.642 0 1 HHAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962769534 SDGOBTFEGGAIGJ-FIKMYACPSA-N 405.416 3.775 0 1 HHAF CCCn1cc([C@@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1 963138935 IUCLHCXENUWICV-QRWLVFNGSA-N 420.535 3.568 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccc(OC(C)=O)c1)C(F)(F)F 963604928 FYBAPOMVDKOYHW-ODXCJYRJSA-N 409.404 3.969 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)N4CCC[C@H]4C)CC3)c2)c1 1772595678 MLDNJWBAASRVGP-LJQANCHMSA-N 420.557 3.865 0 1 HHAF COC(=O)[C@@H]1C[C@@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@@H]52)C4)[C@@]31CC[C@@](OC)(C(C)C)OC1 2356396120 BJEDIGDSPYXOHZ-XULSRKSJSA-N 417.590 3.713 0 1 HHAF CC(C)CN1CCC[C@H](O)[C@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 2356848982 PKHBNGYRFBALDZ-PKTZIBPZSA-N 414.521 3.616 0 1 HHAF O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@@H]46 263591644 IBBIDRLVXCGALA-NUYOEPGUSA-N 422.528 3.786 0 3 HHAF Cc1ccccc1NC(=O)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 4898077 BBNRINHDUCSGTO-UHFFFAOYSA-N 412.497 3.955 0 3 HHAF aggregator CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(Cl)c1 6919381 JGASVIJCMWIFLX-UHFFFAOYSA-N 402.299 3.747 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 27205841 MLCQZKBAXURDER-NRFANRHFSA-N 410.470 3.957 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@]12C 26383241 ZMAIFLOHRXCDQS-MTOTXGHYSA-N 418.622 3.959 0 1 HHAF O=S1(=O)N=C(Nc2ccc(F)cc2Br)Nc2c(O)cc(Cl)cc21 28822695 FOQSYIXDPXDTKX-UHFFFAOYSA-N 420.647 3.530 0 1 HHAF COc1cc(Nc2ncc3ccn(CCc4cccnc4)c3n2)cc(OC)c1OC 40563809 CDEPJOZGPLXGCF-UHFFFAOYSA-N 405.458 3.838 0 1 HHAF CC[C@H](C)Nc1cc(-c2[nH]c(SC[C@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40393262 GMZIOTLCLOPOAC-SUMWQHHRSA-N 416.522 3.934 0 1 HHAF CC(C)[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 40602259 KBRBDQUPSTVBGF-UCGXPXSYSA-N 420.553 3.875 0 1 HHAF CCN(CC)CCC(=O)c1cccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40379563 NPXDWWBCXAECOQ-HSZRJFAPSA-N 411.498 3.805 0 1 HHAF CC[C@H](CC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O 146661077 XBMFFUGFOFOFEO-CYBMUJFWSA-N 405.410 3.587 0 1 HHAF COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccccc1 473082637 JVXCCKLUNOLYJP-UHFFFAOYSA-N 417.490 3.874 0 1 HHAF COC(=O)C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596399 VMIKDCSATHZOOF-XUZZJYLKSA-N 404.418 3.898 0 1 HHAF CCOC(=O)C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616910 HFNSSYRMSNNEBU-DYESRHJHSA-N 411.435 3.659 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 587708166 ZNTMFCWNPMOLAU-RFAUZJTJSA-N 406.221 3.856 0 1 HHAF C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 587623288 PFCNMLANNIVEBN-IXCROMQBSA-N 415.291 3.797 0 1 HHAF CNC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341758 YHOOQJWUWRQBFG-UPVQGACJSA-N 405.425 3.922 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 587838149 ATJPOLNMMNRVQB-APBUJDDRSA-N 404.235 3.727 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3[nH]nc(I)c13)O2 587386927 MSAJCVGEPAJKKP-AWEZNQCLSA-N 419.222 3.765 0 1 HHAF O=C(O)c1ccsc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923001 LQSZZIMTESKOLM-ZWKOTPCHSA-N 411.435 3.633 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@]23NCCc2nc4ccccn4c23)cc1 962987503 MXXQBAUFAVUSPF-JWQCQUIFSA-N 411.461 3.701 0 1 HHAF O=C(O)CCC[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181940 IDMOILQPCBVVNX-YOEHRIQHSA-N 405.800 3.818 0 1 HHAF C[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C[C@@H]1O 1772636482 VOCREZZJJXIVFU-SGTLLEGYSA-N 417.387 3.894 0 1 HHAF CC[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 1772618544 KTMXDIROEKJXJK-CYBMUJFWSA-N 400.441 3.615 0 1 HHAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1cncn1 13803333 SXCPGBVLGDVEHO-UHFFFAOYSA-N 414.828 3.845 0 1 HHAF Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2-c2cccnc2)n1 205291812 KDJHSBLGDATOBG-ROUUACIJSA-N 422.496 3.894 0 1 HHAF CCOc1ccc(OCC)c(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 4626097 OCNRHDKZSIGUGR-MRXNPFEDSA-N 415.515 3.709 0 1 HHAF O=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCCCc1ccncc1 11786772 VALLIEMRNOCPMD-AREMUKBSSA-N 415.537 3.955 0 1 HHAF COc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13797389 BFJZBNCCNIPTEK-UHFFFAOYSA-N 413.384 3.521 0 1 HHAF CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)c1ccccc1 14827077 GZZZGRTUYOVNEC-SFTDATJTSA-N 408.406 3.794 0 1 HHAF biogenic CCCCCC(=O)N1CC[C@H](CC(=O)NCc2ccc3c(c2)OCO3)[C@H](CC)C1 25427660 XXMMMGABMLFVNE-RTBURBONSA-N 402.535 3.877 0 1 HHAF biogenic C[C@@H](COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)N(C)c1nc2ccccc2o1 27315099 UVPUFRHTTYUFDH-UGSOOPFHSA-N 411.483 3.626 0 1 HHAF COc1ccc(C(=O)NCCN2CCN([C@@H]3CCCCc4ccccc43)CC2)cc1 28014644 XXSIEEXPXQVBEJ-XMMPIXPASA-N 407.558 3.510 0 1 HHAF CCc1c(C(=O)c2cccc3ccccc23)n(COCc2ccccc2)c(=O)[nH]c1=O 28652509 VHIMFGGQAUTKKY-UHFFFAOYSA-N 414.461 3.658 0 1 HHAF c1cc(N2CCOCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1 34838218 AJRYTCKDSFVPCM-UHFFFAOYSA-N 405.487 3.570 0 1 HHAF COc1cc(Nc2ncc3ccn(CCc4ccncc4)c3n2)cc(OC)c1OC 36348681 JVMIOYCBQMUOQD-UHFFFAOYSA-N 405.458 3.838 0 1 HHAF CCCC(=O)N[C@@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C 45301908 PUOTWAGNQPDBFO-XMMPIXPASA-N 421.585 3.861 0 1 HHAF O=C(NCc1cc(=O)n2c(c1C1CC1)SC[C@H]2C(=O)O)c1cccc2ccccc12 71329197 KOXKPNUWFVCLRS-SFHVURJKSA-N 420.490 3.540 0 1 HHAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCC(C)(C)N(C)C 82082773 RSWRNINXDPNCRM-KRWDZBQOSA-N 418.563 3.525 0 1 HHAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179226 UPCSBQBKFCTKMV-UHFFFAOYSA-N 406.515 3.611 0 1 HHAF COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@H](c1ccco1)N2 84671433 SJIMATSYYBYLAH-HXUWFJFHSA-N 409.417 3.554 0 1 HHAF COc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633449 MYAKLRIXBOSQBL-YJBOKZPZSA-N 421.522 3.728 0 1 HHAF C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C 101500487 KLZCFIRMAFXIKI-ZXFNITATSA-N 405.506 3.504 0 1 HHAF CC(C)(N1CCCS1(=O)=O)[C@](C)(O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148347852 SJRGTBTUBXPBCK-OAQYLSRUSA-N 422.497 3.638 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](CCc3ccc(F)cn3)CC[C@H]2C)c1 169307298 WPHNPRFLOVEQIX-MSOLQXFVSA-N 407.493 3.983 0 1 HHAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c1 195464097 YUIOLTJERQAJEI-MEZHNXMLSA-N 414.461 3.505 0 1 HHAF O=C(Nc1nc2ccccc2s1)c1ccc(-c2ncc(C[C@@H](O)CO)cc2F)cc1 207224159 AMBUADZXQKAOQQ-MRXNPFEDSA-N 423.469 3.645 0 1 HHAF Cc1cccc(-c2ccc(-c3cnc(N)nc3)c(F)c2)c1S(=O)(=O)NC(C)(C)C 224758720 LHEBWOUBYIBNHQ-UHFFFAOYSA-N 414.506 3.917 0 1 HHAF O=C1c2ccccc2N/C(=C/N2CCOCC2)N1Cc1cc2c3c(cccc3n1)CC2 587212256 MIJHEYABGWTDHJ-KQWNVCNZSA-N 412.493 3.532 0 1 HHAF CC(C)CCOc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br 587254603 VOEOQVBGKULBSS-UHFFFAOYSA-N 408.296 3.756 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(I)cc31)O2 587386585 KDVBRVFQYRUGRA-GOSISDBHSA-N 405.235 3.989 0 1 HHAF CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425469 CYLVUAZUTHORJO-IVZQSRNASA-N 400.402 3.741 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3cc(C)ncn3)c(=O)c3ccccc23)c(O)c1 587665063 KYIUZADYMBVVGR-UHFFFAOYSA-N 401.470 3.703 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)n2C)N1 587685924 USILIYZUMBTPHA-FUXBKTLASA-N 403.093 3.708 0 1 HHAF COC(=O)COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587798767 ZEXCQDSMBQCVOK-NSPYISDASA-N 408.267 3.764 0 1 HHAF O=C1O[C@@H](CN2CCCCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 653782599 QKRMWTXCWPHLPQ-IBGZPJMESA-N 421.476 3.885 0 1 HHAF Cc1ccc([C@@H]2CN(CCCSc3nnc(-c4ocnc4C)n3C)CCO2)cc1 653802188 HOXIFZKRDKLRKX-SFHVURJKSA-N 413.547 3.643 0 1 HHAF CC(C)c1cccc2c1NC(=O)[C@]21N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962704076 UFAQTZANJYKYKR-JXFKEZNVSA-N 422.378 3.763 0 1 HHAF CNC(=O)c1cccc(OCCCCN2CCN(c3ccc4ccsc4c3)CC2)n1 1857639661 DSQTVJBLTBTKDX-UHFFFAOYSA-N 424.570 3.637 0 1 HHAF C[C@H](O)CCCC=CCCC(=O)C[C@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O 2356445228 YXATYAXRBGTMSM-QZNHQXDQSA-N 420.546 3.645 0 1 HHAF CO[C@@H]1C=C2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@H](c5ccc(=O)oc5)CC[C@@]34O)[C@@]2(C)CC1 2356568338 LJZHYURIHAAOET-MDSAMHQSSA-N 414.542 3.787 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 72135806 PTWYSOSBUMTNCE-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CNc1ccccc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1 3796428 BGUBFYAMSVDVFX-UHFFFAOYSA-N 423.586 3.670 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN(CC)CC)c1 4049431 KDJZDXVZUFQENK-GMAHTHKFSA-N 409.530 3.635 0 1 HHAF COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c(OC)c1OC 4211372 MSOFXCYTYOJVKB-FUHWJXTLSA-N 418.877 3.546 0 1 HHAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](OC)c2ccccc2)C(=O)O)cc1 13445267 SCNQOQOEHOZDPQ-JTHBVZDNSA-N 419.477 3.862 0 1 HHAF CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(Cl)cc(OC)cc1OC 13794940 KNGVVGNPWFRWAQ-UHFFFAOYSA-N 404.902 3.816 0 1 HHAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@H](C)O[C@H](C)C1)C(F)(F)F 34802051 YRAUBPBLFNFPPH-BIENJYKASA-N 407.448 3.905 0 1 HHAF CC(C)=CCC/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1 38262298 DBTJBVAPSHUCIT-SQWZYUPQSA-N 405.560 3.975 0 1 HHAF O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccnc2)CC3)c1 40866127 NLRNLTPNVGUFQX-REWPJTCUSA-N 404.466 3.753 0 1 HHAF OCCNc1nc(Nc2cccc(Cl)c2)c2ncn(CCc3cccc(O)c3)c2n1 42201501 DCBBADYVMXYVQV-UHFFFAOYSA-N 424.892 3.576 0 1 HHAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1c(Cl)cccc1Cl 68576373 TVOURNSWZMUOPO-UHFFFAOYSA-N 403.209 3.692 0 1 HHAF biogenic COc1ccc(Oc2nc(NCCCCCO)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 82066797 MDNJUMUSCHPZNE-IRXDYDNUSA-N 415.538 3.729 0 1 HHAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 82177659 ZDPIBHWJOBWCBN-GHTZIAJQSA-N 414.521 3.761 0 1 HHAF COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)CC2 95589834 KCRHWJZSPZQRHP-UHFFFAOYSA-N 404.470 3.617 0 1 HHAF CCCC[C@H]1OC(=O)c2cc(NC(=O)c3ccc(OCCO[N+](=O)[O-])cc3)ccc21 95602475 XXSGLHVDIRNMMN-LJQANCHMSA-N 414.414 3.928 0 1 HHAF CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)nc4)n3n2)CC1 146186593 GJJVSRXRDRWYEN-UHFFFAOYSA-N 418.480 3.575 0 1 HHAF O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(Cl)cc2F)C1 147380852 RXYLBOFIYXBJMZ-UHFFFAOYSA-N 424.910 3.713 0 1 HHAF COC[C@H]1Cc2ccc(OC)c(OC)c2[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1COC 238740997 XXPBZAWBQMPGDH-HMFYCAOWSA-N 416.514 3.934 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1 261104160 HDDZEXAXEGCJCU-ICSRJNTNSA-N 402.498 3.606 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 587058621 HLEMHVRJYNNTPI-INIZCTEOSA-N 406.939 3.537 0 1 HHAF COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1F 587185080 WVJHCIYYMRPIFU-LBPRGKRZSA-N 411.218 3.558 0 1 HHAF COc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355764 ZWNAXEQQWDXQPJ-NFBKMPQASA-N 408.381 3.879 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncncc2Br)N1 587680300 PFLXRVGEUIRDAS-GLEZIHRCSA-N 415.104 3.938 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnn[nH]2)N1 587736621 SPBUHNVGDMEWPF-MLCYQJTMSA-N 405.246 3.672 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCN(C)CC2)N1 587764259 CQNNWRZISRAMNQ-QKKBWIMNSA-N 418.354 3.964 0 1 HHAF COC(=O)c1cc([C@]2(c3ccccc3)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c[nH]1 962618756 DQAARKKLBNGNCJ-IVCQMTBJSA-N 420.509 3.987 0 1 HHAF CCN1Cc2[nH]c3ccc(OC)cc3c(=NCc3ccc(OC)c(Cl)c3)c2C1=O 1772602504 JGFAJHTUXZKCEQ-UHFFFAOYSA-N 411.889 3.915 0 1 HHAF CC(=O)NCc1ccc(-c2cncc(-n3ncc4ccc(NC(C)C)cc43)n2)cc1 1857757608 SMELSAZFFPDNPV-UHFFFAOYSA-N 400.486 3.939 0 1 HHAF COc1cc(-c2ccc3nsc(N4C[C@H](C)O[C@H](C)C4)c3n2)cc(OC)c1OC 1911574332 UKBYWJHGPUQLOD-BETUJISGSA-N 415.515 3.998 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@@H]1CC(=O)NCc1ccccn1 2356290682 YXMODWRGEWQFAS-SFHLNBCPSA-N 400.567 3.650 0 1 HHAF COc1ccc(C[C@H](O)[C@@H]2CO[C@H](Cc3ccc(OC)c(OC)c3)[C@H]2C)cc1OC 2356572944 SWGSNNIJAYRWAL-TUXJCPBXSA-N 416.514 3.518 0 1 HHAF CC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1csnn1 4570772 LWMRUOXGUUPZOL-KRWDZBQOSA-N 414.556 3.898 0 3 HHAF COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c(OC)c1OC 769101 PLTZHPQCZMQOJZ-SJLPKXTDSA-N 418.877 3.546 0 1 HHAF Cc1cc2c(o1)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]2CN1CC[C@H](O)C1 1492505 SNCWTLUHFUIVAC-HNAYVOBHSA-N 423.340 3.630 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC 4153567 CFQIMGCYJGHZIT-ZLTNCQPASA-N 410.514 3.700 0 1 HHAF C/C=C(\C)C(=O)Oc1c(O)c(OC)c(O)c2c(=O)c(OC)c(-c3ccccc3)oc12 59772430 ODAKJIXAIBHVIC-VZUCSPMQSA-N 412.394 3.760 0 1 HHAF COc1ccc([C@H](CC(=O)Nc2ccccn2)N2Cc3ccccc3C2=O)cc1OC 8592289 APRATTNDLORJFG-IBGZPJMESA-N 417.465 3.825 0 3 HHAF CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc(Br)cc2)N3)C1 27527756 DWEOZCSYVIPVED-QZDDGCDVSA-N 404.333 3.693 0 1 HHAF CCN(CC)C(=O)c1ccc([C@H](c2cccc3cccnc23)N2CCNCC2)cc1 22453932 XLADLHOGPMXYHT-XMMPIXPASA-N 402.542 3.711 0 1 HHAF COc1ccccc1-c1cc(N2C[C@H](c3cc(F)c(F)cc3F)[C@@H](N)C2)ncn1 28823831 NAPVNDOANHIBED-KDOFPFPSSA-N 400.404 3.501 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)[C@H]1CC[C@@H](C2)N1 113225984 KHANLFXXTGWBLA-HRAATJIYSA-N 412.493 3.652 0 1 HHAF CC[C@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)cc1 39033875 UTKVKYWAOULRJL-AHIWAGSCSA-N 424.485 3.526 0 1 HHAF COc1ccc([C@@H]2/C=C/CN(C(=O)C3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 36388570 DXTNEYKWSUJKDR-ZZTDINLMSA-N 408.473 3.713 0 1 HHAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCOCC4)n3n2)cc1 72182857 NZZPABNMUMJLMU-UHFFFAOYSA-N 417.488 3.947 0 1 HHAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C1 82217031 VSZJJSAJGXHGMX-IRXDYDNUSA-N 412.509 3.770 0 1 HHAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82142494 GAARRCCUCCNMNL-UHFFFAOYSA-N 406.486 3.544 0 1 HHAF Cc1cc(C(=O)N2CCC2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40893303 GSBSYJKJMPFSRX-SFHVURJKSA-N 414.889 3.883 0 1 HHAF Cn1cc(N2C(=O)c3c(cnn3C3CC3)[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O 220399832 DDCDPEKGXFRTDS-KRWDZBQOSA-N 415.280 3.973 0 1 HHAF Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)N(C)O)c(F)c2)no1 45338923 WKXLUCPCJXJXAJ-UHFFFAOYSA-N 409.780 3.569 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)c2)cc1Cl 195404260 UHMSREPIEKGVDP-VLSDQLEDSA-N 422.868 3.912 0 1 HHAF CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 95599628 JRAMSLVFHPWIHG-NLFFAJNJSA-N 424.541 3.665 0 3 HHAF Cc1ccc(OCC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 145731484 GCHFODVDRHDRJU-UHFFFAOYSA-N 403.486 3.983 0 1 HHAF COC(=O)[C@@]1(C)C2=C(CC[C@H]1OC(C)=O)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)CC2 95563024 UXGNFHQNRCSBPH-QJAXDWLUSA-N 416.470 3.885 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)Cc3ccc(cc3)CC(=O)Nc3ccc(cc3)[C@H]1C2 253639677 MTTQVAJJGOFFBH-AFXVXQJMSA-N 404.510 3.533 0 1 HHAF COc1c(C)c(OCC=C(C)C)c2c(c1C(=O)O)C(=O)N([C@H](CC(C)C)C(=O)O)C2 31167407 YXEOLDODWFOQJL-OAHLLOKOSA-N 419.474 3.502 0 1 HHAF biogenic COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccc(O)c1 299883054 QSMLDVGDBLTLRF-LDYFCKCXSA-N 413.470 3.797 0 1 HHAF COC(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1 586966192 JBGCQQXAMDLBMY-UHFFFAOYSA-N 420.498 3.554 0 1 HHAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587234731 IIIWXPBALLUGJD-STQMWFEESA-N 400.276 3.754 0 1 HHAF Cc1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 587940153 NATIUHJXZNLNQT-UHFFFAOYSA-N 412.247 3.602 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3cc(C)on3)c(=O)c3ccccc23)cc1OCC 587668441 BXNVXTQOYZTMAA-UHFFFAOYSA-N 419.437 3.846 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 587794063 SOOLGAZBVLSDLH-PRWKNARSSA-N 401.279 3.659 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)C5CCOCC5)[nH]c4c3)o2)cc1 586913174 JAOIACRGRCJGPS-LJQANCHMSA-N 406.442 3.749 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccccc12 587843969 VKAQVMBWENHFMU-DGIBIBHMSA-N 404.235 3.727 0 1 HHAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 587329590 CYZWUQNUXTWKRE-NFBKMPQASA-N 407.372 3.901 0 1 HHAF COC(=O)c1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cn1 587232354 QZCFKLSZHOZJSQ-UHFFFAOYSA-N 423.473 3.709 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587772107 VCNGOCDESGSKBC-BIBXISHDSA-N 417.278 3.784 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(-c3ccc4c(c3)OCO4)no2)N1)C(F)(F)F 962765751 NEQJFPSCXPDFSY-BEFAXECRSA-N 416.355 3.805 0 1 HHAF Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)NC(=N)CCC3(F)F)c2)co1 1772615194 BWFWHBMZSDOQJG-KRWDZBQOSA-N 402.323 3.831 0 1 HHAF 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HHAF O[C@](CN(Cc1ccc(Cl)cc1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F 1857580781 MSEZFLGBTITGQW-OAQYLSRUSA-N 418.875 3.762 0 1 HHAF CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)no1 1046978 XESCEOQHHPMQDU-UHFFFAOYSA-N 419.425 3.577 0 1 HHAF COCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 3975349 QRTTXLQPQIUZPS-LEWJYISDSA-N 405.535 3.543 0 1 HHAF COc1cc(-c2c3c(cc4c(OC)c5c(cc24)OCO5)COC3=O)cc(OC)c1OC 14638393 SIJVKLMCZBBMGR-UHFFFAOYSA-N 424.405 3.940 0 1 HHAF biogenic O=C(NC[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1)[C@H]1CCCO1 14994183 VGPKOPQQPSUYOP-IEBWSBKVSA-N 407.388 3.851 0 1 HHAF CCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 28007981 QSEWBONWOPSITJ-JXOMPUQVSA-N 405.458 3.707 0 1 HHAF CC(=O)c1ccc(OCc2ccc(Oc3cc(-c4nnn[nH]4)ccn3)cc2)c(C)c1O 35901666 AJLRUYZRQDKJFI-UHFFFAOYSA-N 417.425 3.850 0 1 HHAF Nc1nnc(SC[C@@H](N)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 40412579 JPXLGOBVNVPEMG-ZDUSSCGKSA-N 415.544 3.751 0 1 HHAF COc1cc(C(=N)NC(C)C)ccc1-n1cc(-c2ccc(C(=N)NC(C)C)cc2)nn1 45321591 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CCOc1ccc2ccccc2c1C(=O)N1CC[C@@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1 261096467 FMDLLJUHVSZUIY-CTNGQTDRSA-N 416.525 3.996 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CCCC(=O)CC4)[nH]c3c2)cc1 586888834 YUWHOFNVUGOBKR-AWEZNQCLSA-N 413.499 3.989 0 1 HHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587001600 UFCWOAMVVGYAPC-SUMWQHHRSA-N 413.279 3.773 0 1 HHAF CN(C)C(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587172222 DHBLHECXNQJASI-UHFFFAOYSA-N 408.408 3.860 0 1 HHAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl 587550848 CFIUFXLCTUFJEA-QFBILLFUSA-N 411.797 3.930 0 1 HHAF CC(C)(C)OC(=O)N1CC(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587583200 QWYWCDTXEZYIFK-RBUKOAKNSA-N 411.454 3.979 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 587598046 WBPWBEOXIVGAAF-BXVHLGLYSA-N 423.465 3.979 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598525 BKDRVKYUSSJCSE-YKSBVNFPSA-N 420.417 3.821 0 1 HHAF CN(C)CCNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O 653692136 QEZAMWWZGPMSCM-UHFFFAOYSA-N 422.506 3.750 0 1 HHAF CC(C)CNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653727838 RMECZRFXTLRPHG-NRFANRHFSA-N 403.482 3.716 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@@]31C(=O)Nc2c(C)ccc(Br)c21 963059158 SRENAMLEXORDQE-NRFANRHFSA-N 424.298 3.656 0 1 HHAF COC(=O)CN1C=C[C@]2(c3cccc(OC)c31)c1c(F)cccc1C[C@@H]1CCCN12 963103873 LWDOKIBCBSKKNZ-XDHUDOTRSA-N 408.473 3.605 0 1 HHAF CCOC(=O)C[C@]1(C[C@H](O)c2ccccc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963607680 JXWGDWUNUFFFOC-MTJJIEKYSA-N 413.514 3.510 0 1 HHAF Cc1sc([C@@H]2CCCN2C(=O)CN(C)C)cc1C(=O)Nc1ncc(Cl)s1 1857536824 NVNLIFCEZYTQPS-LBPRGKRZSA-N 412.968 3.644 0 1 HHAF COC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857554729 NUPHQOUYCZAXCO-QGZVFWFLSA-N 400.431 3.639 0 1 HHAF COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4ccn(C)c4c3)C[C@H]2C)c(F)c1 1911584830 PZZKJQMEYAZTNB-HZPDHXFCSA-N 423.488 3.701 0 1 HHAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@](C)(O)[C@@]2(C)C(=O)CCOC(=O)Cc2cc(O)ccc2O)C1 2356829640 JAPUOJHCQMSTEY-YXNDMVGGSA-N 416.514 3.522 0 1 HHAF COc1cc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)cc(OC)c1OC 84466311 RMRXBSPVFPSSPH-UHFFFAOYSA-N 420.469 3.913 0 3 HHAF CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041583 LKAHEQLXMWYOBF-FCIYXJNOSA-N 422.566 3.844 0 3 HHAF COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 13517507 ODHPQKBPZNUARX-JOCHJYFZSA-N 405.494 3.980 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(=O)O)[C@H]21 26153295 ZXAJNDWFQLRHQS-DYFCVHNVSA-N 406.519 3.678 0 1 HHAF CCN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1 40862367 QLSHLXSLTKMHKR-UHFFFAOYSA-N 421.522 3.956 0 1 HHAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NC3CCCCC3)c2cc1OC 82119652 GEOVUDGUVCIKCD-OAHLLOKOSA-N 400.523 3.600 0 1 HHAF CC[C@@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82207985 UMWQMPSWAUIEBD-CYBMUJFWSA-N 411.333 3.637 0 1 HHAF CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(F)ccc2c1=O 95572492 DCAQOIFRIIZYDR-HRCLSFSHSA-N 414.521 3.858 0 1 HHAF COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)NC(C)C)[C@H](CO)N3C)cc1 95878099 IDGQQXFKIOSAER-VJBMBRPKSA-N 409.530 3.654 0 1 HHAF COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)cc1 96928811 KJMXIYYOCRCVFT-UHFFFAOYSA-N 419.464 3.571 0 1 HHAF OCC1=C[C@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@@H]12)C3 102229639 HRIGHPKJBOCXKN-RBBFZAHSSA-N 412.618 3.661 0 1 HHAF Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@H]2Cc2ccc(O)cc2)cc1 103241365 DSDRYQFIXFFRBS-HXUWFJFHSA-N 409.507 3.895 0 1 HHAF CCOP(=O)(CCCn1cc(Cn2cnc3cc(C)c(C)cc32)nn1)OCC 103281624 JWMSZFTVODPWJV-UHFFFAOYSA-N 405.439 3.949 0 1 HHAF O[C@H](N1CCC[C@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1)C(F)(F)F 118718651 TYIKZIHQTXJZEF-LIRRHRJNSA-N 403.408 3.594 0 1 HHAF CCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)O3)nn2-c2ccccc2)c1 169707219 ZQRXTXKNOYBJGV-HXUWFJFHSA-N 404.470 3.929 0 1 HHAF O=C1N[C@@H](c2ccccn2)CC[C@H]1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 209076106 SQYMXIQFTGVGME-NVXWUHKLSA-N 403.404 3.647 0 1 HHAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@H](C(F)(F)F)C4)ccc23)cn1 221608849 FRAHVWASIZPVJR-HNNXBMFYSA-N 417.435 3.509 0 1 HHAF CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224721405 BUDBRTYYMNEWIM-UHFFFAOYSA-N 411.380 3.954 0 1 HHAF N[C@H]1CC[C@H](NCc2ccc(O)c(C(=O)NCc3ccc(Cl)c(Cl)c3)c2)CC1 254153147 TWWXTCIIDGMACU-WKILWMFISA-N 422.356 3.989 0 1 HHAF Cc1c(Br)cnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 586920629 OEPMYVSIXJNVTE-UHFFFAOYSA-N 420.332 3.534 0 1 HHAF O=S(=O)(CCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc2c(c1)CCC2 586921116 YISFDMFEUVEKKW-UHFFFAOYSA-N 423.307 3.970 0 1 HHAF CCOC(=O)C(C(=O)OCC)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587106571 LNSBNBGSAHHTMZ-UHFFFAOYSA-N 403.434 3.964 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1sc(-c3ccc(C)n3C)nc1C)O2 587413070 LUQZKJCBUBZSTQ-NRFANRHFSA-N 411.483 3.601 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cccc(F)c1I)[C@@H](C2)C3=O 587426754 FNQNSJBBPZAUOH-APPDUMDISA-N 410.182 3.928 0 1 HHAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587752255 DOUDFZXUHBDWGK-IZDJOXEWSA-N 407.327 3.983 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 587761308 PCWZSFYFLGIORJ-PRWKNARSSA-N 417.278 3.634 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587806110 JENNPNVFZQTFCY-CGQHOMIXSA-N 404.279 3.831 0 1 HHAF CC(=O)[C@H](C(C)(C)C)[C@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148864 PBWROUOPLNJZNN-LRDNONRASA-N 410.536 3.856 0 1 HHAF Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 61923905 LBEMSNVHEADUTJ-AABGKKOBSA-N 408.527 3.715 0 3 HHAF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Cl)cc12 4483737 NMBXQMWMSXBPRP-UHFFFAOYSA-N 415.906 3.610 0 1 HHAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(Br)cc1)C(=O)O 13758256 MHOZMXFWPYYKBC-KRWDZBQOSA-N 419.337 3.576 0 1 HHAF CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(S(C)(=O)=O)cc1 13826791 SEVDAWVTRVHENK-UHFFFAOYSA-N 418.490 3.671 0 1 HHAF COCc1nn2c(=O)cc(CCc3c(C)n[nH]c3C)[nH]c2c1-c1ccc(Cl)cc1 19578942 NZQLHYRMUSPLND-UHFFFAOYSA-N 411.893 3.615 0 1 HHAF CCN1CCC[C@H](Cn2c(-c3ccccc3OC)nc3ccc(OC)cc3c2=O)C1 28711885 YFYZDRDBSOIHOR-KRWDZBQOSA-N 407.514 3.813 0 1 HHAF CC(C)N1CCN(C(=O)c2ccc([C@H](CCN(C)C)Oc3ccccc3)cc2)CC1 28892838 CPVIJSYBBQJOPU-DEOSSOPVSA-N 409.574 3.925 0 1 HHAF C[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]1[C@@H]2CC[C@@H]3C 38727385 PTEFDUPVJURSMS-FVSVLNFLSA-N 406.607 3.667 0 1 HHAF CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1 40972636 KITBABOYAHPNCD-UHFFFAOYSA-N 418.541 3.698 0 1 HHAF O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 49036395 NZDDSVZRFYCJOD-UHFFFAOYSA-N 401.495 3.716 0 1 HHAF O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccccc1 64503554 YPNVSGHDSJGBEO-UHFFFAOYSA-N 410.359 3.995 0 1 HHAF CCCCCN1C(=O)[C@@](CC(=O)N(C)C)(c2ccc3c(c2)OCO3)c2ccccc21 71332067 ZQEBHBWZOOZNMN-DEOSSOPVSA-N 408.498 3.717 0 1 HHAF Cc1sc2ncnc(N3CCC(CNCC[C@H]4CCCCN4C)CC3)c2c1C 146353727 FLYIZUDEYXJSEO-LJQANCHMSA-N 401.624 3.989 0 1 HHAF CC(C)(NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1)c1nccs1 207728270 WUKJRTXYZKDQEN-UHFFFAOYSA-N 401.532 3.886 0 1 HHAF CN1CCC[C@H]1c1ccc[n+](CCCCCCNC[C@H]2CCc3ccc(O)cc3O2)c1 473115537 UEHARNLMUOFGOF-RPBOFIJWSA-O 424.609 3.990 0 1 HHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586918355 XHUMZIRSXAFNAK-NTKDMRAZSA-N 405.498 3.612 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586974539 VEHDZSKTAKIUCZ-IBGZPJMESA-N 409.490 3.998 0 1 HHAF COC(=O)c1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1OC 587061258 SVPYAIQRFOKYOR-UHFFFAOYSA-N 409.833 3.718 0 1 HHAF Cc1csc([C@@](O)(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C(F)(F)F)n1 587094929 WOVPANKUVXYXFT-INIZCTEOSA-N 411.384 3.645 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(=O)O)cccc2[nH]1 587181044 LXWGHCCUTBJZAJ-MRVPVSSYSA-N 410.215 3.700 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@@H]3[C@H]12 587352717 NMQDICCAUIOBBZ-VIVUAGOUSA-N 402.421 3.586 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(cc1Cl)OCCO2 587545012 FYNXENCLWVLSNO-JXFKEZNVSA-N 411.797 3.915 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cnc2c1OCCO2 587550386 ADCWBCVIHHJNMU-VQIMIIECSA-N 411.797 3.915 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587594292 NYQMKGZWMYCGAO-MZLICYQSSA-N 402.402 3.606 0 1 HHAF CCOC(=O)Nc1snc(C)c1[C@@]1(C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963643186 ZKZITYJVRCLDCV-BIBXISHDSA-N 405.520 3.835 0 1 HHAF CC1(NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)COC1 1772637941 KMJTXCWXJHEVRZ-UHFFFAOYSA-N 403.360 3.960 0 1 HHAF Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3)c(C(=O)NC3CCCC3)n2c1 1857579395 PCRRELVXIAYXEL-INIZCTEOSA-N 406.486 3.721 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C2CCCC2)[C@@H](C)C(=O)N3C)cc1 1857749478 KSEJLMCYOJFZHE-INIZCTEOSA-N 413.543 3.910 0 1 HHAF CCC[C@H]1c2c(CO)c[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356361915 BESMSBQFWIBHRJ-RTBURBONSA-N 411.498 3.909 0 1 HHAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1 777191 VPOHVVIQPXQIJF-HZPDHXFCSA-N 402.491 3.690 0 1 HHAF CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 26838389 YUYHHCMCZVLAMB-UHFFFAOYSA-N 410.470 3.855 0 1 HHAF O=C(CCN1CCC(Cc2c[nH]cn2)CC1)Nc1ccc(CN2CCCCC2)cc1 28570294 FAHXKNLVJXERKY-UHFFFAOYSA-N 409.578 3.679 0 1 HHAF CSc1ccc(NC(=O)Nc2c(C(C)C)n(C)n(C3=NCCS3)c2=O)cc1 38157788 AILRBWXTHGHPIV-UHFFFAOYSA-N 405.549 3.627 0 1 HHAF COC(=O)c1ccc2c(c1)nc(Nc1cccc(F)c1)n2C[C@@H](O)c1ccccn1 45302853 WADVBQWFIHCBNU-HXUWFJFHSA-N 406.417 3.834 0 1 HHAF Cc1cc(-c2cc3c(=O)[nH]cc(-c4cccc(NS(C)(=O)=O)c4)c3s2)ccn1 72176710 QXYCBGLMDWLKAR-UHFFFAOYSA-N 411.508 3.999 0 1 HHAF Cc1ccc(/C=C/CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C 73220509 OQYCEXVXYNTZJY-JFDDCEBESA-N 404.507 3.747 0 1 HHAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(F)cc2)C1 82140131 CZVYNRAXIUEKAE-HOTGVXAUSA-N 400.498 3.992 0 1 HHAF N[C@H](COCc1ccccc1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 84741655 ONBMKUYMFODTNV-CYBMUJFWSA-N 411.405 3.678 0 1 HHAF COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCC1(O)CCCC1 85633005 LRRHVQVFDSFSRL-UHFFFAOYSA-N 412.438 3.954 0 1 HHAF biogenic,in-vitro O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F 95894365 UCMLOBLUNXRBKB-RBZQAINGSA-N 420.459 3.954 0 1 HHAF O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1Cc2ccncc2C1 166694035 JLTGFXWUCKACAO-UHFFFAOYSA-N 412.446 3.569 0 1 HHAF CCn1cc(-c2cnc3ccc(N(CCN)c4cc(OC)cc(OC)c4)cc3n2)cn1 204171192 SKIAWPBWOAQQEZ-UHFFFAOYSA-N 418.501 3.627 0 1 HHAF COc1ncccc1[C@@H]1NC(=O)NC(C)=C1c1nc(-c2ccc(C#N)cc2)cs1 206338485 ZIPSONCPHCHXKA-SFHVURJKSA-N 403.467 3.870 0 1 HHAF NC1=N[C@]2(CO1)c1cc(-c3cnc4ccccc4c3)ccc1OC1(CCC1)C21COC1 220721737 NXLOZNMRWJNNJD-RUZDIDTESA-N 413.477 3.774 0 1 HHAF COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 299811790 DJZLXXVDCSALDG-LPHOPBHVSA-N 423.513 3.555 0 1 HHAF COc1cc(OC)c2[nH]c(COc3c(C=O)cc(Br)cc3OC)nc2c1 586979870 DVEKVJKRXZCYLW-UHFFFAOYSA-N 421.247 3.743 0 1 HHAF Fc1cnc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006800 PFGVHJVSBYTTAQ-UHFFFAOYSA-N 411.032 3.937 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)Cc5cscn5)[nH]c4c3)o2)cc1 587029088 HJQFJESVUBGSDK-MRXNPFEDSA-N 418.482 3.988 0 1 HHAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)nc1-2 587076419 SHCKVROKBSXFJH-UHFFFAOYSA-N 400.151 3.878 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132467 QRCGCEUNBRXANA-JTQLQIEISA-N 415.824 3.973 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2OC(=O)[C@H]1c1ccccc1 587408734 NZVQFQYJCXJEPZ-ZJSXRUAMSA-N 401.418 3.846 0 1 HHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CC(=O)O 587591039 FMQQNOXVOPAYQZ-QPPBQGQZSA-N 420.417 3.905 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCOCC3)o2)N1 587774893 QFVQEXIMRVMEFY-BUXKBTBVSA-N 409.299 3.637 0 1 HHAF Cc1nn(Cn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)c(C)c1Cl 587874083 POBHXGHWBBKGJQ-UHFFFAOYSA-N 412.812 3.652 0 1 HHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)N1 962951952 PHWDMRFUIRPLMV-XKTHOGMJSA-N 400.519 3.805 0 1 HHAF COc1ccc2c(c1)[C@](c1cccc(CN3CCN(C)CC3)c1)(C1CC1)N[C@@H]1CC[C@H]21 962991625 DOBUVOTXKMSYTF-ZRJLEYOISA-N 417.597 3.945 0 1 HHAF CN(C)c1cccc([C@@]2(CCCCC(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963024416 NFYMYOKTUUKVLF-SSOJOUAXSA-N 421.541 3.695 0 1 HHAF COc1ccc(OCC(=O)NC2CC2)c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963090181 IGWWTXXCDZLZCK-XDHUDOTRSA-N 410.489 3.602 0 1 HHAF C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177416 IMUCYVQYIXVOSV-SGTLLEGYSA-N 413.779 3.950 0 1 HHAF Cc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc2c1=O 1772612939 GELQJOQQFGAGAR-SFHVURJKSA-N 409.917 3.884 0 1 HHAF CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OCn2cc3cc[nH]c3c2)c1 2356359588 NZVYQXWYPUMYQY-AZUAARDMSA-N 414.502 3.515 0 1 HHAF CC[C@H](C)N(CCNC(=O)C[C@H]1Oc2ccc(C)cc2NC1=O)C1CCCCC1 5069961 UQEQFXDUZFOSKU-LAUBAEHRSA-N 401.551 3.634 0 3 HHAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NC[C@H](O)CC 774034 WFTGRVAEWBJDLZ-MRXNPFEDSA-N 410.470 3.917 0 1 HHAF Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2C2CCCCC2)no1 2925140 UMQQJCNZBKETQG-UHFFFAOYSA-N 404.517 3.990 0 1 HHAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)cc1 4044920 XBZJNGUWOCVRKP-ISKFKSNPSA-N 421.541 3.827 0 1 HHAF COC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4958646 HHCXZSAREPTSDJ-MRXNPFEDSA-N 406.935 3.792 0 1 HHAF CCO[C@@H]1Oc2cc(OC)c(OC)cc2-c2c1oc1cc(OC)cc(O)c1c2=O 14715277 KLMKGDIYOORAED-OAQYLSRUSA-N 400.383 3.619 0 1 HHAF biogenic O=C(OCCCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 27560210 AYXWEHKMEUGCBR-JOCHJYFZSA-N 415.555 3.937 0 1 HHAF Cc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 27618526 ZUSRTVWCIUMUCE-MRXNPFEDSA-N 422.428 3.838 0 1 HHAF COc1ccccc1-c1cc(CNCCN2CCN(c3ccc(C)cc3C)CC2)on1 28641197 GKFBOAPWTJBRLW-UHFFFAOYSA-N 420.557 3.879 0 1 HHAF CCCC(=O)Nc1c2c(nc3ccccc13)CCN(S(=O)(=O)c1ccccc1)C2 29252391 GSPODRLSIJRNGQ-UHFFFAOYSA-N 409.511 3.720 0 1 HHAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 31361242 DDVBPZROPPMBLW-VREWCFMQSA-N 421.559 3.860 0 1 HHAF in-vitro COCC/C=C/c1cccc([C@@]2(c3ccc(OC(F)F)cc3)NC(=N)N(C)C2=O)c1 35269351 OWWGQYLPNDSCHO-XRRIUQSZSA-N 415.440 3.578 0 1 HHAF COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 38498667 DMWHVSVEFWNKGV-MXJQEEGESA-N 414.542 3.638 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(C(=O)CN3CCCCC3)cc1)C2 40380688 CWCQVROJVMGZID-QHCPKHFHSA-N 409.482 3.559 0 1 HHAF c1cncc(CNc2ccccc2-c2n[nH]c(Nc3ccc4c(c3)OCCO4)n2)c1 66111591 LISLBLWPKSNBGB-UHFFFAOYSA-N 400.442 3.994 0 1 HHAF COc1cccc(CNc2nc(NC[C@H]3CCCO3)c3cc(OC)c(OC)cc3n2)c1 82119787 XMXRQYCEEHDSCF-QGZVFWFLSA-N 424.501 3.859 0 1 HHAF COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCc2ccccn2)ccc1O 82177817 NZTQRZIZSSFSFQ-UHFFFAOYSA-N 418.501 3.913 0 1 HHAF COc1ccc(CC2(CCCCCCCC(F)(F)F)C(=O)NC(=O)NC2=O)cc1 95563322 GISWZMJMNJMSEO-UHFFFAOYSA-N 414.424 3.883 0 1 HHAF O=C1CN(Cc2ccccc2)C[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 95866228 RXASKZNMLSGTDG-GNKBHMEESA-N 416.496 3.664 0 1 HHAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cc(Cl)ccc1O 168447446 XSFGFXMHGGQXDI-UHFFFAOYSA-N 409.873 3.851 0 1 HHAF CC(C)(C)CC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195357500 RHYRXROSVKTLCJ-FOOAQGTESA-N 423.553 3.642 0 1 HHAF COc1ccc2c(C)c(CCc3nc4cnc(C(F)(F)F)[nH]c-4n3)c(=O)oc2c1C 586918861 RLSXSABAWYTJQP-UHFFFAOYSA-N 418.375 3.840 0 1 HHAF COC(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586961840 YIRDOIRSDSMCRL-GDLZYMKVSA-N 405.479 3.783 0 1 HHAF COc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1F 586974724 GOTMUZBPSWRBHK-MRXNPFEDSA-N 410.243 3.538 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)nc3[nH]2)cc1 587244399 HCTNBAKJIOCLBH-UHFFFAOYSA-N 412.247 3.860 0 1 HHAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591339 VIHKXWDDCUSQBQ-MBSDFSHPSA-N 405.406 3.920 0 1 HHAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593303 LFPGQMIBWLCXQG-NXQMDHLFSA-N 416.429 3.985 0 1 HHAF O=C(O)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598822 VLDCSSFVWAJRBI-OFNKIYASSA-N 406.390 3.949 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cn2cncn2)cc1 587657365 UWDOOFXDYAOHLU-UHFFFAOYSA-N 415.403 3.971 0 1 HHAF CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 587731192 KTHNVKOZLZOJAB-DGIBIBHMSA-N 407.258 3.872 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O 587836057 YRCZPPXCFYMFTA-UDTOPMKXSA-N 408.267 3.996 0 1 HHAF CN(c1ccc(-c2csc(-c3cccc(C(N)=S)c3)n2)cc1)S(C)(=O)=O 587923815 PZTBGUNBJWKJAW-UHFFFAOYSA-N 403.554 3.507 0 1 HHAF CC(=O)[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962661923 IMFVQCIECPBHNP-DHIUTWEWSA-N 408.885 3.819 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706728 OICCJYLQBXAAMM-ZHRRBRCNSA-N 417.550 3.741 0 1 HHAF CCCCC[C@@H]1CCc2c(sc(NC(=O)N3CCN(C)CC3)c2C(=O)OC)C1 1857599855 YQQQNXWXASXBRR-OAHLLOKOSA-N 407.580 3.999 0 1 HHAF CN(C)C(=O)c1ccc(N(Cc2ccc(Cl)o2)C(=O)c2ccc(O)cc2O)cc1 1857616412 OXQTXJIDMWRZLX-UHFFFAOYSA-N 414.845 3.893 0 1 HHAF CCn1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2c1C 1911570772 OPOLPOKSAULROC-UHFFFAOYSA-N 404.301 3.685 0 1 HHAF COc1cc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC 1911583527 KBDRPSKQRUYQSJ-UHFFFAOYSA-N 422.481 3.661 0 1 HHAF CC1=C[C@H](CNC(=O)c2cccc(F)c2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356824763 GYOKLHFHQTXHFW-TUNNFDKTSA-N 416.537 3.659 0 1 HHAF Cc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 61969822 PIQSWNGGGQVTLP-NRFANRHFSA-N 403.486 3.966 0 3 HHAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCC(C)(C)CO 772495 QLNUSVHFCDNPIS-UYAOXDASSA-N 416.905 3.575 0 1 HHAF CC=Cc1cc(OC)c(O[C@H](CO)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356335839 DUJNSKUXRWKFJS-KRWDZBQOSA-N 418.486 3.745 0 1 HHAF COCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 2489489 DXRPDDOBITUDJR-PZJWPPBQSA-N 416.562 3.748 0 1 HHAF Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)N[C@@H](C)c4ccccc4)c32)cc1 8604542 ZIHNUSUOKSVMMW-SFHVURJKSA-N 414.509 3.990 0 1 HHAF COc1ccc(CCNc2[nH]cnc3c4cc(OC)c(OC)cc4nc2-3)cc1OC 101824517 WDFZXZAPEXNUTJ-UHFFFAOYSA-N 408.458 3.752 0 1 HHAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccccc2OC(F)F)cc1OC 61895982 FRYSUUCATUBFLQ-OAQYLSRUSA-N 406.429 3.908 0 3 HHAF CCc1nc2ccc(C(=O)N(C)C(C)C)cn2c1N(CCC(C)C)CCN(C)C 61904676 YWIOVDAUYYFFPI-UHFFFAOYSA-N 401.599 3.791 0 3 HHAF Nc1ccc2cccc(OCCCNC(=O)c3cccc(OC(F)(F)F)c3)c2n1 28383602 FSOINXNNUNLJJD-UHFFFAOYSA-N 405.376 3.915 0 1 HHAF COc1cccc(Cn2c3ccc(NC(=O)Cc4ccccc4C)cc3c(=O)n2C)c1 61904196 RTVLGXLCVMFURA-UHFFFAOYSA-N 415.493 3.887 0 3 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@@H](O)C[C@@]21C 33820753 IGSFPMNAJAGINF-MODUEDPSSA-N 408.579 3.593 0 1 HHAF Cc1cc(C(=O)Nc2ccc3c(c2)CCN3[C@@H]2CCN(Cc3ccc(O)cc3)C2)no1 45191833 QDTPDBRXORGIGM-HXUWFJFHSA-N 418.497 3.578 0 1 HHAF O[C@@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 82084146 QRJVZDBEGCTEDI-AWEZNQCLSA-N 411.361 3.991 0 1 HHAF COc1cccc(OC)c1CNc1ncc(C(=O)NCC2CC2)c(-c2ccccc2)n1 82132975 SJJAMSDSLXJUFT-UHFFFAOYSA-N 418.497 3.913 0 1 HHAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1Cl 40380495 GCPGZOAACMUQNV-IBGZPJMESA-N 407.857 3.884 0 1 HHAF COc1ccc(CNc2nc(NC[C@@H]3CCCO3)nc3cc(OC)c(OC)cc23)cc1 82127297 SKCYASHPMKXTHH-KRWDZBQOSA-N 424.501 3.859 0 1 HHAF CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F 198921269 BSRXAWATLADJTQ-UHFFFAOYSA-N 423.466 3.605 0 1 HHAF O=C(Nc1cc(-c2ccncc2)no1)[C@H](Cc1ccccc1)NCc1cncs1 96284448 PNBPUIQNHYQYJJ-IBGZPJMESA-N 405.483 3.533 0 1 HHAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(Cl)nc5)n4)CCC3)cn2)cn1 96175504 UBJOASYKDVKMOY-UHFFFAOYSA-N 405.849 3.689 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CC(=O)Nc5ccccc54)ncc23)ccn1 261098745 FWAMNNOQRWENJI-QGZVFWFLSA-N 413.441 3.533 0 1 HHAF COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1 299865060 SNTRPLZPAKLWSA-SDHSZQHLSA-N 419.521 3.841 0 1 HHAF COc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961838 SZQYDDMKGPVLIK-WBAXXEDZSA-N 412.515 3.661 0 1 HHAF CCOc1ccc(-c2nn(C(=O)[C@H]3CCOC3)c(=O)c3ccccc23)cc1OCC 587668962 JIMVSBCZUVTNHR-INIZCTEOSA-N 408.454 3.538 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570988 KHEZHLILHHNQSO-SXYGSOHHSA-N 411.454 3.511 0 1 HHAF Nc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(-c2ccccc2Cl)n1 587060547 IICQBAVAZBVLGN-UHFFFAOYSA-N 420.904 3.755 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2c1 587095241 ZLFWOBRSAQELOM-SSDOTTSWSA-N 422.201 3.632 0 1 HHAF CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797608 MMTORMGDBUMEIJ-NSPYISDASA-N 414.315 3.886 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cncc(Cl)c3)c2)c2cncnc21 169707956 APVQQTFPWMCXID-UHFFFAOYSA-N 420.860 3.939 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3cccnc23)CC1 101472699 CSNYIKOIPYUMPR-VBQYBYOBSA-N 417.509 3.763 0 1 HHAF COc1ccccc1N1CCN(CCCn2c3c(c4ccccc42)CCNC3)CC1 231433850 IGPCWYHCHJWCMR-UHFFFAOYSA-N 404.558 3.508 0 1 HHAF Cc1c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 6075911 JSADJKNVSCUPDS-CQSZACIVSA-N 419.433 3.955 0 1 HHAF biogenic COC(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 13488840 GBDSYNHPPHBHMR-KUHUBIRLSA-N 416.905 3.627 0 1 HHAF CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)nc2)N=C(c2ccccc2)c2ccccc21 13733035 NGKCROPRWPNLFE-FQEVSTJZSA-N 419.872 3.697 0 1 HHAF O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccn1 13743428 WJVPMQFLGHFHDO-UHFFFAOYSA-N 408.477 3.732 0 1 HHAF CC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1CC(=O)NCCOC 25429775 LDUHJQAKSSUGRN-HUUCEWRRSA-N 415.456 3.738 0 1 HHAF biogenic C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 26157113 OGJFKUQJOKISDC-GCJKJVERSA-N 409.555 3.509 0 1 HHAF C[C@@H](C(=O)N(C)c1cccc(O)c1)C1(O)CCN(CCc2ccccc2Cl)CC1 27555251 OEXASHOOSCIEFD-KRWDZBQOSA-N 416.949 3.714 0 1 HHAF CC(=O)c1c(Br)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(Cl)c(Cl)cc12 28460702 UYCBDBVUQJGNCD-YNEHKIRRSA-N 423.090 3.554 0 1 HHAF COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1 45388877 CGNRUWDZGYKKEN-UHFFFAOYSA-N 415.444 3.614 0 1 HHAF O=C(Nc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1 64503569 IUMBGUOPTBQFGT-UHFFFAOYSA-N 410.359 3.995 0 1 HHAF CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 82171859 MVOZXYUUXRYEDC-SFHVURJKSA-N 421.607 3.662 0 1 HHAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cc(OCc4ccccc4)ccc13)C2 101316634 XHOQYFHYEDPLTL-PMACEKPBSA-N 418.541 3.897 0 1 HHAF COc1ccccc1OCCN[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 103217525 OBHJTUAGGFZJNL-DEOSSOPVSA-N 405.494 3.980 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 169688655 OEFDADDUKUVRTO-SJORKVTESA-N 409.467 3.719 0 1 HHAF COC1=C(C)C(=O)O/C1=C1/O[C@@H]2CCCn3c([C@@H]4C[C@H](C)C(=O)O4)ccc3[C@H]2[C@@H]1C 238733537 GZYSVEMTTMYHDO-FPHJXNNASA-N 413.470 3.713 0 1 HHAF CO[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261134047 LSKZCQKQGRUHKQ-QWFCFKBJSA-N 416.562 3.695 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586945318 DFQOVLACOCVKHC-UHFFFAOYSA-N 407.801 3.853 0 1 HHAF N[C@H](N=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586960367 PBRVGOPQPWNISE-CRICUBBOSA-N 421.320 3.790 0 1 HHAF Nc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1N 587054994 JQOIZKMKFXAQNJ-UHFFFAOYSA-N 400.269 3.911 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 587739095 TXPMADWRSOXHFG-XODWSEBVSA-N 417.294 3.907 0 1 HHAF COc1ccccc1N1CCN(c2ncnc3c2cnn3[C@@H](C)c2ccccc2)CC1 653723596 YXCLYEYNTSZAEF-SFHVURJKSA-N 414.513 3.771 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962631760 KXKRYYQLXPGBJR-FQRUVTKNSA-N 411.505 3.638 0 1 HHAF COc1ccccc1[C@@]1(CNC(C)C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962717864 VUWWLJCVMFASDE-NQIIRXRSSA-N 406.448 3.583 0 1 HHAF NC1=C(c2nn[nH]n2)[C@@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 1857612474 OOADKEKSUOQXMT-INIZCTEOSA-N 420.270 3.967 0 1 HHAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356299251 CPCFJNQTGBWBHN-QFBILLFUSA-N 417.868 3.742 0 1 HHAF CC1=C[C@H](CNC(=O)c2ccc(C)cc2)[C@H](C(C)C)C[C@@H]1CC(=O)N1CCOCC1 2356322136 ZDXLQHKOJGCZOJ-ZLNRFVROSA-N 412.574 3.828 0 1 HHAF CCOC(=O)c1nc(N2CCC[C@H](C(=O)OCC)C2)c2c3c(sc2n1)CCCC3 752907 QJRQKSZDFYNASM-ZDUSSCGKSA-N 417.531 3.526 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049335 NIXOJNSXYSKLMI-MJWYBRSISA-N 403.885 3.637 0 1 HHAF COc1cccc(Cn2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N(C)C)nc32)c1 4238202 QPZOSQKYQJIFLV-UHFFFAOYSA-N 421.888 3.630 0 1 HHAF Cc1ccc(-c2csc(=S)n2NC(=O)Cc2nc3ccccc3[nH]c2=O)cc1 103272704 YBTDLWDSMDFQJG-UHFFFAOYSA-N 408.508 3.804 0 1 HHAF COc1cccc(CNC(=O)[C@@H]2[C@@H](c3nc(O)c4ccccc4n3)[C@H]3C=C[C@H]2C3)c1 104997717 JINWDJLLNCPHMH-LRGYGIHKSA-N 401.466 3.566 0 1 HHAF C[C@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NCc3ccccn3)c1)c1ccccc1O2 100808482 KWWYOZBKAPXWBH-YKSBVNFPSA-N 414.465 3.781 0 1 HHAF O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccs1 114601497 FKKQLJVJIIRDRI-UHFFFAOYSA-N 423.535 3.576 0 1 HHAF Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(C)(C)O)c12 118816613 JNSQFHHZMKXIQY-JTQLQIEISA-N 404.467 3.520 0 1 HHAF C[C@]1(O)CCN(Cc2cccnc2)[C@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 2356627441 JBQLPKQWJJFMQT-GIWBLDEGSA-N 407.539 3.640 0 1 HHAF COC(=O)CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 38841184 XSJRZLZLXXYZDQ-CYBMUJFWSA-N 401.290 3.656 0 1 HHAF CN(C(=O)[C@@H]1CCc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71340850 UCCMVFFQDOSLQJ-YLJYHZDGSA-N 402.494 3.772 0 1 HHAF COc1ccc(C2=NN(C(=O)CO[N+](=O)[O-])[C@H](c3c(Cl)cccc3Cl)C2)cc1 43020452 BHPGDTLJKPTRSX-INIZCTEOSA-N 424.240 3.888 0 1 HHAF CC(=O)Nc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(=O)O)C[C@H]2C)cc1 40533188 IJOSWIDZDBURQU-HZPDHXFCSA-N 413.543 3.780 0 1 HHAF C1=C(c2ccccn2)CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1 84652882 LCTRTTFIEYYPEI-UHFFFAOYSA-N 410.591 3.682 0 1 HHAF COC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1[C@]21C=C(N)N(C)C1=O 146790684 NNDRHDSCYLMORV-FNEQHPHYSA-N 413.521 3.867 0 1 HHAF CC(=O)Nc1ccc(-c2cc(C)nc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 95560336 JGFGFZXZKZEVDQ-UHFFFAOYSA-N 403.486 3.991 0 1 HHAF COC(=O)[C@H]1[C@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 253819967 ZJFUMBPXVUQPSJ-BVIHXZOGSA-N 419.690 3.684 0 1 HHAF CCc1oc(=O)c(Cc2c(O)cc3c(c2O)C(=O)C[C@H](c2ccccc2)O3)c(O)c1C 59776072 OOCUGTZJHIRSOO-LJQANCHMSA-N 422.433 3.925 0 1 HHAF biogenic CCc1ccc(-n2cc(COC(=O)/C=C/C=C/c3ccc4c(c3)OCO4)nn2)cc1 299866706 WIFFJCLSPNLEOP-GGWOSOGESA-N 403.438 3.871 0 1 HHAF COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1F 587185075 WVJHCIYYMRPIFU-GFCCVEGCSA-N 411.218 3.558 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C(=O)O)[C@H]4C(=O)O)-c1ccccc1C2=O 587100752 HKKKNDOULFIXTA-XITNVPRNSA-N 401.418 3.816 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 587183434 YIEKERXGWZBFKI-ZCFIWIBFSA-N 422.057 3.984 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)cnc1Br)O2 587373054 PGBQZDWOJBFJKI-JTQLQIEISA-N 413.069 3.599 0 1 HHAF Cc1c(Cl)ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 587120633 BPCICXPVYVBATM-UHFFFAOYSA-N 409.799 3.949 0 1 HHAF CCOC(=O)CC[C@@]1(c2cc(C)cc(C)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030561 NXJOYZOYGVNVMN-BVZFJXPGSA-N 406.526 3.944 0 1 HHAF CCOC(=O)CCC[C@]1(C(C)C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980367 UJKVTJVNUTUPHZ-AUUYWEPGSA-N 403.853 3.802 0 1 HHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)N1 962951946 PHWDMRFUIRPLMV-JOVVQPSQSA-N 400.519 3.805 0 1 HHAF COc1nccc([C@H]2NCCc3cc4cccc(OC)c4nc32)c1NC(=O)C(C)(C)C 963065954 KKHKGQKSRZHYKQ-HXUWFJFHSA-N 420.513 3.867 0 1 HHAF Cc1ccc([C@H](O)Cc2ccc([C@H]3NCCc4c(C(=O)O)cccc43)c(C)n2)c(C)n1 963134995 VEEIZQUXSVGJQY-DNQXCXABSA-N 417.509 3.611 0 1 HHAF C[C@H](NC(=O)c1ccc(Oc2nc3ccccc3nc2NC(C)(C)C)cc1)C(=O)O 1772613821 ZHVHXZFHRXDPSB-ZDUSSCGKSA-N 408.458 3.835 0 1 HHAF O=C(NCc1ccc(F)cc1F)c1c(Nc2ccccc2)c2cccnc2n(O)c1=O 169352001 IRPZQQHAKKRNFT-UHFFFAOYSA-N 422.391 3.586 0 1 HHAF O=C(Nc1ccc(C2=CCN(C(=O)[C@H]3CC3(F)F)CC2)cc1)N1Cc2ccncc2C1 166195313 PAPZZYCWTHGANS-HXUWFJFHSA-N 424.451 3.900 0 1 HHAF COC(=O)c1c[nH]c2cc(OCCOc3ccccc3)c(Br)cc2c1=O 1857611167 LQGJAVGTQIDXEJ-UHFFFAOYSA-N 418.243 3.535 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](N5CC5)[C@@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 1857622839 ZFVBYRDTMKLTPA-ZZJGWYLNSA-N 415.574 3.639 0 1 HHAF Cc1ccc2c(c1)[C@H]1CC(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)C1=C(N)O2 1857639449 WMCZQHOFJQDOBA-OAHLLOKOSA-N 417.292 3.950 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3nc[nH]n3)cc(-c3ncccc3F)c2)nc1 1857755803 AMJXZXITZCXXTF-AWEZNQCLSA-N 402.433 3.867 0 1 HHAF C[C@@]12C(=O)N(Cc3cccc(Cl)c3)CC(=O)N1CCc1c2[nH]c2ccc(F)cc12 2108426 ZXOFYKVGROYZRR-JOCHJYFZSA-N 411.864 3.603 0 1 HHAF biogenic CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1 3581444 ZVSBKYYVBCKDBO-OAHLLOKOSA-N 415.444 3.543 0 1 HHAF in-vivo Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12 4826805 TVSLXXXEIRKPLY-CQSZACIVSA-N 416.499 3.685 0 1 HHAF CC[C@@H](C)NC(=O)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F 13387872 LMIJBROYIJMKEI-HICWGWBUSA-N 410.396 3.800 0 1 HHAF COc1cc2ncc(C(N)=O)c(Nc3cccc(Br)c3)c2cc1OC 13812997 SMPOMXVCIHTEMB-UHFFFAOYSA-N 402.248 3.857 0 1 HHAF CCCc1ccccc1OC[C@@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 27210218 ZGOJHWUAKDNQSW-BRLDDBHUSA-N 413.495 3.782 0 1 HHAF COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC[C@H](C)O)c1 40933245 FUVQIMGBMUYTHK-AWEZNQCLSA-N 416.522 3.912 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133094 HFFTUHMLFVOEPL-UHFFFAOYSA-N 416.481 3.793 0 1 HHAF Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(NCC(C)C)ncc3C)c[nH]2)c1 87612997 UDGHEMCLBPWTLR-HXUWFJFHSA-N 407.518 3.620 0 1 HHAF COc1ccc(OCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)cc1 205942197 HLGVBUMXLSDTEW-UHFFFAOYSA-N 413.905 3.667 0 1 HHAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCCC2)cc1F 216201650 BQUUNKHAYJKRJR-UHFFFAOYSA-N 420.934 3.755 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 261133265 LOOOARQIFZVUEX-LOTHZSBOSA-N 403.903 3.762 0 1 HHAF O=C1C[C@@H](Sc2nncn2-c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 299855459 BCFWUZCCNREWQA-OAHLLOKOSA-N 419.293 3.998 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 586945237 DOIXSKSDFYCQFJ-AWEZNQCLSA-N 419.934 3.957 0 1 HHAF COC(=O)c1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018546 GROMEURNKWFGAU-UHFFFAOYSA-N 407.451 3.835 0 1 HHAF NS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587068064 XSANZDODXPWOFG-UHFFFAOYSA-N 413.886 3.690 0 1 HHAF Cc1c(-c2nc3cncc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073339 GPDJXFNPCHSINA-UHFFFAOYSA-N 403.671 3.989 0 1 HHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587111341 AKTJXLUBIJUPDU-GOSISDBHSA-N 403.364 3.563 0 1 HHAF N[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C1COC1 587255874 RRVAKLBSKVHFJB-OAHLLOKOSA-N 408.355 3.619 0 1 HHAF C[C@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353239 MPBZYEMJRGHNOV-KIFXHHALSA-N 422.408 3.924 0 1 HHAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCC(=O)O)=CO1 587356666 QJJQSYDLCWXBBK-IFMALSPDSA-N 412.369 3.506 0 1 HHAF CCn1ccc(C(=O)Oc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)n1 587432754 RAYPTUJJBWMWHJ-VGSWGCGISA-N 404.422 3.620 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCC(C)CC4)cc1)[C@@H](C2)C3=O 587434989 CSHJNDFJFDYXPD-CPJSRVTESA-N 421.493 3.821 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 587726061 UAHIPDOKSJZIIP-WNWIJWBNSA-N 400.194 3.729 0 1 HHAF CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 587730424 IRZIRGDPSPKQOI-DGIBIBHMSA-N 407.258 3.872 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(-c3ccccc3)nn2)N1 587758235 IDNNNGOMXHSFBH-BUXKBTBVSA-N 401.283 3.967 0 1 HHAF COc1ccc(OCC(=O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795155 QTQIXBJJZHDXQB-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF O=C(O)Cc1ccc(-c2ccc(CN3CC(=O)N(c4ccccc4)C3=O)cc2)cc1 653783648 FPLOJGZQNBWMRW-UHFFFAOYSA-N 400.434 3.950 0 1 HHAF COc1ccc2c(c1OC)[C@@H](c1cccn1CC(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962571053 OMIXVVOHNSNUEF-YCRPNKLZSA-N 400.519 3.813 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962695062 CRKAPRMDPNIOPH-HXOBKFHXSA-N 413.514 3.785 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)c1c(C)nn(CC)c1C)C(=O)OC 963234169 UYDXCXUVQBMNDI-VOIUYBSRSA-N 411.546 3.818 0 1 HHAF CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(C)CC2 1772598275 OLWFSHRVTXHOAB-UHFFFAOYSA-N 417.504 3.611 0 1 HHAF COc1ccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c(OC)c1 1857595598 MWGYVEFNASDZKA-DEOSSOPVSA-N 401.466 3.611 0 1 HHAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 1857638011 XGDCQDJOXZATEA-UHFFFAOYSA-N 401.466 3.540 0 1 HHAF CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 95598899 MDWNKCZQBFHGRQ-QFIPXVFZSA-N 422.552 3.865 0 3 HHAF CCN1C(SCC(=O)N2CCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21 104023354 FCQJGWFWNFTQSF-HEHNFIMWSA-N 403.511 3.590 0 3 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 769533 MKJQIVBKGTXYKS-JTHBVZDNSA-N 421.472 3.935 0 1 HHAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 774157 HVVYESXREORYJT-IBGZPJMESA-N 418.449 3.944 0 1 HHAF COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)cc(OC)c1OC 6403618 ONDWGDNAFRAXCN-LYDRAKHJSA-N 400.427 3.516 0 1 HHAF biogenic,in-vitro C[C@H](O)[C@@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1 11687298 SMFRBBHLVBWHGB-ORAYPTAESA-N 424.888 3.998 0 1 HHAF in-vitro COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]23COC(=O)[C@H]13 13328609 IKYGYEXUWNBJNQ-HCPJWFBFSA-N 406.519 3.513 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1 13525812 CDDVHWKFFCJTOZ-UHFFFAOYSA-N 418.541 3.576 0 1 HHAF CC[C@@H](CO)Nc1nc(NCc2cccc(O)c2)c2nc(Cl)n(C(C)C)c2n1 13538263 WBLPJTMROPMBHM-ZDUSSCGKSA-N 404.902 3.561 0 1 HHAF Cc1ccc(CNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 13660661 FRAXAVQCOUNARD-ZPMCFJSWSA-N 400.482 3.782 0 1 HHAF COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3C)CC1 13779687 IUIOIGDUPSHYOT-UHFFFAOYSA-N 411.571 3.754 0 1 HHAF C[C@@H]1CN(Cc2cn3c(-c4cccc(Br)c4)nnc3s2)C[C@@H](C)O1 20151776 GQHSXUWSTJDWSG-VXGBXAGGSA-N 407.337 3.830 0 1 HHAF CCCc1c(OCCCCNc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28390229 GPLFEBNKOBGXJZ-UHFFFAOYSA-N 409.490 3.999 0 1 HHAF O=Cc1cn(C[C@@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)c2ccccc12 28894931 RYAVSNKINASQGU-HXUWFJFHSA-N 415.280 3.940 0 1 HHAF CCCOc1ccc(NC(=O)C(C)C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 28895762 TZNRULUQIKGIKC-UHFFFAOYSA-N 411.506 3.659 0 1 HHAF NC1CCN(c2nccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2Cl)CC1 38399585 DCWLWVQKMUBEHU-UHFFFAOYSA-N 402.970 3.609 0 1 HHAF O=C(O)c1cn(Cc2ccc(-c3ccc(Cl)nc3)nc2)c2c(F)cccc2c1=O 45339362 WPUBESFRLRTQGW-UHFFFAOYSA-N 409.804 3.998 0 1 HHAF OC(c1cnc(N2CCN(c3ccccc3)CC2)s1)(C(F)(F)F)C(F)(F)F 64539013 XSZDIVJAZXNTCC-UHFFFAOYSA-N 411.371 3.782 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 82209433 ANIGSPWILALZJK-SFHVURJKSA-N 410.543 3.593 0 1 HHAF O=C(c1ccccc1)N1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 103231651 JDTQYAMKPPWYQG-QFIPXVFZSA-N 419.912 3.852 0 1 HHAF Cc1ccccc1CN1CCC(N2CC[C@@H](n3c(=O)[nH]c4ccccc43)[C@@H](F)C2)CC1 169296708 UVNVDXZOLDWJKU-JTHBVZDNSA-N 422.548 3.888 0 1 HHAF CO[C@]1(C(C)C)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)O)C[C@@]42CN(C)C1 238731804 CJTKUZUOJCPZPE-NAHZXOMBSA-N 403.563 3.935 0 1 HHAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](SCCN)C[C@@H]1[C@H]2C(=O)OC 238735145 AICWVYNHUHODST-WIPHMKFCSA-N 413.587 3.513 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(c4ccccc4)C[C@H]3C2)n1C 253920704 NGVUDBRNEJJAEO-PGRDOPGGSA-N 409.559 3.924 0 1 HHAF CCOC(=O)[C@@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 261157070 QDFJWQQNNXWJLH-GCJKJVERSA-N 401.528 3.527 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586946148 SLVSJDAYYOPPQV-UHFFFAOYSA-N 423.800 3.733 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3cc(C)c(Br)cc3[nH]2)CC1 586951957 DAIWPAYBZGQDNK-UHFFFAOYSA-N 400.342 3.553 0 1 HHAF COc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Cl 587024301 UBCQGIGRLJABAB-UHFFFAOYSA-N 414.878 3.710 0 1 HHAF CN(CCc1nc2ccnc(N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193956 JWQALXUMNXEZHX-UHFFFAOYSA-N 413.481 3.964 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](NC(=O)C(F)(F)F)c4ccsc41)[C@@H](C2)C3=O 587420831 MHKWMOPNSYKCFM-IUUKEHGRSA-N 409.385 3.523 0 1 HHAF COc1cc2c3c(c1)OC1(CC4(CN(C(=O)OCc5ccccc5)C4)C1)[C@@H](C2)C3=O 587444893 SCISPIZRLKCQHI-SFHVURJKSA-N 405.450 3.614 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(OC)cc1C(=O)OC)CC2=O 587483160 VNZURUSLBKKAEC-IBGZPJMESA-N 400.427 3.855 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587709717 NTIAGUBZSYKRKN-ANRSDYALSA-N 404.205 3.736 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746422 MWLIMTNRQCUSOY-CUZVAXRPSA-N 421.310 3.787 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587783184 YZJQULIHHDBLHA-UHFFFAOYSA-N 423.494 3.765 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C)c(Cl)c1C 587868406 MRSOXBFLXVFGBD-UHFFFAOYSA-N 413.787 3.780 0 1 HHAF COc1ccc(C[C@@H](C)c2nc3cc(I)cnc3[nH]2)cc1OC 587927007 QQKBFIWTDLMOFC-SNVBAGLBSA-N 423.254 3.926 0 1 HHAF CS(=O)(=O)C[C@@]1(c2cccc(F)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962709454 OBPMFTLCWBGXTG-LAUBAEHRSA-N 423.550 3.617 0 1 HHAF C[C@]1(c2cnn3ccccc23)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921143 AOPBEDFDROPEQZ-URXFXBBRSA-N 415.449 3.695 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23NCCc2nc4ccccn4c23)cc1 962987501 MXXQBAUFAVUSPF-DQEYMECFSA-N 411.461 3.701 0 1 HHAF Cn1c([C@@H]2CCCN2C(=O)OC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)nc2ccccc21 1772578742 LHCWBKWHHYSBJC-ZHLBXLGJSA-N 422.529 3.527 0 1 HHAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCN(C2CCCC2)CC1 14956039 GJKWITSJTIJWPX-UHFFFAOYSA-N 407.873 3.747 0 3 HHAF Cc1ccccc1CN1CCN(c2ncc(C(=O)NCc3ccccc3)s2)C1=O 205215573 VCMCHVFLAHVOML-UHFFFAOYSA-N 406.511 3.824 0 3 HHAF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC 2484745 FAVQMCJPLXHQCX-UHFFFAOYSA-N 400.406 3.541 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)CC 4310525 YSQNGPQWKLZHPF-NQERJWCQSA-N 406.523 3.605 0 1 HHAF CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 13445405 KSRPSBGXBYSONY-UHFFFAOYSA-N 413.587 3.980 0 1 HHAF C[C@H](O)CCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 15261225 JPDHHIDMPUIHBY-ZFDCRLHWSA-N 424.582 3.606 0 1 HHAF Cc1oc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)nc1C[S@@](=O)c1ccccc1 20560161 QUCFDXLQQVAJHQ-ADSBAMQRSA-N 424.522 3.867 0 1 HHAF Cc1ccc(-n2nc3c4cc(Cc5cccc(F)c5)ccc4nc(O)n3c2=O)cc1 66251815 HVUJCJNWZSJPFQ-UHFFFAOYSA-N 400.413 3.777 0 1 HHAF COc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCOCC4)c3)nn12 73161201 VJIKTTNMNOTLSG-UHFFFAOYSA-N 401.470 3.985 0 1 HHAF Cc1cccc(C)c1Nc1nnc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)o1 73222920 UKZYRDWSZIELIH-UHFFFAOYSA-N 404.474 3.840 0 1 HHAF FC(F)(F)Oc1cccc(-n2nnc3ccc(NCCc4cccnc4)nc32)c1 73280685 IDGDWFBVXGQVKE-UHFFFAOYSA-N 400.364 3.764 0 1 HHAF CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1 95559497 FVHHRIHFFRQXRD-UHFFFAOYSA-N 422.577 3.878 0 1 HHAF CCCCNC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC 95583997 JWRWXNHLPMLNND-INIZCTEOSA-N 401.459 3.576 0 1 HHAF COC(=O)c1cc2c(OC[C@@H](N)Cc3ccccc3)ccc(Br)c2n1C 103224968 LCMSZZVFAGJSKC-AWEZNQCLSA-N 417.303 3.676 0 1 HHAF O=C1COc2ccc([C@@]3(O)c4ccccc4C(=O)N3c3ccccc3Cl)cc2N1 116254678 RUKPVCRQZBPQLI-JOCHJYFZSA-N 406.825 3.525 0 1 HHAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(-c3nccs3)nc12 136418760 JCUWOVITNZXHFK-UHFFFAOYSA-N 420.477 3.646 0 1 HHAF CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc(Cl)cc1 169351917 HPFZCPCQHLYXNV-KRWDZBQOSA-N 409.829 3.533 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@@H]4C[C@@H]4C)c3)C2)cc1 169709786 OBBNPTBEOJBVEB-DOAHWQAKSA-N 409.530 3.971 0 1 HHAF O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 299812861 DZSBJQYROJIKMG-NMLBUPMWSA-N 407.894 3.708 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990423 XLVGHKUSQRFSOO-OAHLLOKOSA-N 401.418 3.704 0 1 HHAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587024954 CYOBOGJEQJLUBF-QGTPRVQTSA-N 424.526 3.881 0 1 HHAF O=C1C[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)CN1Cc1ccc(F)cc1F 587149685 PRRWPIJEJLJGGO-SNVBAGLBSA-N 422.229 3.825 0 1 HHAF C[C@@]1(c2nc3cccc(I)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175357 YPXFLRHLWRLBRO-KRWDZBQOSA-N 422.197 3.935 0 1 HHAF Cc1ccnc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587333030 HGEUZXOPNYNJLZ-REWPJTCUSA-N 421.428 3.776 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc(Cl)cc12 587571123 PIPSACUKTOIXII-KKSFZXQISA-N 411.772 3.994 0 1 HHAF C[C@@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584687 AIXYNMHDRUDSLH-YKSBVNFPSA-N 401.418 3.769 0 1 HHAF COc1ccc(F)cc1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587736056 YSZCYALNSZUUNQ-DYBLOJMWSA-N 412.230 3.598 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnn2)N1 587761200 UBAVFRMQPYHQAL-BUXKBTBVSA-N 401.283 3.967 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1C[C@H](C)O[C@H](C)C1 587863096 CMFVOSJPNUGFDM-OKILXGFUSA-N 411.424 3.717 0 1 HHAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587936928 NCRKCQMZLMBPFC-MGPLVRAMSA-N 414.405 3.702 0 1 HHAF C=Cc1ccoc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC 653864180 WQFNQDJZYVMXNN-UHFFFAOYSA-N 402.834 3.804 0 1 HHAF COc1ccc2c(c1OC)[C@]1(C(C(=O)O)=CN(C)c3c(C)cc(C)cc31)N(C)[C@@H](C)C2 962635605 MABQBSBNUVMNFY-LMKMVOKYSA-N 422.525 3.859 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(=O)c3ccccc3[nH]2)N1 963180365 PWNAMPAFSZJTCQ-RDTXWAMCSA-N 422.790 3.889 0 1 HHAF O=C(/C=C/c1cnccc1-c1cnsc1)Nc1ccc(CN2CCOCC2)cc1 1772577169 WWGYFGUZQDCDTE-ZZXKWVIFSA-N 406.511 3.689 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC4CC4)ccc3[C@H]2C(=O)O)cc1 1772578837 UWBAFCYEHNRJJW-FYSMJZIKSA-N 422.525 3.857 0 1 HHAF O=C(c1ccccc1N=c1cc[nH]cc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 1772640039 MZMUCPXRPKLQJC-HXUWFJFHSA-N 410.481 3.593 0 1 HHAF CC(=CCC[C@@](C)(O)CCCC1=CCN(CC(=O)O)C1=O)CCC[C@H](C)CC(=O)O 2356835680 KUDATKSTLWHADF-FDDCHVKYSA-N 423.550 3.769 0 1 HHAF Cc1cccc2c1cc(C(=O)NCc1ccc(O)cc1)n2Cc1cccc(C(=N)N)c1 3831866 OSENNZKTSMDXMN-UHFFFAOYSA-N 412.493 3.918 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 100101304 YHLFTNYYESJZQO-JKHIJQBDSA-N 408.498 3.621 0 1 HHAF COc1ccc2c(C3CCN(CCCn4c(=O)[nH]c5ccccc54)CC3)noc2c1 27868955 OCEJQZZDZIQRIC-UHFFFAOYSA-N 406.486 3.749 0 1 HHAF COc1ccc(-c2ncc(C(=O)NN3CCCCC3)nc2-c2ccc(OC)cc2)cc1 28648871 CKIMQGCGMNRLMG-UHFFFAOYSA-N 418.497 3.959 0 1 HHAF CCN1CCN(CCCOc2ccc3c(c2)CN(C)C[C@@H]3c2ccc(OC)cc2)CC1 28818107 CCXHRSBOCZSERO-AREMUKBSSA-N 423.601 3.679 0 1 HHAF CCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I 116343996 LWUNICOSKAFDRD-UHFFFAOYSA-N 414.247 3.560 0 1 HHAF CC(=O)O[C@H]1CC2=C(COC2=O)[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 2356581984 RTPXSUTVUHNKEI-OWRMNSOESA-N 418.530 3.966 0 1 HHAF C=CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(OC)cc2)OC1 73225012 DJOANPGFWFVCOG-QHCPKHFHSA-N 408.473 3.737 0 1 HHAF CCOC(=O)c1ncn2c(=NCc3ccc(OC)cc3F)[nH]cc(-c3ccccc3)c12 1911583268 RZZCJNCZPAHLIT-UHFFFAOYSA-N 420.444 3.755 0 1 HHAF Cn1cc(CCNc2ccnc(N3CCC(c4ncc[nH]4)CC3)n2)c2ccccc21 45187744 LBQUFLUEHRGVNA-UHFFFAOYSA-N 401.518 3.730 0 1 HHAF CC(C)(C)CC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40860534 HXJZMTIMEUCABI-HTJTXACHSA-N 400.393 3.746 0 1 HHAF NC1=N[C@]2(CO1)c1cc(-c3cncc(C(F)F)c3)ccc1OC1(CCC1)C21COC1 149300685 HSUAECWUMSPRSF-JOCHJYFZSA-N 413.424 3.558 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@H](c3ccccc3F)C[C@H]2C1 253633938 KUJMNMMGYFPINT-KFWWJZLASA-N 417.912 3.820 0 1 HHAF CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 299827834 IHESCUFUOPLPNI-SUMDDJOVSA-N 414.527 3.653 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 587030375 CSUGZJMXMVDKFZ-FBWGLTFQSA-N 413.528 3.789 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(N)c1)(c1ccc3c(c1)OCCO3)O2 587388332 AMGHMZIXSWVENO-XMMPIXPASA-N 402.450 3.840 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(Br)s2)CC(=O)c2cc(C)cc(N)c2O1 587408343 BAHOWCHPYMLENZ-KRWDZBQOSA-N 410.289 3.825 0 1 HHAF O=C(COc1ccccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656627 OKZZIPJNXFKLBX-UHFFFAOYSA-N 408.360 3.767 0 1 HHAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c2n1 587147006 FHRYLMFUZVNFGB-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF CC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587171437 ZYRLOBHHSUTAQS-OAQYLSRUSA-N 423.469 3.973 0 1 HHAF Nc1c(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F 587135231 VYQPGQLZEYXGLU-UHFFFAOYSA-N 406.561 3.743 0 1 HHAF COC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2n1 587183696 GXXHDFFZCNRZOS-YVMONPNESA-N 405.195 3.520 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587834928 NKKAHHQEEJTYSN-NSPYISDASA-N 412.299 3.964 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 587791953 NHNNCHFWWAHILJ-PRWKNARSSA-N 401.279 3.659 0 1 HHAF O=C(O)COc1ccc([C@]2(c3ccccc3Cl)NCCc3ccc(O)cc32)cc1 963331325 YVFKRNFXRLNDPN-HSZRJFAPSA-N 409.869 3.947 0 1 HHAF Cc1cc2c(cc1O)[C@](c1ccccc1)(C(C)(C)Br)N[C@H](C(=O)O)C2 963521816 CFPZVZVTCYMCEP-OXJNMPFZSA-N 404.304 3.717 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccc(F)cc2F)cc1 1772571418 GNGIVBVTXCGBGL-FQEVSTJZSA-N 413.424 3.579 0 1 HHAF CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1 13835808 MXMXMYWNGBMDEJ-IMSXRSKXSA-N 402.554 3.949 0 1 HHAF Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(c4ccccc4)CC3)ccc12 169352282 IXMMPFRXJWSRMJ-UHFFFAOYSA-N 406.482 3.609 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCC[C@@H]4C)n3)C2)cc1 169709906 BQNVISGXQOUTDA-NPPFBWRTSA-N 408.546 3.925 0 1 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2ccccc2Cl)nn1 203462845 HESHBGNVCQZHCB-UHFFFAOYSA-N 409.877 3.930 0 3 HHAF CC(C)c1cccc(OCCN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 1857754654 VWCNBJLFVSUVER-UHFFFAOYSA-N 402.560 3.632 0 1 HHAF COc1ccc(-c2sc(Br)c3c2C(=O)[C@H]2OC(=O)N[C@@H]32)cc1OC 1662875 AQUCZYWTBQPSOA-AAEUAGOBSA-N 410.245 3.541 0 1 HHAF COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@H](CCC(=O)O)N1Cc1ccccc1 5580041 PWFSWGNUCOCART-SFTDATJTSA-N 406.482 3.684 0 1 HHAF O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 12099982 HIIRPOXVQKMFQY-QUCCMNQESA-N 402.491 3.547 0 1 HHAF Cc1ccc(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 13823490 OFDXTWFEOOKPAV-UHFFFAOYSA-N 421.566 3.869 0 1 HHAF Cc1c(O)c(C(=O)[C@H](O)Cc2ccccc2)c2oc(=O)cc(-c3ccccc3)c2c1O 14556215 NZYPVESEAWYSEE-GOSISDBHSA-N 416.429 3.966 0 1 HHAF biogenic CCCCc1nc2cnn(C)c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 25973501 AQWOVRZDSCZQEP-UHFFFAOYSA-N 416.481 3.886 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12 40865527 CEJXTYUNOASPGR-CGDGMRKMSA-N 410.551 3.550 0 1 HHAF CCCN1CCN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)C[C@@H]2O)CC1 40953347 BDHOUPQQSXESKQ-UBFNLWAXSA-N 418.666 3.757 0 1 HHAF CCc1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1 49808512 ZTFCBYGXEPFXMG-GOSISDBHSA-N 422.572 3.648 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cccc(NC3CCNCC3)c12 66156687 VMHGLQPPHUEGJS-UHFFFAOYSA-N 406.511 3.713 0 1 HHAF CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 71295590 LXWCTCKZHLLLOZ-UHFFFAOYSA-N 402.882 3.574 0 1 HHAF CS(=O)(=O)Nc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 72108919 MABGNWOHQOCYHW-UHFFFAOYSA-N 416.522 3.528 0 1 HHAF Cc1c(NCc2nnc(Nc3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 73220999 AVBQYXGZQJFNBS-UHFFFAOYSA-N 410.865 3.877 0 1 HHAF c1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)cc1 84603997 CGGSZBTXQJLOGP-UHFFFAOYSA-N 405.527 3.980 0 1 HHAF OC[C@@H](CN1Cc2cccc(F)c2C1)N1CCC(c2noc3cc(F)ccc23)CC1 87722220 XPQFMRCQDNWUBC-GOSISDBHSA-N 413.468 3.662 0 1 HHAF COc1ccc(C(=O)Nc2nccs2)cc1Nc1nccc(-c2cccnc2)n1 96258652 DIZCOWFZHJWMBP-UHFFFAOYSA-N 404.455 4.000 0 1 HHAF COC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1c1ccc2c(c1)OCO2 96917953 JQRYUXQSOSQNPZ-UHFFFAOYSA-N 421.449 3.913 0 1 HHAF Cc1ccccc1-c1nn(-c2ccccc2Cl)cc1CNCCN1CCN(C)CC1 96938542 DISFMLSWLYMUTN-UHFFFAOYSA-N 423.992 3.838 0 1 HHAF O=S(=O)(Nc1ccncc1Nc1ccc(F)c(Br)c1)C(F)(F)F 103266663 YEPGGYKOTCQGAU-UHFFFAOYSA-N 414.178 3.988 0 1 HHAF COC(=O)c1sc2ncnc(Nc3cccnc3OC[C@@H]3CC3(F)F)c2c1C 118738065 BMMVSQGTNQBFFP-JTQLQIEISA-N 406.414 3.959 0 1 HHAF CN1CC[C@@H](N(C)C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146381111 ZCRUVXCLPLTGEX-LJQANCHMSA-N 407.587 3.963 0 1 HHAF CC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccc(F)cc3)ccc2c1O)C(=O)O 146765880 UVKYKSIYQOGGRM-UHFFFAOYSA-N 423.400 3.584 0 1 HHAF C=CC(=O)N[C@@H]1CCCN(c2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 221412249 FDPCPMJXQZVTTF-GOSISDBHSA-N 415.497 3.789 0 1 HHAF CC(=O)OC[C@@]1(C)[C@H](OC(C)=O)C(=O)C[C@@]2(C)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 238759504 QADJOKWXGQGSAA-FSDTYVLISA-N 416.514 3.990 0 1 HHAF N[C@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1F 587142529 DJTRCQIRDXAWPZ-LLVKDONJSA-N 414.076 3.865 0 1 HHAF COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)nn1-c1ccccc1F 587155910 ISFPIEPYNGZGDW-UHFFFAOYSA-N 412.734 3.977 0 1 HHAF O=C(/C=C/c1nc2ccc(I)cc2[nH]1)Nc1ccc(F)cc1 587166637 FTHGWIXJRUJFJS-BQYQJAHWSA-N 407.186 3.959 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3c(C(=O)O)noc3C)c1)O2 587395872 VKNVOIGIXAUZPY-IBGZPJMESA-N 408.410 3.857 0 1 HHAF COC(=O)c1cc(Br)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587454477 ZSTWNSSUTKOSTF-PSLIRLAXSA-N 409.257 3.795 0 1 HHAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCc1ccccc1 587569687 GYDIHEFMSVHCSS-PMACEKPBSA-N 405.406 3.649 0 1 HHAF C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O 587595898 POOAPSGAQQVRAS-VCHGGQOGSA-N 406.390 3.947 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)n2C)N1 587679011 DUCDWNTUFNKTSK-UHLUBPPHSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587719184 PJIKHUTXDWYKRF-HUTHGQBESA-N 416.287 3.754 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587759535 UNUYZJLRTROJDV-DGIBIBHMSA-N 424.314 3.674 0 1 HHAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC 587806237 JGSGFKBVSQWFQV-XYZCENFISA-N 424.266 3.927 0 1 HHAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC 587811356 ZJNKGZYHABAVCE-VVVCHXIZSA-N 424.266 3.927 0 1 HHAF CC(C)N1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2F)CC1 653766403 YHDURFSITXROTD-UHFFFAOYSA-N 405.558 3.680 0 1 HHAF CN1CCN(Cc2cn(S(=O)(=O)c3cccc4ccccc34)c3ccccc23)CC1 1772586208 QVWGPUIUVYIVQM-UHFFFAOYSA-N 419.550 3.779 0 1 HHAF N=C(NCCCCCCCCNC(=N)NCc1ccccc1)NCc1ccccc1 1857563844 IDYJWMSACHFLHX-UHFFFAOYSA-N 408.594 3.955 0 1 HHAF COC(=O)CCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC 1857609724 UQMISYRKOWXRNF-UHFFFAOYSA-N 424.453 3.851 0 1 HHAF COc1ccc(Cl)cc1NC(=O)c1cccc(-c2ccc(S(N)(=O)=O)cc2)c1 1857620937 GETDHUDBQZGFGN-UHFFFAOYSA-N 416.886 3.915 0 1 HHAF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cc3)cc2)cc1 1857749198 KBWXKIUGGGUTOE-UHFFFAOYSA-N 412.486 3.543 0 1 HHAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cccc2ccccc12 61897593 JHOFHZJSJPXESG-DEOSSOPVSA-N 402.450 3.741 0 3 HHAF CN1OC[C@@H]2CN(C(=O)Cc3ccccc3)[C@H](c3ccccc3Br)C[C@@H]21 61924009 WTDVYFITLHXRMG-VDGAXYAQSA-N 415.331 3.827 0 3 HHAF O=S1(=O)c2c(F)cccc2O[C@@H](COCc2ccccc2)CN1C1CCCC1 61931189 IZZHOLCJFZUGFW-GOSISDBHSA-N 405.491 3.737 0 3 HHAF Cc1ccc(-c2nn(-c3ccccc3)c3nc(O)c(CNCCN(C)C)cc23)cc1 102730217 HVAAAEVTMVMAKW-UHFFFAOYSA-N 401.514 3.753 0 1 HHAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](O)c2ccc(C)o2)CC1 27894558 JRFAKXUBONSYTK-FQEVSTJZSA-N 400.519 3.546 0 1 HHAF COc1ccc(CCN2C=CC=C3C2=Nc2cc(C)ccc2S(=O)(=O)N3C)cc1 28638374 YSSNBZFBQZTAEA-UHFFFAOYSA-N 409.511 3.624 0 1 HHAF CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)ccc1O 103994886 YRSWRVLTJBAWFT-HXUWFJFHSA-N 401.459 3.789 0 1 HHAF CN(C(=O)C(C)(C)c1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1 66252109 MKBQEFGSEWRCKX-QGZVFWFLSA-N 423.488 3.554 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](C(=O)NCc1cccnc1)[C@@H]2O 28568349 JLDAJRITWUSQME-LLLYGZRJSA-N 406.526 3.547 0 1 HHAF in-vivo CCCOC(=O)C1=CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C 72283437 YUDQEKNIJIMQLI-IWQHBPENSA-N 419.543 3.615 0 1 HHAF COCc1nnc(-c2cnc(-c3ccc(C)c(C)c3)cn2)n1-c1ccc(OC)nc1 40877029 DGNLGAPGUAAZJA-UHFFFAOYSA-N 402.458 3.558 0 1 HHAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2 49115517 NAKOCLNERWRZBE-UHFFFAOYSA-N 405.454 3.520 0 1 HHAF CC(C)CNc1ncnc2c1nc(CCc1ccccc1)n2CCCN1CCCC1=O 82178071 NUQBCBRAPRCYAZ-UHFFFAOYSA-N 420.561 3.692 0 1 HHAF COc1cc2oc(=O)cc(CN3CCN(c4ccccc4OC)CC3)c2cc1Cl 95600715 YGDOSXPWZXYEGA-UHFFFAOYSA-N 414.889 3.786 0 3 HHAF CCCCCn1c2ccccc2c2cc(C(=O)CN3CCS(=O)(=O)CC3)ccc21 96938080 FFTOPQAXWDTORU-UHFFFAOYSA-N 412.555 3.898 0 1 HHAF COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccccc2OC)cc1C 653846247 OTIFKTPRWNLAPH-NRFANRHFSA-N 423.513 3.878 0 1 HHAF CCOC(=O)Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144041 HQZKKOYWXBLGDB-HNNXBMFYSA-N 420.282 3.813 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4nc(Cl)c[nH]c-4n3)cc2cc1Br 586999065 UIQXLOXEGQBSEL-UHFFFAOYSA-N 421.638 3.893 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587125720 SQKBHEOAWOXZPU-BONVTDFDSA-N 407.396 3.840 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(I)ccc1OC)[C@@H](C2)C3=O 587427003 FYOQRWMSWASSFE-SCLBCKFNSA-N 422.218 3.797 0 1 HHAF CCOC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588550 RATDBZWFJIFSJX-WMZHIEFXSA-N 405.406 3.841 0 1 HHAF Cc1c(-c2nc3nc(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029213 KBFBUKPFXNSLTG-UHFFFAOYSA-N 402.277 3.870 0 1 HHAF Fc1cnc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005491 JUXXKUGUHWGUGM-UHFFFAOYSA-N 407.428 3.732 0 1 HHAF O=C1C[C@]2(CCNC(=O)c3[nH]c(Br)cc32)Oc2c1ccc1c2CCCC1 587497210 LTZLKXMMUMMPHJ-FQEVSTJZSA-N 415.287 3.650 0 1 HHAF COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1C 587183055 AJAPZGXHHOBCMS-CYBMUJFWSA-N 407.255 3.727 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963588567 ZBYKOBFRKVODPB-GYCJOSAFSA-N 411.498 3.578 0 1 HHAF CN1CCc2c(Br)cccc2[C@@]12C(=O)Nc1cc(Br)ccc12 963269499 JZMFZOQSCRRVAT-QGZVFWFLSA-N 422.120 3.895 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@H](F)[C@H](O)C1 1772611740 UGTQZSTXWDRYAP-WMLDXEAASA-N 421.350 3.596 0 1 HHAF CCCCOC(=O)c1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1 5894421 HDNQSFOPAZXEQB-UHFFFAOYSA-N 420.465 3.863 0 1 HHAF biogenic CCCC[C@H](CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)c1ccccc1 13555162 YCRDUOBIMYIMRS-RGDLAARNSA-N 413.606 3.975 0 1 HHAF CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CCN1CCC[C@@H](c2ccccc2)CC1 169728030 IFKJVOINCUWUAV-ZJSXRUAMSA-N 419.569 3.692 0 1 HHAF O=C(N[C@H](CO)c1ccc(F)cc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167073376 UABKGXGICMGICA-JOCHJYFZSA-N 419.456 3.837 0 1 HHAF O=C(NCCc1ccccc1)OCc1cn(Cc2ccccc2C(F)(F)F)nn1 203462706 PNUPCXXMDLLGNH-UHFFFAOYSA-N 404.392 3.814 0 3 HHAF O=C(c1cccc(N2CCCCC2)n1)N(C1CC1)[C@H]1CC[C@](O)(C(F)(F)F)CC1 139430091 LHUKGKRAXVLXAI-UKIBZPOASA-N 411.468 3.913 0 1 HHAF O=C1CN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CCN1 1857656204 NIERBMRJTAWKCF-UHFFFAOYSA-N 416.312 3.512 0 1 HHAF Cc1cc(=O)oc2cc(OC[C@@H](O)CN=c3[nH]c4ccc(Cl)cc4s3)ccc12 1857656763 IMSXGMRGNNJPLH-ZDUSSCGKSA-N 416.886 3.638 0 1 HHAF O=c1c2cn(CC3COC3)nc2nc(SCc2cccc(F)c2)n1-c1ccccc1 1857759933 QSKYIEZFZIPLGJ-UHFFFAOYSA-N 422.485 3.660 0 1 HHAF O=C(c1ccccc1)c1c(O)n(O)c2cc(NS(=O)(=O)c3cccs3)ccc12 6292419 UYVIMBKKSYDOGA-UHFFFAOYSA-N 414.464 3.678 0 1 HHAF COc1cccc(C(=O)NC(=S)NCCC2CCN(Cc3ccccc3)CC2)c1 13734731 ANIYWQZUXVRTEW-UHFFFAOYSA-N 411.571 3.602 0 1 HHAF COc1ccc2c(C(=O)N(C)CC(=O)O)c(Br)ccc2c1C(F)(F)F 13823562 PIWUUKBGCBIQOV-UHFFFAOYSA-N 420.181 3.786 0 1 HHAF O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)c3ccc4c(c3)OCCO4)[C@H](O)C[C@H]2C1 26144543 KVEUUAKBUZQLMT-XOOWQAEASA-N 414.498 3.636 0 1 HHAF Cc1cc(C)c(CN2CCOc3ccc(CN4CCC[C@H](C(N)=O)C4)cc3C2)cc1C 39358437 PXFWZSLMAHNQIG-QFIPXVFZSA-N 421.585 3.704 0 1 HHAF COc1ccc([C@@]2(c3ccc(F)c(-c4cccnc4F)c3)NC(=N)N(C)C2=O)cc1C 45253647 JIBQVJZSWQNHLX-QHCPKHFHSA-N 422.435 3.584 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 58563485 SZDSCLOAPYDVBU-GSVICAJKSA-N 402.579 3.513 0 1 HHAF CC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2-c2cccc3ccccc23)C1=O 66074716 AUVFDGJDCXPANH-QGZVFWFLSA-N 404.466 3.577 0 1 HHAF COc1ccccc1/C=C1\CN(C)CC2=C1NC(=S)N[C@H]2c1ccccc1OC 71335374 NWYVDFCNYHNVGQ-KFGZODLXSA-N 407.539 3.506 0 1 HHAF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1cc(OC)c(OC)c(OC)c1 82144546 MLKVQEKNYCYYLR-KBPBESRZSA-N 416.522 3.908 0 1 HHAF COCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 82180626 XBNOHOUIRFRSML-UHFFFAOYSA-N 407.449 3.639 0 1 HHAF COc1ccccc1-c1csc(N2CCC[C@@H]2C(=O)NCCCOC(C)C)n1 82195695 BCVXNSLQJOQHHO-GOSISDBHSA-N 403.548 3.719 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCOCCCC 82210827 QMRXDJZAWQBKNQ-FPPHHTCDSA-N 422.610 3.842 0 1 HHAF COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2Cl)CC[C@@H](N(C)C)C1 95552425 RMMBNMYQECMRRI-CQSZACIVSA-N 418.946 3.959 0 1 HHAF O=C1C(=O)N(Cc2cnnn2-c2ccnc3cc(Cl)ccc23)c2ccc(Cl)cc21 95587202 KRBUOMAZVDCOCN-UHFFFAOYSA-N 424.247 3.852 0 1 HHAF CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCN(C)C2 101500795 ORBXXIQKZFKULT-HLSIKXJKSA-N 401.576 3.641 0 1 HHAF O=C(c1ccc(N(CCO)Cc2ccccc2)cc1)N1CCc2ccc(O)cc2C1 103300995 CBKFKKQGYMWPPL-UHFFFAOYSA-N 402.494 3.590 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)OC3)nn2-c2ccccc2)c1 169707262 YDPSKQJOPMTWMH-SFHVURJKSA-N 404.470 3.786 0 1 HHAF CN1O[C@]2(N=C1N)c1cc(-c3cccnn3)ccc1CC21CCc2ccccc2CC1 201269146 MXFAQZDMAKROOV-RUZDIDTESA-N 411.509 3.610 0 1 HHAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@H]3[C@H]1C5 253633318 KNIGTFRSJKNFFO-GXOWRJQLSA-N 403.522 3.689 0 1 HHAF Cc1ccccc1[C@@H]1[C@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299868673 SCYUPMFTYFIJTQ-NZQKXSOJSA-N 419.506 3.617 0 1 HHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587044644 KHJULCSXXGIRCQ-UHFFFAOYSA-N 401.271 3.957 0 1 HHAF Cc1c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074761 XUTOLCHCPPAFMO-UHFFFAOYSA-N 410.909 3.772 0 1 HHAF COC(=O)c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cn1 587116166 QQHFZMMBSYTWBU-UHFFFAOYSA-N 401.142 3.588 0 1 HHAF NS(=O)(=O)c1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128445 NEUNBRSPFZKMFQ-UHFFFAOYSA-N 406.439 3.938 0 1 HHAF O=C(O)CCN(CCc1nc2cccc(Br)c2[nH]1)Cc1ccccc1 587193630 NRRFXGUZTGGVSB-UHFFFAOYSA-N 402.292 3.845 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 587252008 UIWLDJHUCJYQDN-UHFFFAOYSA-N 402.248 3.510 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587259896 ODMYSHSMRGIXGW-ZDUSSCGKSA-N 418.400 3.591 0 1 HHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(CCC(=O)c1cccs1)[C@@H](C2)C3=O 587449149 FFQVKZZSWQQWEE-QKKBWIMNSA-N 400.452 3.771 0 1 HHAF Nc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538362 ADTJUIICKZOEKB-KXBFYZLASA-N 413.227 3.835 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnn[nH]1 587574395 ZJUMIFFTEKOYKO-SIKLNZKXSA-N 403.369 3.555 0 1 HHAF CCn1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587581185 KLFBVBCNXCSHBW-YIGWSHRMSA-N 405.454 3.541 0 1 HHAF C[C@@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581587 WINOLMXYTDMOOY-OFNKIYASSA-N 405.406 3.623 0 1 HHAF CCCOc1ccccc1[C@@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581707 XBVQPSWZQRUNMD-ZJSXRUAMSA-N 405.450 3.997 0 1 HHAF C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606588 IFINSRODZNUNGV-KNQAVFIVSA-N 410.447 3.673 0 1 HHAF CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649641 ADDQFPWSPCBOTN-UHFFFAOYSA-N 401.488 3.904 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3ccccc3C2=O)N1 587762265 RVFLUKOYKPKEJF-GIPWTMENSA-N 417.278 3.634 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(CCOc4c(F)ccc(F)c43)N12 962647928 VHFMPEKTADQCRW-XZOQPEGZSA-N 410.420 3.638 0 1 HHAF CCOC(=O)CC[C@@]1(C(C)C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697859 MJTLDHPDDZPUNI-YJBOKZPZSA-N 405.388 3.638 0 1 HHAF COCc1nnc(N2CC[C@@H](c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 1857565249 RSCIYXYYCBHILF-CYBMUJFWSA-N 417.872 3.604 0 1 HHAF CCOC(=O)C1=C2CCCN2C(c2nccn2C)=N[C@H]1c1ccc(F)cc1Cl 1857630659 MIWLTNCOUYMLGX-KRWDZBQOSA-N 402.857 3.627 0 1 HHAF C[C@]12CC[C@@H](OC(=O)Nc3cccc(F)c3)[C@](C)(CO)[C@H]1CC[C@H]1OC(=O)C[C@H]12 2356816916 DFKIWXJNPPNXOP-CHPFXJTMSA-N 405.466 3.883 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCN(CC)CC 4152493 CQWLJDNIMHYDMQ-FPOVZHCZSA-N 415.559 3.697 0 1 HHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4214876 QSGDKFLHDYLECJ-WOJBJXKFSA-N 405.564 3.891 0 1 HHAF C[C@@]12C[C@@H](N=C(O)N1c1ccc(C(=O)NCc3ccccn3)cc1)c1ccccc1O2 4919159 PJAZGZBRJMKDMC-HYBUGGRVSA-N 414.465 3.986 0 1 HHAF COC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)OC)OCO3 28118196 OGUHXQFMLWUPCE-UHFFFAOYSA-N 408.362 3.537 0 1 HHAF CC1=CC(=O)O[C@@H]1[C@@H](O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)CO[C@@H](C[C@@]1(C)O)[C@H]23 40952820 GAOMOYCMAISIED-URISLNGFSA-N 418.574 3.928 0 1 HHAF COc1ccc(-c2cnc(NCc3ccccc3)nc2)cc1CNC1CCN(C)CC1 45168222 DAELNGGXXGWEEP-UHFFFAOYSA-N 417.557 3.948 0 1 HHAF CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1 66075700 MGQVEANIPDCBLG-UHFFFAOYSA-N 403.530 3.634 0 1 HHAF Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 72136781 LBEMSNVHEADUTJ-ZCNNSNEGSA-N 408.527 3.715 0 1 HHAF 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409.433 3.926 0 1 HHAF CN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1 29042688 HUADRJSOLJYWQY-UHFFFAOYSA-N 411.512 3.747 0 1 HHAF O=C(Nc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1)OCCO 45253527 BBCFBBCBXACWLE-UHFFFAOYSA-N 415.453 3.647 0 1 HHAF O=C(O)CC[C@H](O)c1ccc(OCc2ccc(I)cc2)cc1 45495954 CAAOZNRPRRVPHD-INIZCTEOSA-N 412.223 3.768 0 1 HHAF CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O 66103286 WBGVPZLWIBDIPP-YLJYHZDGSA-N 414.292 3.789 0 1 HHAF CCNC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 72140863 QMMKTTMNMBWFNU-SJORKVTESA-N 406.486 3.945 0 1 HHAF O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCC[C@H]1CO 82072911 GRXXDOGJHSOXFO-LBPRGKRZSA-N 408.298 3.976 0 1 HHAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCCC3)nc12 95589277 CSIBYUVGWNAZMS-UHFFFAOYSA-N 405.520 3.545 0 1 HHAF O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 95893774 BJFBOLLGEYDWCY-RJGXRXQPSA-N 422.500 3.722 0 1 HHAF CC(=O)NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn32)CC1 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418.921 3.635 0 1 HHAF Cn1ccc(-c2ccc([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)cc2)n1 962666183 MMJOPQIBXODAEQ-RCZVLFRGSA-N 412.493 3.823 0 1 HHAF COc1cncc(OC)c1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955917 NDRXZRSQXUBFHR-LJQANCHMSA-N 408.420 3.858 0 1 HHAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1NCCc2cnc3c(OC)cccc3c21 963063075 ZBQXVZSXPGPXOJ-FQEVSTJZSA-N 408.502 3.607 0 1 HHAF COc1cccc([C@H]2CS(=O)(=O)Oc3c2c(C2CC2)nn3-c2ccccc2F)c1 1857593217 JDYMQNQPWRPNLQ-MRXNPFEDSA-N 414.458 3.752 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1O)[C@H](O)[C@@H](C)[C@H](C)C2 2356687188 HEKJLNPRSYUANJ-LIBAHTEVSA-N 404.459 3.661 0 1 HHAF CCOC(=O)C1=NN(c2ccc(C)cc2)[C@]2(C)C[C@H](c3ccccc3)N(C)CCN12 2356834597 KCWUHYUAIRAHNB-ZJSXRUAMSA-N 406.530 3.787 0 1 HHAF COc1ccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c(F)c1 12718243 LHCAKGUVWMYMLD-GOSISDBHSA-N 408.477 3.871 0 3 HHAF CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 72137853 ULGNROAIWIJIHS-VTJDKEBTSA-N 402.546 3.504 0 3 HHAF C[C@]1(O)CCC[C@H]1Oc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1 3931618 DSBGPMMJJYTHSP-AEFFLSMTSA-N 415.433 3.853 0 1 HHAF Cc1c(NC2=NN/C(=C3/C=Nc4ccccc43)CS2)c(=O)n(-c2ccccc2)n1C 103918514 MWYCBYICBONWKX-ZPHPHTNESA-N 416.510 3.631 0 3 HHAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-c4ccccn4)C[C@H]3C2)n1 116826334 JJWJVHZJBUGWQP-HDICACEKSA-N 417.488 3.503 0 1 HHAF COc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NCc3ccccc3)no2)cc1 61928981 YTPGYLYSKYBXJS-NRFANRHFSA-N 419.481 3.981 0 3 HHAF CC(=O)OC[C@]1(CO)CCC[C@@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356435501 DVILVCNQCLDLLF-FAKVNQGTSA-N 418.530 3.855 0 1 HHAF COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)NC4CCCC4)CC3)c2)c1 20320318 DUGCEYBHVRPYSD-UHFFFAOYSA-N 422.529 3.618 0 1 HHAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@@H](CN3CCN(C(C)=O)CC3)C=C2C)o1 2356468443 BVTRSKBXNZPNKK-HBMCJLEFSA-N 402.583 3.583 0 1 HHAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@@]2(C)[C@@H]1CCC(=CCO)CO 2356600168 CCNLJIUCOXTJDA-SMOZNVCYSA-N 422.562 3.863 0 1 HHAF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@H](Cc2ccccc2C(=O)O)CC=CC=C[C@H]1O 2356821227 FYGPMYBAWHEWAO-WDUKFBBWSA-N 423.465 3.574 0 1 HHAF Cc1c([C@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@@H](C)O)oc(=O)c1C2 36389239 YKTVPJPRINESLJ-JHJVBQTASA-N 418.486 3.657 0 3 HHAF CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 72179010 WEKPXLRLBNJBOA-UHFFFAOYSA-N 407.587 3.621 0 1 HHAF Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 40933493 DDDNBNMFGXFRTM-RUZDIDTESA-N 417.509 3.590 0 1 HHAF O=C(Nc1cccc(-c2ccn[nH]2)c1)[C@H](Cc1ccccc1)NCc1cscn1 84704142 SYAVBCIDRXPDMS-NRFANRHFSA-N 403.511 3.873 0 1 HHAF CC(C)CNC(=O)c1cnc(NCCCN2CCCC[C@@H]2C)nc1NC1CCCC1 45357143 JHEBYHBZVSQGLI-SFHVURJKSA-N 416.614 3.893 0 1 HHAF CCN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1cc(OC)c(OC)c(OC)c1 82144718 ZWSOKGORLBFFQU-UHFFFAOYSA-N 414.506 3.616 0 1 HHAF COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 82066678 ONOBHWKTRAGYDT-FCEWJHQRSA-N 413.522 3.746 0 1 HHAF O=C(NCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1Cl 95598672 CAXHVJUTBRZMTD-UHFFFAOYSA-N 416.884 3.601 0 3 HHAF C[C@@H](O)c1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 144461952 VFJAKNDZPQZWGJ-OAHLLOKOSA-N 405.502 3.700 0 1 HHAF CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C 96272207 FGINUFONAYNOSW-GCJKJVERSA-N 408.970 3.583 0 1 HHAF Cn1cc(-c2cc(OCCCO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144855578 HSHPOEXORPMYDN-HXUWFJFHSA-N 404.388 3.627 0 1 HHAF COc1cccc(CC(=O)Nc2cnc3cnc(-c4ccccc4CN(C)C)cn23)c1 653671213 HOCWOUOWOBYAOF-UHFFFAOYSA-N 415.497 3.648 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355246 UBVIFFWLISDNJR-ADCHYERDSA-N 424.424 3.719 0 1 HHAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516945 YAKRGTWWPGEOHA-GYCJOSAFSA-N 408.498 3.594 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 587767066 IIDJIOQETOFUDD-QTPGKHNVSA-N 417.322 3.844 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 587826194 DDRISNDBKVMGAN-WYRIXSBYSA-N 424.266 3.747 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C[C@@H]1CCCO1 587197065 HSYCITUPHPYBDX-AWEZNQCLSA-N 415.469 3.804 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@H]1CCS(=O)(=O)C1 587861198 MULGKDKOKWEAGM-LLVKDONJSA-N 417.314 3.721 0 1 HHAF COc1cc(OC)c2[nH]c([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 587111416 CFUZRKRAAMGOKM-LJQANCHMSA-N 407.392 3.999 0 1 HHAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N(C)C 587573630 TWJYGUZIDVBNDF-REWPJTCUSA-N 419.433 3.948 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(C)n1-c1ccccc1 587868834 UQSXJFOBACYKPI-UHFFFAOYSA-N 400.364 3.851 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c4nsnc14)[C@@H](C2)C3=O 587451129 IGUTUTXORWOGRR-BTDLBPIBSA-N 403.257 3.951 0 1 HHAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587357362 NDNCATYUDLYRQX-ISKFKSNPSA-N 422.408 3.549 0 1 HHAF COC(=O)[C@@H]1SC2(CCCC2)SC[C@@]12N[C@H](C)Cc1c(OC)ccc(OC)c12 963602685 ARWBLSWELUHLOO-MPKWNAGQSA-N 423.600 3.725 0 1 HHAF CC(C)(C)OC(=O)CN1CCC2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962721744 WJZCRPGBNBUBET-QGZVFWFLSA-N 420.594 3.822 0 1 HHAF COc1c2ccoc2c(OC[C@H](OC(=O)CC(C)C)C(C)(C)O)c2oc(=O)ccc12 13380836 BMKRDVAEOSDNPJ-HNNXBMFYSA-N 418.442 3.655 0 1 HHAF endogenous,in-man CN(C)CCON(C)C[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13809014 QOJHINNBHXWUGI-JIBZTHFDSA-N 422.654 3.546 0 1 HHAF NC(=S)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@H]1c1ccc(Cl)cc1 1857573365 IPAXZZYKPBSUGH-IBGZPJMESA-N 400.935 3.571 0 1 HHAF CCCc1c(COc2ccc(C(=O)[C@H](C)Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O 13824163 LCIIDFZBPXUSFM-CQSZACIVSA-N 422.485 3.701 0 1 HHAF COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CCN1CCN(c2ccccn2)CC1 27886680 HPGNHOHIXAXEKQ-HXUWFJFHSA-N 411.546 3.660 0 1 HHAF O=C(O)c1cccc(-c2nnc(C[C@@H](O)Cc3ccc(-c4ccccc4)cc3)o2)n1 40877594 ZRRANVOFLZLGRM-SFHVURJKSA-N 401.422 3.643 0 1 HHAF c1ccc2ncc(Nc3cc(-c4cnc5[nH]ncc5c4)nc(N4CCOCC4)n3)cc2c1 66074310 VEBFTHFELSOFKM-UHFFFAOYSA-N 424.468 3.543 0 1 HHAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(CO)c4)cn23)cc1 82082831 UKFXJKGVLFLFMP-UHFFFAOYSA-N 402.498 3.886 0 1 HHAF CC1(C)CC(=O)C(C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)C(=O)C1 100293565 IAJMZZNGDBTSBI-UHFFFAOYSA-N 409.326 3.854 0 1 HHAF CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 100886126 WFWZUJHWDQHSNP-AIFLQVKLSA-N 403.478 3.511 0 1 HHAF COc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(Cl)c1O 144880966 CLWLYGJCKORDAK-PXNMLYILSA-N 419.289 3.992 0 1 HHAF CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 195196477 OHVAIXHVENNVJI-ZEVJAHDQSA-N 419.569 3.544 0 1 HHAF COc1cc(CCc2cc(C(C)=O)cc(OC)c2OC(C)=O)ccc1OC(C)=O 238747730 RTHYOZQSISMHNH-UHFFFAOYSA-N 400.427 3.542 0 1 HHAF O=C1C[C@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c2c(Br)cccc2O1 587003801 NZZYGQSGBNLKPN-QMMMGPOBSA-N 413.231 3.543 0 1 HHAF N[C@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1F 587142642 IXFNIZUMAOPZGM-LLVKDONJSA-N 414.076 3.865 0 1 HHAF CCOC(=O)[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587375115 RAZJDLZGMZPTMV-CDXJDZJCSA-N 402.443 3.555 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O 587455761 QHNNVAWIKWLGPO-WYRQLCSISA-N 414.413 3.747 0 1 HHAF CC(C)(O)c1nn2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586201 JGJWIOYOVYFDQT-KNQAVFIVSA-N 416.433 3.970 0 1 HHAF Cc1cccc2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cn12 587658258 NANRUQGKBACNBD-UHFFFAOYSA-N 416.387 3.986 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2N)N1 587679448 FIBAYKGEHDFCGQ-NXSYQRQQSA-N 415.104 3.952 0 1 HHAF Cc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(NCCCCO)n1 653861141 KITPBTDVFGPHCY-UHFFFAOYSA-N 400.914 3.695 0 1 HHAF C[C@@H](N)CC(=O)Nc1nc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)cs1 962666885 TVTLDXISEJVQNA-CMJOXMDJSA-N 406.555 3.895 0 1 HHAF COc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc(OC)c1O[C@H](C)C(=O)O 963094231 LKNVOXRIULLUDC-QKAVXHIFSA-N 415.461 3.805 0 1 HHAF COc1ccc2c(c1OC)[C@@H](CCN(C)C(=O)OC(C)(C)C)NCC21CCOCC1 963190702 NVVNFTHVWKWATK-QGZVFWFLSA-N 420.550 3.653 0 1 HHAF Cc1cc(C)cc(Oc2ccnc(-c3c(C)nnn3C3CCN(C(=N)N)CC3)c2)c1 1857611478 IBHNCIAXCCLPQE-UHFFFAOYSA-N 405.506 3.588 0 1 HHAF C[C@@H](O)CCCC=CCC=CCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O 2356383339 JPDHHIDMPUIHBY-WOJBJXKFSA-N 424.582 3.606 0 1 HHAF COc1cc([C@@H]2Oc3cc(C=CCO)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 2356668479 RGWQWUWITAFJJO-ZUOKHONESA-N 402.443 3.628 0 1 HHAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 2356718671 CDTUVRQKZSSELK-QKNQBKEWSA-N 423.523 3.878 0 1 HHAF Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3C)cc2c1 13570925 ATRPJFMVRDRSER-FQEVSTJZSA-N 421.497 3.594 0 3 HHAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(C(=O)c3cccs3)C2)on1 61927774 VOUMDAGLEILAEY-HNNXBMFYSA-N 413.474 3.825 0 3 HHAF Cn1c(=O)c2cc(NC(=O)NCCc3ccccc3)ccc2n1Cc1ccc(F)cc1 61930327 ANFXQUYJQUVDBQ-UHFFFAOYSA-N 418.472 3.892 0 3 HHAF COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(C(=O)C2CC2)[C@@H]1c1ccccc1 95570915 QQGDAORBHRLQBC-NFBKMPQASA-N 409.507 3.909 0 3 HHAF CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4F)c(C)c23)CC1 2931468 OHCXMBWOEZLPFL-UHFFFAOYSA-N 413.522 3.923 0 1 HHAF O=C1N[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1 6579608 FJDKMRVTSRTHNT-UBFVSLLYSA-N 416.521 3.891 0 1 HHAF COc1ccnc(C[S@@](=O)c2nc3cscc3[nH]2)c1OC(F)(F)C(F)F 13448836 ZXKYXYXCRLJFRS-SANMLTNESA-N 409.386 3.573 0 1 HHAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([C@H](C)O)[nH]c(=O)c12 13585137 AIUPGVJWJQYGSO-YFKPBYRVSA-N 405.694 3.844 0 1 HHAF O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccc(F)c1 28570690 MXSJSHDIEDILST-KRWDZBQOSA-N 424.476 3.938 0 1 HHAF COCC[C@@H](CC1(C(=O)Nc2nnc(Cc3ccccc3)s2)CCCC1)C(=O)O 28641129 YMFSGRQEKSFORX-INIZCTEOSA-N 417.531 3.755 0 1 HHAF O=C1c2cc(Br)c(Br)n2[C@@H]2C(Cl)(Cl)[C@@]23CCCN13 28819705 TXBSLKWTQVBRDL-VHSXEESVSA-N 414.912 3.730 0 1 HHAF O=C(O)c1ccc(COc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1 29332566 SZSYPPLBWDWPBL-UHFFFAOYSA-N 401.418 3.803 0 1 HHAF COc1ccc(-c2c3cc4c(cc3cc(=O)n2NC(=O)OC(C)(C)C)OCO4)cc1 45352282 GLQYBHSWTNIFJZ-UHFFFAOYSA-N 410.426 3.884 0 1 HHAF Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 64573560 ALYOAWZYSZLYLO-UHFFFAOYSA-N 405.951 3.612 0 1 HHAF Cc1c2c(n3c1CCCN(C)C[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71318863 RXGGUZTXPMNFOO-HNNXBMFYSA-N 422.573 3.718 0 1 HHAF COc1ccc(-c2nc3c(NCC4CCNCC4)c(Br)cnc3[nH]2)cc1 84618013 WOTWXKACTZFRQE-UHFFFAOYSA-N 416.323 3.808 0 1 HHAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cccc21 145714566 NXAMBFKPVFQVFC-QGZVFWFLSA-N 413.424 3.862 0 1 HHAF CC(C)Oc1ccc(N2CCC3(CCC(O)(CN4CCCCC4=O)CC3)C2=O)cc1 169701636 MZTCLPDWZWEGMR-UHFFFAOYSA-N 414.546 3.515 0 1 HHAF COc1ccccc1NC(=O)c1c(N)cccc1S(=O)(=O)c1cc(C)cc(C)c1 205719864 VMMFGPVOIURLFE-UHFFFAOYSA-N 410.495 3.979 0 1 HHAF Nc1ncnc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c12 586984244 OZYXSJNMHVRBEQ-UHFFFAOYSA-N 409.247 3.617 0 1 HHAF COC(=O)c1cccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 586984361 FOEDLOKBFDXHMS-INIZCTEOSA-N 416.275 3.532 0 1 HHAF O=C(O)c1cccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 587006442 NPWHARUDNVHOGM-UHFFFAOYSA-N 424.254 3.901 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587182417 ODLQRZORTXCIFA-RXMQYKEDSA-N 424.139 3.838 0 1 HHAF COC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1OC 587205875 UTGHSNOZFDOWDW-CQSZACIVSA-N 405.495 3.840 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587719232 PJIKHUTXDWYKRF-XYZCENFISA-N 416.287 3.754 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 587762281 SBJZIVXTQJOZFR-BBATYDOGSA-N 417.278 3.850 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 587768650 LPDWBSNZUDYPHV-MPBGBICISA-N 417.278 3.784 0 1 HHAF CCOC(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587778886 ONPMYFWIDITDHC-HXPMCKFVSA-N 407.283 3.714 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 587847720 HDNXXTADFROWSO-KPZWWZAWSA-N 412.324 3.812 0 1 HHAF CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)CC1 621439778 MGUMHGQFUPOHMX-RZQQEMMASA-N 410.555 3.801 0 1 HHAF O=C1Nc2ccc(I)cc2[C@@]12Nc1ccccc1-n1cccc12 653693472 YAYNEYNJEGDONL-SFHVURJKSA-N 413.218 3.703 0 1 HHAF COC(=O)c1ccccc1-c1c2ccoc2c(OCCN(C)C)c2oc(=O)ccc12 653769982 PUBWKBORQITVIR-UHFFFAOYSA-N 407.422 3.933 0 1 HHAF COc1cc([C@@H]2NCCc3ccc(F)c(C)c32)cc(Br)c1OCC(=O)O 962145475 MDGWTYCTLKXCOC-SFHVURJKSA-N 424.266 3.604 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@H](C1(C)COC1)N2C(=O)OC(C)(C)C 962703191 FWXPVKKOPHFNKK-VGOFRKELSA-N 405.466 3.555 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c(Br)ccnc2F)N1 962968722 DNUXMUJGSVGFJT-ZANVPECISA-N 421.600 3.603 0 1 HHAF COc1cc(C=CCO)ccc1O[C@@H](C)[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 2356633122 YKCQRENZSQIALG-RCDICMHDSA-N 400.427 3.501 0 1 HHAF O=C(CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCc1ccccc1Cl 6750285 XNWHFUZUNBSVQY-FQEVSTJZSA-N 407.857 3.518 0 1 HHAF O=C(O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3o2)c(=O)c2ccccc12 13448973 FTPBFNMYCGQFGU-UHFFFAOYSA-N 404.209 3.520 0 1 HHAF COc1ccc(C2=NN(CC(=O)c3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26569204 HMKJSFGZWJJYNY-RTBURBONSA-N 406.482 3.939 0 1 HHAF CCCCCOc1ccc(C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)C(=O)O)cc1 27852608 INZBWOZGRNRXIM-MAUKXSAKSA-N 402.318 3.951 0 1 HHAF COc1cc(OC)c2c(=O)cc(-c3ccccc3Cl)oc2c1CN1CCOCC1 28897084 QMNUMVUUOKTPSB-UHFFFAOYSA-N 415.873 3.963 0 1 HHAF CCCN1CCN(C(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)CC1 58119817 OPXUURPECQSYAP-UHFFFAOYSA-N 409.559 3.935 0 1 HHAF Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCC(N3CCCC3)CC2)cc1 62225028 OCTOTSFTKODCCC-QHCPKHFHSA-N 420.536 3.510 0 1 HHAF CCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3OCC)n2)C1 82069546 JGHNKLLSEAZFQA-MRXNPFEDSA-N 415.559 3.977 0 1 HHAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCCCc2ccccc2)c(OC)c1 96928001 SLTUDWRZOIMYHS-QFIPXVFZSA-N 424.497 3.898 0 1 HHAF COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ncnc(N)c23)ccc1Oc1ccccc1 100619112 OUVSNIAXTVDCIH-CWSKOGRWSA-N 417.469 3.803 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C 104557031 YEBWVORVAAIZRK-IMLWBLRKSA-N 404.595 3.926 0 1 HHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ncccc3C)ns2)n1 144515649 XFDAGNBBOZKUIP-UHFFFAOYSA-N 402.487 3.922 0 1 HHAF CC(C)[C@]1(C)CC(=O)N(Cc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)C(=N)N1 148344407 IXLHCAZISVFYGN-XDHUDOTRSA-N 406.530 3.849 0 1 HHAF COc1cccc2c1CN(C[C@@H](O)COc1cccc(CNC3CCCC3)c1)CC2 219775270 CDVGOVSUKKEHDR-JOCHJYFZSA-N 410.558 3.525 0 1 HHAF COc1ccc(F)c(CN2CCOc3ccc(CN4CCCC[C@H]4CO)cc3C2)c1 257371876 YDVRIQFYIWFRNH-NRFANRHFSA-N 414.521 3.576 0 1 HHAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 299876911 GLFTVHAVDQJJPP-NRSPTQNISA-N 412.530 3.817 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(F)cc(Br)c3[nH]2)cc1 586940742 DYGKYSRLIANYTM-VOTSOKGWSA-N 424.295 3.863 0 1 HHAF CCOC(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014082 JHHBCFOIJOLNSI-UHFFFAOYSA-N 402.476 3.888 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 587116027 KKVMISROKVUACX-UHFFFAOYSA-N 401.142 3.588 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 587154749 GJXGCOBWXPDKFF-HXPMCKFVSA-N 418.266 3.983 0 1 HHAF COc1cc2c3c(c1)O[C@](COC(=O)c1ccc(N)cc1)(c1ccccc1)[C@@H](C2)C3=O 587432861 NFSUZGIXNCXGJE-NBGIEHNGSA-N 415.445 3.777 0 1 HHAF O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587570630 OTAFDYDJIIHHBC-CVDCTZTESA-N 420.348 3.749 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C(=O)C2 587583069 PZVSVQSJMFBQFY-XUZZJYLKSA-N 401.418 3.920 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC1OCCO1 587618564 UTSDTYKTTSBORD-URXFXBBRSA-N 420.417 3.847 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 587770222 RJYDJNMJBFLKJG-NSPYISDASA-N 409.299 3.766 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(Cl)cc4[nH]ncc34)N12 962635430 IYEDEZPQEDRCML-SIKLNZKXSA-N 406.873 3.953 0 1 HHAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(CCc3cc4c(cc32)OCC4)N1 962697078 KVIWNCWOSUOZLV-XLIONFOSSA-N 407.363 3.568 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962700610 KFHVENNTTANKJU-BSOUQAEPSA-N 422.422 3.934 0 1 HHAF CCN1CCc2c(sc(NC(=O)Nc3ccc(Br)cc3)c2C(N)=O)C1 1772608898 PXMKQSGOGGEBDI-UHFFFAOYSA-N 423.336 3.632 0 1 HHAF Cc1cn([C@@H]2CCCN(C(=O)c3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772640292 NJIGJBDNGXATMV-GOSISDBHSA-N 405.454 3.527 0 1 HHAF O=C(O)c1ccc(-c2csc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1 1857747086 PBQFDJQMLXIHKW-UHFFFAOYSA-N 408.435 3.907 0 1 HHAF CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1C 2459789 JNZMNQVFIPASOT-GJZGRUSLSA-N 406.548 3.890 0 3 HHAF Cc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)cc1C 12073763 SSSPDBFLSFZWBU-UHFFFAOYSA-N 423.601 3.980 0 3 HHAF c1cc(-c2cc3nc(NC4CCCCC4)ccn3n2)ccc1OCCN1CCOCC1 61902825 NFTNMOHXYUNQTI-UHFFFAOYSA-N 421.545 3.852 0 3 HHAF CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 3591495 FUFLKUUJALDYJP-UHFFFAOYSA-N 417.509 3.633 0 1 HHAF CC(=O)N1CCC(N2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 12303922 IYSKNRJMGUXIEN-HSZRJFAPSA-N 409.505 3.907 0 1 HHAF CCCC[C@H](NC(=O)OCC1(CC)CCCCC1)C(=O)C(=O)Nc1ccnn1C 13583803 FRTAXZIDJZYSIC-INIZCTEOSA-N 406.527 3.573 0 1 HHAF CN(C)CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681880 VNYKJBBLKRYEQW-PDLBJYQGSA-N 412.574 3.502 0 1 HHAF O=S1(=O)[C@@H]2C[C@@H]3O[C@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 13830978 DZSBJQYROJIKMG-IYWMVGAKSA-N 407.894 3.708 0 1 HHAF COc1cc(CCc2cccc(O)c2)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](O)C2 14697302 ROBJEENLSUOGLU-RDGATRHJSA-N 422.477 3.937 0 1 HHAF biogenic C[C@@H]1Cc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2NC1=O 28527243 LADOJIGNBBJTQR-MRXNPFEDSA-N 406.555 3.792 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29413249 SZDSCLOAPYDVBU-BKYWCFHRSA-N 402.579 3.513 0 1 HHAF COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 72112749 CRVXXEZDJABOJD-UHFFFAOYSA-N 407.514 3.518 0 1 HHAF CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O 85628485 NSTQDXIOQMRTQA-PZJWPPBQSA-N 407.551 3.719 0 1 HHAF biogenic,in-vitro O=C(CCCCCCCCCCc1ccc2c(c1)OCO2)[C@H]1C(=O)CC[C@@H](O)C1=O 85881554 VMRCJHDMRMZQBE-OFNKIYASSA-N 416.514 3.947 0 1 HHAF COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 85957181 USYOOQFISINJLZ-WPJTWDLLSA-N 406.519 3.959 0 1 HHAF in-man CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@@H]1C5 100880155 UYFOANFUTFLIOV-PCWWUVHHSA-N 416.521 3.819 0 1 HHAF C[C@@H]1CC[C@@H](Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1 118561235 FULUINOHYCLIMM-IEBWSBKVSA-N 413.481 3.888 0 1 HHAF CCNc1nc(Nc2cn(C(C)(C)c3ccn(C)n3)nc2C)ncc1C(F)(F)F 139874620 ISZJAZJOOJYYPL-UHFFFAOYSA-N 408.432 3.693 0 1 HHAF O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CCOC3)CC2)cc1)N1Cc2ccccc2C1 166498960 HKCRRDYUCKFNLX-QFIPXVFZSA-N 419.525 3.977 0 1 HHAF C[C@H](CN1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccc(O)cc1 253684211 KOYJFOQYVCNACC-CEYNDMKZSA-N 410.558 3.835 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCCC4(C)C)n3)C2)cc1 261085991 CNOYUIZDWJNTPI-LAUBAEHRSA-N 423.561 3.710 0 1 HHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1 586936764 AJRVXCDAQFOZTP-UHFFFAOYSA-N 417.716 3.661 0 1 HHAF O=[S@](CCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Br)cc1 586957672 AKVRPLXEJNJOSW-XMMPIXPASA-N 403.305 3.942 0 1 HHAF Ic1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587040345 HDIFICIFGGBFJU-UONOGXRCSA-N 422.295 3.509 0 1 HHAF O=C1CSC[C@@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)N1 587044572 ZCLKXPLGMAQYRA-AWEZNQCLSA-N 420.416 3.738 0 1 HHAF COC(=O)c1ccnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12 587091412 KRIYDDPXMDAWBX-UHFFFAOYSA-N 420.269 3.766 0 1 HHAF C[C@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344217 WMJNNINLCPUMSC-FYYLOGMGSA-N 416.412 3.781 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595846 OXBOYGNARIINHI-WZONZLPQSA-N 403.390 3.518 0 1 HHAF CCNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587753184 GOPNIJIVJMGXRC-YUNKPMOVSA-N 421.310 3.727 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1CCN(C)CC1 587859296 HXQHFKIDWZQYHB-UHFFFAOYSA-N 411.333 3.533 0 1 HHAF Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)co4)CC[C@@H]32)ccc1Cl 653714949 AGDRDTDMBKFWKW-BSPHMWTBSA-N 407.850 3.631 0 1 HHAF COc1cc(OC)cc([C@@]2(c3cccc(OC)n3)NCCc3ccc(F)c(C)c32)c1 962095446 XBJURQSJZUIMNU-DEOSSOPVSA-N 408.473 3.993 0 1 HHAF CCN(CC)CCN1C(=O)[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2ccccc21 963113710 ZMVVIGPTHWWFMP-NLFFAJNJSA-N 407.533 3.778 0 1 HHAF C[C@H](NC(=O)CN)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](F)C2)cc1 1772609188 SXFAWUZTJFAXHE-HJPURHCSSA-N 411.521 3.638 0 1 HHAF COc1cc(OC)cc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857591395 CWMOSIFYRGEUMT-XMMPIXPASA-N 401.466 3.611 0 1 HHAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 36384276 PHULLWZIHXYSNR-PZJWPPBQSA-N 410.514 3.904 0 3 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C(C)C)cc1 95568662 NXECHACFIBJKMB-CTNGQTDRSA-N 405.491 3.779 0 3 HHAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccs3)C2)cc1 201441257 BAQIJFAFYIYGLM-INIZCTEOSA-N 420.600 3.763 0 3 HHAF O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12)c1ccccc1 13675595 FLHKMZZRGWEXIB-UHFFFAOYSA-N 415.840 3.939 0 1 HHAF Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCCCC1 14598300 BCVVZQTVNPNDRX-UYAOXDASSA-N 404.576 3.964 0 1 HHAF COc1ccc(C(=O)O[C@H](c2ccc(OC)c(OC)c2)[C@@H](C)C(C)=O)cc1OC 15119356 AGVOQRRWXUMWQJ-ZSEKCTLFSA-N 402.443 3.844 0 1 HHAF biogenic CN(C)CCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 21289145 WBGYUVVZVWPMCL-UHFFFAOYSA-N 401.312 3.895 0 1 HHAF O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)c3ccc4c(c3)OCO4)[C@@H]2C1 26158649 MEOIIKOGHGNDTH-LIXIVLIBSA-N 400.471 3.593 0 1 HHAF C[C@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@@H]3CC[C@@]21C 26185458 WUXOBBJUEKXKHZ-OMCWFXPWSA-N 404.576 3.624 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1 27644820 KIQXRQVVYTYYAZ-XGIWGQLSSA-N 410.457 3.816 0 1 HHAF endogenous,world CCCC1=C(C(=O)OCc2ccc(C(=O)OC)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 40467031 STRPCAAJJSUBQF-OAQYLSRUSA-N 422.481 3.933 0 1 HHAF COc1cc([C@H]2Nn3c(nnc3-c3nc(C(C)C)cs3)S2)cc(OC)c1OC 64447673 CPXVGPIZYVVKMO-INIZCTEOSA-N 419.532 3.899 0 1 HHAF O=C(N1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)C(F)(F)F 72101194 IIVANZCIAKPPPH-INIZCTEOSA-N 417.353 3.896 0 1 HHAF COc1cc2nc(N3CCOCC3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82127042 HWHNJPFWIHVLBT-INIZCTEOSA-N 408.502 3.699 0 1 HHAF COc1ccccc1CCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 82143020 OWXHRWFDVITMMC-UHFFFAOYSA-N 420.513 3.954 0 1 HHAF CCCc1nc2c(NCC(C)C)ncnc2n1CCCCOC(=O)C(F)(F)F 82178153 PMMMHCIYIQIXCV-UHFFFAOYSA-N 401.433 3.732 0 1 HHAF CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207684 YUOMEBPLWLVJLH-LJQANCHMSA-N 406.530 3.874 0 1 HHAF O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95794749 DZMCXYVTJFWCML-BJKOFHAPSA-N 422.544 3.947 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@@H](O)C2 215356220 ZOGKFZFUSNPOTE-GMAHTHKFSA-N 406.434 3.656 0 1 HHAF O=c1ccc2cc(-c3nc4c(Cl)ncc(I)c4[nH]3)ccc2o1 586918739 RIYPWKPKIYOAHB-UHFFFAOYSA-N 423.597 3.989 0 1 HHAF O=C(Nc1nc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cs1)c1cccs1 587020126 XXXKWUDRJXUUBB-UHFFFAOYSA-N 410.406 3.684 0 1 HHAF Fc1ccc(-c2nc3ncc(I)cc3[nH]2)nc1Br 587155013 IHJCHOXSCQZUHS-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF O=C(CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Nc1cccc(F)c1 587162316 JAPPNGOQPAXIQN-UHFFFAOYSA-N 415.368 3.567 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@H](C(=O)O)[C@@H]2C3)c1 587364090 WYPAYVIKZYDNFZ-JLDZCNIISA-N 400.434 3.969 0 1 HHAF C=CN1CCCC[C@@H]([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587440507 AQMSDPHXAZCTLG-KHCICDEESA-N 404.466 3.505 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NS(C)(=O)=O)N1 587840157 JUSFTXREWOZLSS-QGHHPUGFSA-N 413.312 3.583 0 1 HHAF CCCc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 653715462 MLVIGJVOQSHDAU-UHFFFAOYSA-N 424.541 3.852 0 1 HHAF COC(=O)C1CCN(c2nc(Cl)c([C@H]3NCCc4cc(C)c(F)cc43)s2)CC1 962147439 PHFVYLUQMAQJFY-INIZCTEOSA-N 423.941 3.869 0 1 HHAF COc1cccc2cc3c(nc12)C1(CCN(C(=O)c2ccc(C)cc2)CC1)NCC3 963041828 ZBOYSQOLBQLAEY-UHFFFAOYSA-N 401.510 3.829 0 1 HHAF CCOC(=O)CC(=O)[C@@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816488 CISOUPIFGPORQE-XMMPIXPASA-N 406.482 3.630 0 1 HHAF Cc1ccc2c(c1)cc([C@@H]1CC(c3ccc(Cl)cc3)=NN1C(N)=S)c1nnnn12 1857558172 PAWHGXJEUOLJDS-SFHVURJKSA-N 421.917 3.634 0 1 HHAF COc1c(/C=C/[C@](C)(CO)OC)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 1857648001 SDYUGOSPMGYUOF-VQKOGROQSA-N 400.427 3.583 0 1 HHAF Cn1c(=O)n(CCc2c[nH]c3ccc4c(c23)C=CC(C)(C)O4)c(=O)c2ccccc21 2356765488 WIPFLYROFHVKGF-UHFFFAOYSA-N 401.466 3.608 0 1 HHAF CC(=CC[C@@H]1C(C)=C[C@@]23C(=O)[C@@H](C=C(C)[C@H](O)[C@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C)C(=O)O 2356812909 CAZLJSUHQGDXKU-AAGQRADESA-N 414.542 3.519 0 1 HHAF COc1cc(CN2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)cc2c1OCO2 13637176 URGBWOONWGBUDF-QGZVFWFLSA-N 414.502 3.634 0 3 HHAF CCOC(=O)C(=O)N(C)c1c(CC)nc2c(OCc3cccc(Cl)c3)cccn12 61906177 OJNXLBBRLQTTCP-UHFFFAOYSA-N 415.877 3.655 0 3 HHAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC 2483862 YJHLWTWGXWUJFR-UHFFFAOYSA-N 411.296 3.786 0 1 HHAF C[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)[C@@H]1C 6724931 KSXAIWQJKUIRPO-MANSERQUSA-N 424.593 3.710 0 1 HHAF C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)[C@@H]1C 6724932 KSXAIWQJKUIRPO-NCXUSEDFSA-N 424.593 3.710 0 1 HHAF O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 13153052 RDHJLIIGGAPIEE-YIBUMMLISA-N 410.857 3.728 0 1 HHAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1COCCCc1ccccc1 13448008 KHTHDTHIFBMWBR-DHLKQENFSA-N 424.585 3.909 0 1 HHAF CC(C)C[C@H](NC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 28818176 PMHNFWJIPVUVTO-BQFCYCMXSA-N 422.547 3.653 0 1 HHAF O=C1O[C@@](CO)(COC(=O)c2ccc(C(F)(F)F)cc2)C/C1=C/c1ccccc1 40379801 USJXJTVCJXEYAW-PDANQNNMSA-N 406.356 3.624 0 1 HHAF O=C(C1CCCCC1)N1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc3ccccc13)C2 40423759 REHIEVFQRQVSNB-BGYRXZFFSA-N 412.555 3.784 0 1 HHAF CCCN(Cc1ccccc1C)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40915968 IIICKFCCDCBUPC-QFIPXVFZSA-N 400.473 3.665 0 1 HHAF CCOC(=O)c1cccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)c1 66104705 CIILEJHKOUMREY-UHFFFAOYSA-N 400.818 3.864 0 1 HHAF Cc1ccc(-n2nc3c4cc(CCc5ccsc5)ccc4nc(O)n3c2=O)cc1 66252848 FYOXWZFDOADHOW-UHFFFAOYSA-N 402.479 3.894 0 1 HHAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F 82150523 FMHZEPGYUINMPY-HOTGVXAUSA-N 400.498 3.531 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](NCC)CC2 88260888 UYCOPOHPGVBBQU-XZOQPEGZSA-N 400.588 3.767 0 1 HHAF CN1CCC[C@@H]1c1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cn1)C2 96174242 RKLNNMLXUKFPKO-ZJSXRUAMSA-N 405.542 3.877 0 1 HHAF COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(N(C)C)cc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c1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 169329597 ZOEXYEMQSFTACS-ZLNRFVROSA-N 408.546 3.920 0 1 HHAF CCN(CC)CCCNc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1 169348288 OAFRMXFROSZIEC-UHFFFAOYSA-N 416.533 3.808 0 1 HHAF O=C(O)c1cc(CC2=C[C@@H](C(=O)O)C(=O)[C@H](c3ccco3)C2)cc(-c2ccco2)c1O 169719942 JJFDMLSCPMXOIY-DOTOQJQBSA-N 422.389 3.870 0 1 HHAF CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@@H]1C(=O)OCC[Si](C)(C)C 195114711 WQFIZWCFRFXCPS-GTAWCEEGSA-N 402.563 3.907 0 1 HHAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCNc3ccc(F)cn3)c2)c1 201556261 YMMSTTHPDZCIHJ-UHFFFAOYSA-N 406.421 3.745 0 1 HHAF COc1cccc([C@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)n1 206338594 KBBLNINMJYECRI-LJQANCHMSA-N 403.467 3.870 0 1 HHAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253848722 BARMHYIDIPSZOD-WZAXVQITSA-N 423.553 3.786 0 1 HHAF COc1cc(Br)c([C@@H](N)c2nc3ccc4ncccc4c3[nH]2)cc1OC 586975583 NNHIVHSYHGRKSH-QGZVFWFLSA-N 413.275 3.939 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2c(Br)ccnc2[nH]1)C[C@H]1CCCO1 587196925 ZYKYDLDFDNSEQG-LLVKDONJSA-N 411.300 3.637 0 1 HHAF Cc1c(C)c2cc(Cl)c(O[C@@H](C)c3ccc4c(O)nc(O)nc4n3)cc2oc1=O 587368552 LFUGTPLKXNPMIB-JTQLQIEISA-N 413.817 3.953 0 1 HHAF O=C1OCC[C@@H]1Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587609613 OHMJPJVGYJEOJK-SXWKCWPCSA-N 418.401 3.789 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N(C)C)N1 587739413 GWJWIYLGJLDRKX-YUNKPMOVSA-N 421.310 3.679 0 1 HHAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O 587789853 DBYYGXNHQRHGMU-MLCYQJTMSA-N 424.266 3.684 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587790283 FLCYJARLGJOLBY-JEOXALJRSA-N 408.267 3.984 0 1 HHAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 587809631 SKFFYHSTKUMNGJ-MGNBDDOMSA-N 406.251 3.811 0 1 HHAF CCNS(=O)(=O)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c(NCc2ccncc2)c1 653717895 UBDSBGLRCKBYMZ-ZWOKBUDYSA-N 400.548 3.592 0 1 HHAF CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2)S1 962901898 SRHKMAYHMWFWAC-ZWCUEREDSA-N 413.518 3.981 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](CCO[C@H]2CCCCO2)N1 962921057 FVPXTRZBRSAWOQ-FKBYEOEOSA-N 413.470 3.758 0 1 HHAF C[C@@]1(c2cc(Cl)ncn2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180364 NATMQXHTDUSKAF-PSLIRLAXSA-N 406.191 3.665 0 1 HHAF CC(C)[C@H](N)[C@]1(C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963415207 KVWTZICOTQZTAQ-MZLICYQSSA-N 405.498 3.518 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCCC12CN(C(=O)OC(C)(C)C)C2 963629133 AEVKIHANLKWRQL-NPMXOYFQSA-N 402.535 3.854 0 1 HHAF CC(C)COc1ncc(-c2ccc(C(=O)NS(C)(=O)=O)c(Cl)c2)cc1Cl 1857587643 BOVHMCNEJOUNNX-UHFFFAOYSA-N 417.314 3.780 0 1 HHAF O=C(O)c1cnn(-c2ccccc2)c1NC(=O)c1cc2cc(Cl)ccc2oc1=O 1857764714 FWAZDKCXUAGSMJ-UHFFFAOYSA-N 409.785 3.583 0 1 HHAF O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CC2CCCCC2)nn1 2356298490 GVJQUGKOTMFGIV-VJBMBRPKSA-N 407.562 3.750 0 1 HHAF COc1ccc(C=CC[C@H](c2ccc(OC)c(OC)c2)[C@@H](O)CCO)cc1OC 2356489042 HXCGBYDGJKYLDZ-MOPGFXCFSA-N 402.487 3.651 0 1 HHAF CC1=C[C@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356653920 LMWAOEJVLPOFCM-VWPQPMDRSA-N 418.603 3.832 0 1 HHAF COc1cc(C(=O)NC(CCN)(c2ccccc2)c2ccccc2)cc(OC)c1OC 1639510 BDLGPSASQINYFC-UHFFFAOYSA-N 420.509 3.735 0 1 HHAF CCN1c2ncc(CCc3ccnc(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385130 CCJJPOCNADHZMF-UHFFFAOYSA-N 408.893 3.640 0 1 HHAF CC(C)c1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 61904341 VJMCGXIIHXGEHX-NRFANRHFSA-N 401.466 3.913 0 3 HHAF CC1(C)c2ccc(OCCOCCC(=O)O)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114803110 OFYJSKXCMNBHBW-UHFFFAOYSA-N 418.449 3.780 0 1 HHAF COC(=O)[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC 26248073 UZEDZLOOTHTXNN-LJQANCHMSA-N 400.500 3.790 0 1 HHAF CN1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)[nH]c23)CC1 35827097 IBQCKSNZGYIVBB-DFBJGRDBSA-N 416.573 3.609 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3cc(C)ccc3C)no2)c1 218149702 JTLJRVQNBMKZDI-FQEVSTJZSA-N 414.469 3.830 0 1 HHAF CCCCN(CCCC)CCS(=O)(=O)N1CCSc2ccc(OC)cc2C1 35282562 RMNLOTPWQYHKNX-UHFFFAOYSA-N 414.637 3.835 0 1 HHAF Cc1ccc(-c2ncco2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 226052194 PXRGSQSWFRMRIG-ZVZYQTTQSA-N 408.433 3.651 0 1 HHAF Cn1c(-c2ccccc2)c(/C=C/C(=O)NN2C(=O)c3ccccc3C2=O)c2cccnc21 1911582371 BTGRTAVFVKGVIN-BUHFOSPRSA-N 422.444 3.581 0 1 HHAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2CCCN1CCCC1=O 82180359 NUHXLTLWCBIKTI-UHFFFAOYSA-N 420.561 3.958 0 1 HHAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)OCS3(=O)=O)CC1 84713967 XPZKXUOYDIWNOW-UHFFFAOYSA-N 410.536 3.649 0 1 HHAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2cnccc2c1 96282783 LZKSEURVFRRIOD-UHFFFAOYSA-N 402.475 3.998 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 587799415 WVFJSYMCYOREDU-NZCGUCNHSA-N 417.322 3.839 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587789194 AKGUFFUMNYXEHE-OVWNDWIMSA-N 405.267 3.717 0 1 HHAF COC(=O)CC[C@@]1(c2ccccc2N)N[C@H](C)Cc2ccc(F)c(Br)c21 587744517 BYFFHFYVFIQSGI-ODXCJYRJSA-N 421.310 3.901 0 1 HHAF Cc1cccc(NC(=O)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C 587239192 LJNNNXPGOHKMLY-UHFFFAOYSA-N 402.248 3.822 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587194574 VGUHBMBGFPOMEA-LJQANCHMSA-N 424.549 3.912 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3o2)(C(O)O)[C@H]1c1ccc(F)cc1 587358270 WGGVGHNHCCFNMS-XUZZJYLKSA-N 420.392 3.843 0 1 HHAF COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622363 LVBITWJOPSDVDB-UHFFFAOYSA-N 416.206 3.969 0 1 HHAF CC(C)n1c(-c2nc3c(O)ncnc3[nH]2)cc(Br)c1Br 587005440 WEHDSPJDMVRVMX-UHFFFAOYSA-N 401.062 3.633 0 1 HHAF COC[C@]1(CCCCC2OCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832738 KRMAZNVBXHLZCO-YJYMSZOUSA-N 416.331 3.897 0 1 HHAF COC(=O)Cn1cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2ccccc21 962732138 XFGWATIFKNQWQE-PXNSSMCTSA-N 416.399 3.549 0 1 HHAF CC1CCN(c2nc(O)c(-c3nc4ccccc4s3)c(N[C@@H]3CCCNC3)n2)CC1 1772649417 SGNGIKDVVSBPQG-OAHLLOKOSA-N 424.574 3.859 0 1 HHAF O=C(NCC1CC1)[C@H]1CN(c2ccccc2)CC(=O)N1c1ccc2ccsc2c1 1772604778 DOEAFXSZVKSSQJ-HXUWFJFHSA-N 405.523 3.649 0 1 HHAF Cc1nnc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(C(F)F)c3)c2=O)o1 1772610330 QJACYTSXWHPAJC-UHFFFAOYSA-N 416.428 3.964 0 1 HHAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CC3)c2n1 207617349 RNRUHOJYKQGQGN-UHFFFAOYSA-N 401.474 3.999 0 1 HHAF COc1ccc(-c2cncc3nc(O)n(-c4cc(OC)c(OC)c(OC)c4)c23)cc1 1857551664 NFUXTPQZDQNHJB-UHFFFAOYSA-N 407.426 3.828 0 1 HHAF Cc1cc(Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc(C)c1Cl 1857598757 DHXXXPJJTNNZBN-UHFFFAOYSA-N 408.955 3.609 0 1 HHAF C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)c1 1857651250 GPYZDEKHMXWLRD-HNNXBMFYSA-N 417.509 3.934 0 1 HHAF COc1ccc(-c2nnc(-c3sc4ncnc(N5CCOCC5)c4c3C)o2)cc1 1857756902 GNACJMNTAWAKHZ-UHFFFAOYSA-N 409.471 3.562 0 1 HHAF O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccncc1 13743429 IACYSTWKDNTUMD-UHFFFAOYSA-N 408.477 3.732 0 1 HHAF COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@@H]1[C@H](O2)OC(C)(C)[C@@H]1OC(C)=O 14683793 YRLRQNVYUYVRRD-OYGALRCHSA-N 424.449 3.944 0 1 HHAF biogenic O=C(O)COc1c(C(=O)O)sc2c1sc1cc(NC3CCOCC3)ccc12 14955043 NDQOIELLUXEQSO-UHFFFAOYSA-N 407.469 3.869 0 1 HHAF C[C@H]1CC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@H](N3CCCCC3)[C@@H]12 27099214 SYPNOGGRCOHUCT-NFXUYKIYSA-N 416.606 3.510 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccccc1CC(=O)O 27873063 GZGKUZXJFIEQTG-OAQYLSRUSA-N 410.470 3.577 0 1 HHAF O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cc[nH]n4)n3c2)c1)c1ccccc1 71296711 SFUBWYCFOGBQIV-UHFFFAOYSA-N 416.466 3.587 0 1 HHAF O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)cc(OCCO)c12 85569463 NTOXBHZWUGROKX-UHFFFAOYSA-N 420.417 3.539 0 1 HHAF biogenic,in-vitro Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccc(F)cc54)ccc31)[C@H]1CC[C@H](C2)N1 100632607 LJWJHWJGSWSNNT-CRAIPNDOSA-N 409.486 3.858 0 1 HHAF COc1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(OC)c1 225061255 BGSRCYWSGOZUPC-UHFFFAOYSA-N 422.466 3.510 0 1 HHAF CC(=O)[C@H](O)[C@@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@H]1O 238741882 QWSRTOLIHWJYKS-UDAURILLSA-N 420.546 3.524 0 1 HHAF COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2ccccn2)cc1 299827610 PNDRCFNXVPIYHW-XDHOZWIPSA-N 414.421 3.545 0 1 HHAF C[C@@H](c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O)C1CCCC1 299858871 DYZSQTNWVOFBOT-LLVKDONJSA-N 401.336 3.686 0 1 HHAF Nc1ncc(-c2nc3cncc(Br)c3[nH]2)c(-c2ccccc2Cl)n1 587060338 BHWIRVHLVUYSKJ-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF FC(F)(F)COc1cc(-c2nc3cc(I)cnc3[nH]2)ccn1 587090872 AUNRYTPLZXVXKI-UHFFFAOYSA-N 420.132 3.566 0 1 HHAF C[C@@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341118 XVSDZESPZVLOSP-UPVQGACJSA-N 421.424 3.670 0 1 HHAF Nc1ncc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587573787 CZNNHXJBSSUFNL-REWPJTCUSA-N 411.417 4.134 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(O)c1OC 587593293 LENQPMFDWUWRBT-CVDCTZTESA-N 408.406 3.992 0 1 HHAF COC(=O)CC[C@]1(c2ccccc2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750990 VVIYMPPHCHHVJS-FKIZINRSSA-N 421.310 3.901 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826191 DDRISNDBKVMGAN-JEOXALJRSA-N 424.266 3.747 0 1 HHAF O=C(OCc1ccccc1)N1CCO[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587875795 MZEOWDMLWZUABT-IBGZPJMESA-N 423.400 3.473 0 1 HHAF CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 587952580 UCGSCIONWMMYCB-PNESKVBLSA-N 420.453 3.934 0 1 HHAF COC(=O)N(C[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12)c1ccccc1 962666121 MFWQPXSZAMXAKZ-RDPSFJRHSA-N 419.481 3.648 0 1 HHAF CON/C=C/[C@]1(c2ccc(OC)cc2)c2cccc(Br)c2CCN1C 963271259 TWQXZEKDUUSXKJ-SJFMBGHLSA-N 403.320 3.854 0 1 HHAF CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(F)(F)F)cc3)c3c(N)ncnc32)C1 1772600014 FGSCINMIORUDKX-CQSZACIVSA-N 418.423 3.668 0 1 HHAF Fc1ccc(C2(NC[C@H]3CC[C@H](c4nnn5cnc6[nH]ccc6c45)CC3)COC2)cc1 1772613955 MKVGALIDZYIDLI-WKILWMFISA-N 420.492 3.534 0 1 HHAF Cn1cc([C@@H](CNC(=O)c2c(Cl)cccc2Cl)N2CCC(F)(F)CC2)cn1 1772617573 HNESITFVGUXARM-OAHLLOKOSA-N 417.287 3.929 0 1 HHAF CC(C)CCc1c(-c2ccccc2C(C)C)ncc2c1c(=O)n(CCCO)c(=O)n2C 1857566791 QYOPXCXZLZIILD-UHFFFAOYSA-N 423.557 3.857 0 1 HHAF CC(C)c1cn2cccc(C(=O)NCC3CCN(CC4(O)CCCCC4)CC3)c2n1 1857759882 BJXMSENPVFIAQH-UHFFFAOYSA-N 412.578 3.595 0 1 HHAF O=C(c1coc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3217812 VMGIOMLIXQRFNI-UHFFFAOYSA-N 402.372 3.774 0 3 HHAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc2nsnc12 199717656 PDGVRQWWBJSXLI-QGZVFWFLSA-N 414.918 3.656 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H](O)CC 4054598 BMSXVYQZQMJYNS-LRQRDZAKSA-N 416.905 3.718 0 1 HHAF CC1=C[C@H](CNCCN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356477918 MHNPUUJSWIQIJL-HBMCJLEFSA-N 418.626 3.686 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(C/C=C/c2ccccc2)CC[C@@]314 101196965 SVFOKPBWCQSVPM-NNFYGKRXSA-N 401.506 3.673 0 1 HHAF CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 101634772 KPYIQJZAKZINCU-NHIYQJMISA-N 422.572 3.654 0 1 HHAF CSc1cccc(NC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 20563069 SVKFODVPKFEIMJ-UHFFFAOYSA-N 419.510 3.560 0 1 HHAF CCc1c2c(nc3ccc(OC)cc13)-c1cc3c(C(=O)OC)cccc3c(=O)n1C2 29126282 UYKRLHJHOQQKBB-UHFFFAOYSA-N 400.434 3.936 0 1 HHAF O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 2356505130 SLMMZNONABTNIB-RPWUZVMVSA-N 401.506 3.838 0 1 HHAF CCCO[C@@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)C(=CC=C4CCCC(C)(C)C4)[C@@H]3[C@@H]21 2356791824 IZZZOEMEYJMVAL-GOLQWDRCSA-N 420.502 3.626 0 1 HHAF COc1cc(C(=O)c2ccc(-c3cscn3)cc2-n2cncn2)cc(OC)c1OC 64564496 IBPZBJQVUWIRMJ-UHFFFAOYSA-N 422.466 3.648 0 1 HHAF CCCC[C@@]12C[C@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 34821588 HXVDIINIFFRSGI-VXKWHMMOSA-N 411.889 3.848 0 1 HHAF CC(C)C(=O)Nc1cccc(-c2ccc3c(c2)C[C@H](NS(=O)(=O)C(C)C)C3)c1 38279785 KTKAUYATGKDLDA-OAQYLSRUSA-N 400.544 3.743 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 88261020 SLCSSVAVCXUAJF-RPWUZVMVSA-N 412.599 3.863 0 1 HHAF c1cc(C2=NCCN2)ccc1Oc1ccc(-c2cc3ccc(C4=NCCN4)cc3[nH]2)nc1 45375203 QMTVPFKUYBABCG-UHFFFAOYSA-N 422.492 3.722 0 1 HHAF Cc1nnc([C@H]2CC[C@@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)s1 145067410 ZFKMGSPKDCVGEG-RYUDHWBXSA-N 406.462 3.691 0 1 HHAF CN1C[C@@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O 95573427 FVONZJMRTSGTPL-INIZCTEOSA-N 412.449 3.927 0 1 HHAF CC(=O)NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn32)CC1 254043424 MKMYAVUUMSCFQQ-WKILWMFISA-N 402.502 3.870 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 299882890 QMBGDWVVYSXZCH-ZUOWGZENSA-N 401.459 3.995 0 1 HHAF O=C(Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12)c1ccccc1 653768494 TVJWAQDNHMFKFF-UHFFFAOYSA-N 403.446 3.776 0 1 HHAF COC(=O)c1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587339418 QFPWEKSVGUGDEJ-NFBKMPQASA-N 407.397 3.987 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCc1ccccc1 587870105 ZGGFQDGDLMXVTP-UHFFFAOYSA-N 406.433 3.938 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797041 VFZSOTNOWZEILP-SUFBMKPHSA-N 402.304 3.553 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc(Br)cn1 587869741 QVGQKBVEJQFBSU-NSHDSACASA-N 407.243 3.948 0 1 HHAF COC(=O)c1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595371 RKGZUMHYAYWDMH-UGKGYDQZSA-N 406.390 3.890 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C1)O2 587398851 IMROHKFMPRNMKN-PFWHTEFJSA-N 406.482 3.960 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(Br)cc1C(=O)O 963614541 XEQAOQKREANQRR-MGNBDDOMSA-N 406.276 3.788 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1 962706293 XCMWKCYFXJXZCY-SWLSCSKDSA-N 419.277 3.854 0 1 HHAF CC(C)(C)C(=O)Nc1cnccc1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981707 VTVULFQUANTYOA-DYVFJYSZSA-N 423.847 3.686 0 1 HHAF COc1ccc([C@H]2SCC(=O)Nc3cc4c(cc32)OCO4)cc1Br 1772594376 YHZVXDSEKUILBC-QGZVFWFLSA-N 408.273 3.961 0 1 HHAF COc1ccc(C2=NN(Cc3ccc(C(=O)O)cc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474108 PVWGPCPZYAEPPN-RBUKOAKNSA-N 422.481 3.955 0 1 HHAF N[C@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1 205244321 RTXQHIFTFRSOGY-AWEZNQCLSA-N 403.465 3.539 0 1 HHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(Br)cc1 205735846 WDFDPBPPAMLOHU-UHFFFAOYSA-N 404.308 3.960 0 1 HHAF COc1ccc(-c2nc(CN3CCC[C@H](C(=O)NCc4ccco4)C3)c(C)o2)cc1 5044073 QTXNNUAHYFTVQP-SFHVURJKSA-N 409.486 3.780 0 1 HHAF COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc2c(c1)OCCO2 15786067 CJNJQIPAXGUNAT-UHFFFAOYSA-N 424.457 3.620 0 1 HHAF CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(I)ccc21 26175899 IBFFEPIOPMQPGM-UHFFFAOYSA-N 410.642 3.758 0 1 HHAF CC(C)c1csc(/C=C/c2cccc(NC(=O)[C@H]3OC(C)(C)O[C@@H]3C(=O)O)c2)n1 27423742 WLJRZJBDLOGSNM-XDIYQJDNSA-N 416.499 3.980 0 1 HHAF CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 28712947 KBRBDQUPSTVBGF-RCXJIHSJSA-N 420.553 3.875 0 1 HHAF COc1ccc(-n2c3cssc-3c(NC(=O)c3ccco3)c2=O)c(OC)c1 28714466 JKMJENXCZNFNLY-UHFFFAOYSA-N 402.453 3.928 0 1 HHAF COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1COC[C@@H]1C2 29544569 ISBPUPYMEACKEZ-YHEJKZAPSA-N 400.471 3.680 0 1 HHAF COc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(-c4ccsc4)cc32)cc1O 40950284 DUROZRXTLVHYHX-WQRHYEAKSA-N 406.463 3.530 0 1 HHAF Cc1nnc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)o1 45386957 XOOZTXGWGKJHCO-UHFFFAOYSA-N 405.380 3.902 0 1 HHAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(F)cc3F)cc21 95558777 OJTNVFFSKVKMQG-MRXNPFEDSA-N 417.408 3.794 0 1 HHAF CN(c1ccc2[nH]ncc2c1)c1c(NCc2ccc(Cl)cc2Cl)c(=O)c1=O 102939191 JEENXNNKWVZLHC-UHFFFAOYSA-N 401.253 3.846 0 1 HHAF CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CN(C2COC2)C1 146478319 AHJZDCOIBLHIJI-UHFFFAOYSA-N 405.424 3.824 0 1 HHAF COc1ccc2cc3[n+](cc2c1OCCCCCN)CCc1cc2c(cc1-3)OCO2 169321211 QWUWHHZVMKVHAH-UHFFFAOYSA-N 407.490 3.596 0 1 HHAF Cc1cc([C@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2cn1 169700143 NYHFSUBBKRBHFJ-YEWDVWPNSA-N 420.366 3.892 0 1 HHAF Cn1cc(C(=O)c2cncc(NC(=O)Nc3ccc(Cl)cc3)c2)c2cncnc21 169707847 KFITVMAQWAGHAA-UHFFFAOYSA-N 406.833 3.892 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@@H]2CCCC[C@H]21 586962270 WFIGMHRETLDWNO-CFVMTHIKSA-N 417.922 3.652 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(F)cc1 587169796 AICSDTJHOAECBP-UHFFFAOYSA-N 423.429 3.752 0 1 HHAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609165 MMSHINPADSKDPU-YKSBVNFPSA-N 416.385 3.919 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@H](C)Cc2cc(Br)c(F)cc21 587749023 ZPALDTIPASEUNM-HGBAJMFGSA-N 421.310 3.787 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 587769562 OACDYXBIUQQJBM-ABKXIKBNSA-N 411.271 3.633 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1[C@](C)(Cc1ccc(O)c(OC)c1)C(=O)O 587871880 OYCJVMBCELEOTR-JOCHJYFZSA-N 414.433 3.845 0 1 HHAF CC(=O)N(C)[C@H](C)[C@]1(c2ccc3c(c2)OCO3)c2ccc(F)cc2C[C@H]2CCCN21 963092473 KSFFCAXDHQFVQL-VEQVNTQVSA-N 410.489 3.685 0 1 HHAF O=C(c1cccn2cncc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 1772615245 HDXOKNFWVWBAOR-IBGZPJMESA-N 408.408 3.811 0 1 HHAF O=C(c1ccnc(Nc2nc3cc(NC4CC4)ncc3[nH]2)c1)N1CCC(F)(F)CC1 1857534272 NTQLVOGWIKIRJL-UHFFFAOYSA-N 413.432 3.542 0 1 HHAF Cn1nccc1-c1csc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)c1 1857585851 SGZPWEJRZLFGLZ-DLBZAZTESA-N 400.935 3.678 0 1 HHAF Oc1n/c(=C\c2cccs2)c(O)n/c1=C\c1cccc(Oc2ccc(F)cc2)c1 1911586825 DYSGNAOCJSPPIC-YXZJEIOKSA-N 406.438 3.538 0 1 HHAF COC(=O)[C@@]1(C)[C@H]2CC[C@H]3[C@@H](C)c4ccoc4C[C@H]3[C@@]2(C(=O)O)CC[C@H]1OC(C)=O 2356486436 RZUPNWIKIOESCU-AULVCYTGSA-N 418.486 3.557 0 1 HHAF O=C(Cc1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 12360850 NJMROBZSRXDBRH-VWLOTQADSA-N 424.456 3.931 0 1 HHAF COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1 13445386 LYKQJJQHRZAFLA-UHFFFAOYSA-N 413.587 3.982 0 1 HHAF O=C(O)CC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 13447356 PLNFKYPQSOGZAX-QGWWYQLQSA-N 420.937 3.778 0 1 HHAF CC(C)OCCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28133511 ZPZWYVKJJCXIJH-UHFFFAOYSA-N 405.926 3.747 0 1 HHAF CC(C)NC[C@@H](O)COc1ccc(OCCOCCc2ccc(Cl)cc2)cc1 29337304 RVHHUVYZMGWMPH-HXUWFJFHSA-N 407.938 3.716 0 1 HHAF COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)cc1 29416615 WCDUODNINIBKMY-FQEVSTJZSA-N 416.905 3.657 0 1 HHAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1 43772557 KIQXRQVVYTYYAZ-LZWNVFGMSA-N 410.457 3.816 0 1 HHAF in-man COc1cc([C@H]2OC(c3nc(C(C)C)cs3)=NN2C(C)=O)cc(OC)c1OC 45255538 KJIDKBBDRDQHBC-LJQANCHMSA-N 405.476 3.531 0 1 HHAF Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Cc4cccc(F)c4)c3)c12 84726404 HTIVLOYRWDRPOV-UHFFFAOYSA-N 418.428 3.660 0 1 HHAF O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)[C@H](CO)N12 95668746 BQMHFLZDQZXGCU-USZFVNFHSA-N 416.496 3.664 0 1 HHAF Cc1cccc(C)c1NC(=O)CCSc1nnc(Cn2nnc3ccccc32)o1 103207129 JFZRUMNCYSNJCL-UHFFFAOYSA-N 408.487 3.600 0 1 HHAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(-c3ccsc3)cc12)c1ccccc1 114344527 CXYKJAAMQBLUAU-LJQANCHMSA-N 403.511 3.830 0 1 HHAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ccc3ccccc3n2)C1 116977977 RUAXDPKWKKZUQZ-OAHLLOKOSA-N 414.513 3.943 0 1 HHAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)no4)nc3n21 117698379 LPPKYSFULWRWFC-CQSZACIVSA-N 415.453 3.562 0 1 HHAF O=C(NCCc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167677102 DQVQCWOEGNUIBF-UHFFFAOYSA-N 408.465 3.988 0 1 HHAF C[C@@H](c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CS(=O)(=O)c2ccsc21 169348912 JLDAMWQKGBMEFH-QMMMGPOBSA-N 409.382 3.667 0 1 HHAF CCOc1cccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1 220260119 CFSTZRGKPAIBIX-UHFFFAOYSA-N 417.512 3.873 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1 261104166 HDDZEXAXEGCJCU-QUCCMNQESA-N 402.498 3.606 0 1 HHAF c1cnc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)nc1 473154911 MOJQSPUHCBQVRK-UHFFFAOYSA-N 415.497 3.876 0 1 HHAF CCS(=O)(=O)NCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586944791 ZROZQHGSFJUIAP-UHFFFAOYSA-N 400.529 3.712 0 1 HHAF Fc1c(Br)ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587008630 MZJARUQZHVLQNN-UHFFFAOYSA-N 411.032 3.937 0 1 HHAF Nc1ccc(-c2ccc3nc(-c4cnn5cc(Br)cnc45)[nH]c3c2)cc1N 587009185 WAIRETJUZLHRAQ-UHFFFAOYSA-N 420.274 3.867 0 1 HHAF Oc1nncc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 587166018 QADROVCKKNLMGZ-UHFFFAOYSA-N 401.405 3.535 0 1 HHAF Nc1ncc(-c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cn1 587254813 PQDHZCRSVAEZSN-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593300 LFPGQMIBWLCXQG-CTIGNXTNSA-N 416.429 3.985 0 1 HHAF Cc1ccc(S(=O)(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606349 HGZJAIRKMIGCNX-OFNKIYASSA-N 424.474 3.895 0 1 HHAF COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4ccc(S(C)(=O)=O)cc34)c(=O)c2c1 587651592 WSXVPOUZPLQDIG-UHFFFAOYSA-N 410.495 3.629 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 587767579 RVNOQVQJGUFSQX-SPLOXXLWSA-N 418.354 3.964 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccncc3OC(F)(F)F)N12 962667549 NJBDTTQOEAFYFY-XLIONFOSSA-N 417.387 3.716 0 1 HHAF CCOC(=O)[C@]1(c2cc(OC)cc(OC)c2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962947501 NRIFUOLRQPEUBH-UPCLLVRISA-N 408.498 3.916 0 1 HHAF COC(=O)C[C@@]1(C2CCCC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174155 FQIQSWMBIPHTKD-QAPCUYQASA-N 419.827 3.906 0 1 HHAF C[C@@H](C=C[C@@H](C)CO)[C@@H]1C[C@H](O)C2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356666509 ZAZQQOOBLLITLN-PVIRAENMSA-N 418.618 3.833 0 1 HHAF CC(=O)Nc1ccc(C2=NN(Cc3nnc(-c4ccccc4)o3)C(=O)SC2)cc1 721929 PZNRGPNAYAIDGB-UHFFFAOYSA-N 407.455 3.768 0 3 HHAF COc1ccccc1-c1cc(NC=O)c2ncc(-c3cccc(C(=O)N(C)C)c3)n2c1 61907066 CIZMEUBNBFYQBP-UHFFFAOYSA-N 414.465 3.947 0 3 HHAF CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1)C1CCC1 61958665 GFGRPQUMVJGCSS-QGZVFWFLSA-N 415.534 3.897 0 3 HHAF CN(Cc1ccc([S@@](=O)C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780506 CVMXFRQGRMMRMB-OFJJUDJNSA-N 424.444 3.709 0 1 HHAF CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 14361069 YAAVCAUEVGYBEX-OFVDUGFESA-N 422.953 3.579 0 1 HHAF COc1ccc(Nc2nc(NN=Cc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1 15985656 MQAYHVCYUJWVEG-UHFFFAOYSA-N 421.461 3.957 0 1 HHAF aggregator O=C(Cc1cccnc1)N1CCN([C@H](c2ccncc2)c2ccc(Cl)cc2)CC1 27990077 WBHCHABRJFCMCG-QHCPKHFHSA-N 406.917 3.606 0 1 HHAF N[C@@H](CC(=O)Nc1ccc(-c2ccc(F)c(Cl)c2)c(C(F)(F)F)c1)C(=O)O 28528162 MJVRZPPTZDJHOD-AWEZNQCLSA-N 404.747 3.905 0 1 HHAF O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@@H](c1ccccc1)C1CC=CC1 28818655 VZNOZNWGKXJBIT-VWLOTQADSA-N 417.553 3.871 0 1 HHAF COC(=O)C1=CCC[C@H]2[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 38899941 FTEABFMXJHIPSR-PPSPBXPTSA-N 416.470 3.741 0 1 HHAF biogenic,in-vitro COc1ccc(N2CCc3c(-n4ccc(N5CCOC5=O)n4)cc(C)nc32)c(C)c1 40393173 SFKZTYNZQNLGDJ-UHFFFAOYSA-N 405.458 3.544 0 1 HHAF CN1C(C(=O)Nc2ccc(Cl)cc2)=C(O)c2ccc3ccccc3c2S1(=O)=O 40526357 CNOWOTFZZDCREC-UHFFFAOYSA-N 414.870 3.993 0 1 HHAF CCNC(=O)c1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c1 40898807 AYYSDUAMMLOMDR-KRWDZBQOSA-N 402.878 3.787 0 1 HHAF O=C1OC2(CCC(CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1cccnn1 43197455 ROJFHSOQNDIPBB-UHFFFAOYSA-N 422.464 3.799 0 1 HHAF in-vivo CC(C)n1cc(-c2ccnc(NC[C@H](C)O)n2)c(-c2cnc3[nH]cc(Cl)c3c2)n1 43202600 VDYYVGATJONUQU-LBPRGKRZSA-N 411.897 3.910 0 1 HHAF Cc1ccccc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O 66074762 NRNNHHZBGBMVEL-FQEVSTJZSA-N 420.469 3.620 0 1 HHAF O=C1CNc2ccc([C@@]3(O)c4ccccc4C(=O)N3c3cccc(Cl)c3)cc2N1 116252726 VBZSFJIAULDMFO-JOCHJYFZSA-N 405.841 3.558 0 1 HHAF Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NC2CCOCC2)cn1 142911800 KOMJBSYYTWBJBF-UHFFFAOYSA-N 411.433 3.672 0 1 HHAF COc1ccc2c(c1)[C@]1(N=C(N)N(C)C1=O)c1cc(-c3ccc(C)cc3)cc(F)c1O2 146951311 XPSVCWWCFKBVGW-DEOSSOPVSA-N 417.440 3.946 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(=O)O)c1OC 587591142 FYTHJZCGSCFGPC-GHTZIAJQSA-N 422.389 3.811 0 1 HHAF C[C@@H](Oc1ccc(Br)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587650954 IKTAILSKGIRKTI-SNVBAGLBSA-N 407.651 3.920 0 1 HHAF CC(C)(C)OC(=O)N1CC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 587660010 AYDRYDIPSXKPGX-UHFFFAOYSA-N 423.444 3.710 0 1 HHAF Cc1ccc([C@H](O)Cc2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)c(C)n2)c(C)n1 963134997 VEEIZQUXSVGJQY-RPWUZVMVSA-N 417.509 3.611 0 1 HHAF CCOC(=O)CC[C@@]1(c2ccccc2Cl)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526149 NOXBDXSQVDKCRE-AVRDEDQJSA-N 417.889 3.540 0 1 HHAF CCOC(=O)Nc1snc(C)c1[C@]1(C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963643190 ZKZITYJVRCLDCV-YBTHPKLGSA-N 405.520 3.835 0 1 HHAF CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2ccc(C(=O)NC)cc21 1857592723 CGMZBEPXCLYWRJ-UHFFFAOYSA-N 421.447 3.978 0 1 HHAF COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccc(OC)c(Cl)c1 2356638266 XNCBWUXOIKPLGI-UHFFFAOYSA-N 416.813 3.767 0 1 HHAF CN(C)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 11665170 JUSRXQPPMSWLIT-SFHVURJKSA-N 411.521 3.841 0 3 HHAF O=C([C@H]1CCC(=O)N(C2CCCCCC2)C1)N1CCN(c2ccccc2Cl)CC1 12435657 IXAMIDHXKVHKHZ-SFHVURJKSA-N 417.981 3.950 0 3 HHAF CCOC(=O)CN1C(=O)[C@@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2ccccc21 36381984 ZLEYVJQFPLOJRX-NBGIEHNGSA-N 421.493 3.996 0 3 HHAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1cccnc1 5397089 LZXZTNBVTHFMNC-OALUTQOASA-N 410.518 3.677 0 1 HHAF biogenic O=C1CCCC2=Nc3nc(S)nc(O)c3[C@H](c3ccc(Br)cc3)[C@H]12 8762836 YYNMJQDNTKGFFZ-OLZOCXBDSA-N 404.289 3.821 0 1 HHAF COc1cc(CCC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)ccc1O 13377905 CDIQAHPGTJXRRX-LJQANCHMSA-N 416.470 3.571 0 1 HHAF biogenic,in-vitro COc1ccc(CCN2c3cc(C)ccc3N(C)S(=O)(=O)c3cccnc32)cc1 28637519 CCBZXGJZMIJXEX-UHFFFAOYSA-N 409.511 3.918 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@]4(C)[C@@H]3CC[C@]12C 40449654 ZMAIFLOHRXCDQS-AMUVQHJVSA-N 418.622 3.959 0 1 HHAF CCC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OC/C=C/c2ccccc2)CSC1(C)C 40566901 AEUMVJYPIPOWSJ-RTGRKSDTSA-N 403.544 3.928 0 1 HHAF CCCNC(=O)OC[C@H]1C[C@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nc(C)n1 43527720 SXNUILMUOGHYRE-ZACQAIPSSA-N 400.548 3.828 0 1 HHAF biogenic NNc1ccc(C(=O)NCCCCCNc2c3c(nc4ccccc24)CCCC3)cn1 89464951 OGHOWRIMPXHKCE-UHFFFAOYSA-N 418.545 3.806 0 1 HHAF CC(C)CN(Cc1cc(O)c2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccn1 95557522 UQCRJDFPXKEMNK-UHFFFAOYSA-N 402.516 3.818 0 1 HHAF CCN(CC)Cc1cc(OC)c(O)c2c[n+]3c(cc12)-c1cc2c(cc1CC3)OCO2 169308038 PXOFMJBGOMMRJL-UHFFFAOYSA-O 407.490 3.635 0 1 HHAF COc1cc([C@H](O)[C@H](C)[C@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC 169369714 QTIKNRHPPGSKAY-VFGMZZLHSA-N 404.459 3.695 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2nc[nH]c2c1 169694230 FIYRLTVVIGLPJJ-KNQAVFIVSA-N 402.498 3.599 0 1 HHAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(Br)ccc21 169722167 GMANSIMHEQVNLM-HNNXBMFYSA-N 407.195 3.809 0 1 HHAF CN1[C@@H](c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2NS1(=O)=O 205633912 VQIHIKQTSWPXMI-KRWDZBQOSA-N 409.389 3.825 0 1 HHAF CSc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 473135963 LXUDPVGIXLQHPN-SFHVURJKSA-N 423.567 3.688 0 1 HHAF CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586904393 UZDBHKCTKDNPBF-UHFFFAOYSA-N 411.483 3.559 0 1 HHAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(I)cnc(Cl)c2[nH]1 587087234 CDRNTPOTICPYLU-ZCFIWIBFSA-N 424.620 3.966 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587111344 AKTJXLUBIJUPDU-SFHVURJKSA-N 403.364 3.563 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 587201826 WZEMPAMXCBCJBH-UHFFFAOYSA-N 416.547 3.997 0 1 HHAF CCOC(=O)CNc1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587227798 XZHQJTSVLRDANW-UHFFFAOYSA-N 418.247 3.666 0 1 HHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Br)cnc(Cl)c3[nH]1)C2 587247231 NBVCHQGBGVDTAG-KRWDZBQOSA-N 407.699 3.725 0 1 HHAF COc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350941 SQNYZDQTQZOBQW-XXBNENTESA-N 405.381 3.746 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(I)c1)O2 587387445 ROFKNOURCOBXPY-QGZVFWFLSA-N 409.223 3.768 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 587390082 NQBWUKXCPIOMQX-AOLOFRBQSA-N 415.534 3.804 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(I)cccc1OC)[C@@H](C2)C3=O 587426371 CRTGIHJDOMFFQO-VOJFVSQTSA-N 422.218 3.797 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(N3CCOCC3)nc3ccccn13)CC2=O 587486430 BTPSMSDBYFXEIT-IBGZPJMESA-N 407.470 3.536 0 1 HHAF COC(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648275 BAWWHRJELNMJCF-UHFFFAOYSA-N 408.273 3.788 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(NN)c2ccccc12 587865703 FQOIPKVCWKSHGJ-UHFFFAOYSA-N 414.391 4.186 0 1 HHAF Fc1ccccc1Nc1nc2nonc2[nH]c1=Nc1ccc(OC(F)(F)F)cc1 1857597520 USGOXXLUNSXEOF-UHFFFAOYSA-N 406.299 3.960 0 1 HHAF COc1cc(N2CCC([C@H](O)Cn3ccc(C(F)(F)F)n3)CC2)ccc1Cl 1857620107 PFIZYZZSKHMEMT-OAHLLOKOSA-N 403.832 3.841 0 1 HHAF CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@H]4C(=O)N3CCCC3)nn2)cc1 2356823304 GLBJFCMBNKICCU-CEMLEFRQSA-N 421.589 3.575 0 1 HHAF CC(C)CCCCCCC[C@@]1(O)C=C[C@@H]2N(CCCCCNC(=N)N)CCCN21 2356849226 PUAXGUFEEOLOPY-FYYLOGMGSA-N 407.647 3.619 0 1 HHAF COC[C@H]1CCCCN1C(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 11874518 HCTBXGAUXMAYOL-LJQANCHMSA-N 404.551 3.588 0 3 HHAF CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(C3CC3)nn2)on1 199229498 ULGREZUOLBTCPZ-HNNXBMFYSA-N 406.490 3.693 0 3 HHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CC[C@@H](NC(C)=O)C3)C=C2C)o1 2356465257 LZLLDTMZEXELJT-DOIPELPJSA-N 402.583 3.630 0 1 HHAF Cc1cc(-c2ccccc2)nn1-c1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2)n1 103277062 HDVKXQHLTWYLGM-UHFFFAOYSA-N 419.872 3.697 0 1 HHAF CC(C)COC(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 61898558 YNUNUZPHEISVOL-INIZCTEOSA-N 415.446 3.975 0 3 HHAF CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(F)nn1-c1ncccc1Cl 29058787 JZDNIYZDUBXCRE-UHFFFAOYSA-N 422.247 3.634 0 1 HHAF COc1cccc(-n2c(=O)n([C@H](C)c3ccccc3)c3cnc(NC4CC4)nc32)c1 42890621 YVTRRGUYCMDLRM-OAHLLOKOSA-N 401.470 3.774 0 1 HHAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@@H](O)COc1ccc(Cl)cc1 40577066 LFAUYPKPYREPBD-QGZVFWFLSA-N 400.862 3.820 0 1 HHAF CCCN(Cc1ccc(CC)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40405006 DPPCGBXBXURNFM-QHCPKHFHSA-N 414.500 3.919 0 1 HHAF CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCNC(C)=O 82187592 ZDJDUPXNGSUPEQ-UHFFFAOYSA-N 412.513 3.660 0 1 HHAF CNc1nc2cnc(Nc3cccnc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 82083013 AWLQNHCCHZUABP-UHFFFAOYSA-N 406.446 3.627 0 3 HHAF O=C(O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCc2ccccc21 20463536 OINNFVBVNBDKNM-VXKWHMMOSA-N 406.526 3.621 0 1 HHAF biogenic COC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1[C@@]21N=C(N)N(C)O1 141019342 DFRNTCQKLKHICI-MTQWGCILSA-N 405.542 3.948 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@H]1CO 95877785 FGOUXSFKWLFYFE-AGILITTLSA-N 417.484 3.902 0 1 HHAF CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5c4CNC5)ccc32)no1 653835860 OGVPTEYDEAYDGG-UHFFFAOYSA-N 419.445 3.588 0 1 HHAF Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)c(O)cc1O 653664708 HSRXRPVIBOXEKS-UHFFFAOYSA-N 404.466 3.955 0 1 HHAF COc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1Cl 587201940 DHJFMOJBKGUWFM-OAHLLOKOSA-N 403.822 3.667 0 1 HHAF CCS(=O)(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201177 IWIDJBWURNVTKA-UHFFFAOYSA-N 409.552 3.937 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC(O)CC1 587237011 KLUGKLVKPIVKHE-UHFFFAOYSA-N 401.294 3.920 0 1 HHAF C[C@@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341205 IQWJHWGTLODZMV-GMAHTHKFSA-N 416.412 3.781 0 1 HHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 587189436 AKDXPACINRNPHJ-GFCCVEGCSA-N 403.533 3.887 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C4CCN(CC4)[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O 587437137 DJVCOAYXPTWZLN-SWHJIRTISA-N 405.494 3.527 0 1 HHAF CC(=O)N(c1ccccc1)c1nc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cs1 963030399 QTHWPZCLWVIMRP-OYHNWAKOSA-N 418.522 3.970 0 1 HHAF O=C1C[C@@H](c2c(F)cccc2Cl)C[C@]2(C1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962902755 SVRXTLNGJLMNDB-CECALHEMSA-N 405.828 3.949 0 1 HHAF CC(C)c1nn(C)c2c1[C@]1(CCN(Cc3ccccc3)C[C@H]1C(F)(F)F)NCC2 962916002 WJPOHDFGLIBYTC-WIYYLYMNSA-N 406.496 3.969 0 1 HHAF Nc1c([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc(Cl)nc1Cl 962661826 IDFNOTGAFNTAIK-UZLBHIALSA-N 417.296 3.707 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(C1(O)CCCCC1)N(C(=O)c1ccccc1N)CC2 963139889 IUGCWEAQZNCBDF-DEOSSOPVSA-N 424.541 3.895 0 1 HHAF COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 13486990 WYYRWPAVRAAIOL-UHFFFAOYSA-N 408.498 3.701 0 1 HHAF CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NC(=O)OCC)C(=O)O)cc2)c1 13488328 GLPMWXSWQDXHKX-IBGZPJMESA-N 413.474 3.627 0 1 HHAF CN1C(=O)[C@H](NC(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 13601592 PAUVCXBRYIWFTM-NRFANRHFSA-N 403.869 3.910 0 1 HHAF CCOC(=O)[C@@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 169691172 WNXAOOZWDQKMEO-FOYATCPTSA-N 411.889 3.777 0 1 HHAF O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 205229339 SYWUCFSBFUURBZ-FGZHOGPDSA-N 420.490 3.903 0 3 HHAF O=C(Nc1cnn2cccnc12)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2cc[nH]n2)cc1 1857588066 MJJOCVSZEMTHJQ-QZTJIDSGSA-N 414.469 3.747 0 1 HHAF COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCc3ccccc3)c2n1 4238564 QPLPFSZWBJAVGW-UHFFFAOYSA-N 411.465 3.597 0 1 HHAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC(C)(C)O2 5070792 ATOFNQUDVDAMHB-WIYYLYMNSA-N 412.530 3.588 0 1 HHAF Cn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3cc(F)cc(F)c3)nc21 13488578 JGJLDZVDEKKFGE-UHFFFAOYSA-N 416.338 3.804 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CC(=O)NC[C@H]1CCCO1)C2=O 13681834 XZCNEAJZTOZWJU-CNICMEMVSA-N 411.542 3.729 0 1 HHAF O=C(c1ccc(Cl)cc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 13782327 KFMCLPKVAOYFCH-UHFFFAOYSA-N 409.921 3.563 0 1 HHAF NCCc1c[nH]c2ccc(O)c([C@H](CN)c3c[nH]c4cc(Br)ccc34)c12 15253033 CYOQHWKPIREKQD-CQSZACIVSA-N 413.319 3.709 0 1 HHAF biogenic CC(C)CN1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 15672020 PKHBNGYRFBALDZ-DHIUTWEWSA-N 414.521 3.616 0 1 HHAF biogenic O=C(COc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232705 QKRJICYZQAKCQR-QUCCMNQESA-N 400.478 3.540 0 1 HHAF biogenic COc1ccc(CNc2nc(N3CCCC[C@@H]3CCO)nc3c2ncn3C(C)C)cc1 26470094 CMVUHWGCOHKPBG-GOSISDBHSA-N 424.549 3.769 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21 35969183 FCHGVOIDPLAAKF-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF CC[C@@]1(S(=O)(=O)c2ccc(Cl)cc2)C[C@H](CO)Oc2c(F)ccc(F)c21 49124813 FZYSHOYLPJWVPZ-KZULUSFZSA-N 402.846 3.841 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](CO)COCc2ccccc2)cs1 82074342 DFRQQMQWKVUXAK-KRWDZBQOSA-N 412.511 3.516 0 1 HHAF CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 100640553 WHOYCZAZHQFDDJ-XQFWAAQXSA-N 401.572 3.564 0 1 HHAF COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1nc(C(=O)O)co1 143192391 RPLSJLRAIMAEEB-UHFFFAOYSA-N 424.344 3.508 0 1 HHAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)c1cccc(C(F)(F)F)c1 169343966 KPQLEVDGDHCTBX-UHFFFAOYSA-N 416.447 3.692 0 1 HHAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 201565677 CNHYPTUQKCVBLK-OAHLLOKOSA-N 423.387 3.739 0 1 HHAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@H](O)C(C)C)n1 207202686 QPONSQWOQBWVEK-WHSLLNHNSA-N 417.517 3.521 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586973969 SNLUHMFARGLJIZ-QFIPXVFZSA-N 424.570 3.506 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2cc(Br)ncc2[nH]1)C(F)(F)F 587091307 CZSOSSADCNAHJM-HNNXBMFYSA-N 415.213 3.884 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587202682 KLYQKHNNEYLAKD-ZDUSSCGKSA-N 423.347 3.904 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2cc1OC 587202942 ITMJIRBACOVOCH-UHFFFAOYSA-N 424.457 3.875 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587203021 MOWRDDRFUFUSMX-LLVKDONJSA-N 409.229 3.707 0 1 HHAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 587349690 VLGCLKWYSWMYFM-AUSIDOKSSA-N 418.380 3.747 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCc2scnc2C)c2ccccc21 587413161 NAWMBDHURDJYAG-HSZRJFAPSA-N 419.506 3.792 0 1 HHAF CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423372 IVYYTXAFPUBYPV-LRTDBIEQSA-N 406.356 3.709 0 1 HHAF COC(=O)c1csc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963175826 BZTXBGWXEUWGKC-YGRLFVJLSA-N 419.808 3.895 0 1 HHAF O=C1CC(NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772577300 OIENZXRGKFGBHE-UHFFFAOYSA-N 401.344 3.902 0 1 HHAF C[n+]1ccn([C@@H](Cn2cnc3ccc(Cl)cc3c2=O)c2cc3ccccc3o2)c1 1857547988 WLOQPVWCDDNXNU-IBGZPJMESA-N 405.865 3.712 0 1 HHAF CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](C(C)(C)C)[C@H]1CCCO 12487700 KKBCFDFOYKJOPF-ZMPRRUGASA-N 415.534 3.507 0 3 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4207601 FFKIVJFCPGMJIR-SFNKJDCFSA-N 404.919 3.913 0 1 HHAF CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 103766397 MWLHLHGTQWVLGE-NXXSPTCGSA-N 402.516 3.591 0 3 HHAF COC(=O)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)o2)cc1 27322869 BJVOOZWUOSQCHT-UHFFFAOYSA-N 420.425 3.976 0 1 HHAF CC(C)[C@@H](O)Nc1nc(Nc2ccc(-c3cncnc3)cc2)c2ncn(C(C)C)c2n1 103197174 FHDFIUFWMGMGTR-OAQYLSRUSA-N 418.505 3.994 0 1 HHAF CC(C)=C[C@@H]1OC(=O)C(=CCCC(C)=CCCC(C)=CCOC(=O)C[C@@H](C)O)[C@H]1O 2356527538 DXDOQWITBDCYOY-UNWVZKJWSA-N 420.546 3.932 0 1 HHAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1 28893199 DIMAAAZZSSXDEH-DFBJGRDBSA-N 410.558 3.762 0 1 HHAF CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 35901652 KCXIRBPGJVWKSU-UQNNOOFXSA-N 416.573 3.849 0 3 HHAF CCCCNC(=O)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 199395875 ZGRQTDGAGWVRHK-KRWDZBQOSA-N 406.404 3.603 0 3 HHAF Nc1ccccc1NC(=O)CCCCCC(=O)Nc1cncc(Br)c1 221228313 HQEUULXWRNPRBE-UHFFFAOYSA-N 405.296 3.954 0 1 HHAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2nc(C)c(C)s2)c1 82173353 QDUIKVNXSFEKIE-KRWDZBQOSA-N 407.543 3.894 0 1 HHAF c1ccc(-n2cc(-c3ccnc4cc(OCCN5CCOCC5)ccc34)cn2)cc1 84619629 BXCQZSGOHLPFBD-UHFFFAOYSA-N 400.482 3.799 0 1 HHAF O=C(Cc1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 95794445 RHZUTBZLLWDGDK-QFZRFWILSA-N 403.526 3.958 0 1 HHAF Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(N)=O 95561786 DEACCKDWGGULGI-UHFFFAOYSA-N 422.488 3.860 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255287456 ZODJZVRYUQWYON-ZOBVQJGZSA-N 422.606 3.537 0 1 HHAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O 621442485 YRKXIWBDSZTCJM-SOLBZPMBSA-N 404.514 3.943 0 1 HHAF O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 653883198 YCKOJEXQUBDOSS-UHFFFAOYSA-N 419.409 3.665 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2nccn2C)N1 587757850 WCHJJHAISLLYAL-HXPMCKFVSA-N 401.283 3.543 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 587413204 QYEXMXJCZFJAJP-BJKOFHAPSA-N 417.417 3.709 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c(Cl)cc12 587569697 IVUYGWPYLCOVEO-DYESRHJHSA-N 411.772 3.994 0 1 HHAF COC(=O)c1ccc(-n2c(O)ccc2OCCc2ccccc2)c(O[C@@H]2CCOC2)c1 587924842 LFZFDUNFBGEZFQ-LJQANCHMSA-N 423.465 3.759 0 1 HHAF N[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(F)cc1F 587152021 XYOXACGHNQFIPJ-VIFPVBQESA-N 420.588 3.542 0 1 HHAF Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N(C)C)n1 587552850 SWBLDTLBHJTKFH-BEFAXECRSA-N 411.845 3.913 0 1 HHAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1 587147049 CLCLMGQJRWGKAY-UHFFFAOYSA-N 412.402 3.527 0 1 HHAF COC(=O)COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587791362 HRZLNKNRVYFBMP-WLRWDXFRSA-N 408.267 3.764 0 1 HHAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 586945999 FHVQSEUGAOMFJB-SFHVURJKSA-N 407.495 3.840 0 1 HHAF CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)ccc21 587595090 OPPLXXYBKGCCTI-HYBUGGRVSA-N 401.418 3.924 0 1 HHAF CN1C(=O)C[C@H]2CN[C@](C)(COc3ccccc3Br)c3cccc1c32 963018615 DKNIXYSVMBRGOY-RNODOKPDSA-N 401.304 3.797 0 1 HHAF CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963221836 FVRASWIJUFFQHW-TZIWHRDSSA-N 415.449 3.581 0 1 HHAF COCCOc1ccc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962731254 QVYQMEBGVNGSGO-LAUBAEHRSA-N 423.431 3.630 0 1 HHAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@H]1CC=C[C@H](C)O1 1772657156 DHKVZDFNSDUEAS-SUMWQHHRSA-N 414.506 3.955 0 1 HHAF Nc1cccc(C(=O)NC/C=C/CN2CCN(c3cccc(Cl)c3Cl)CC2)c1 13608809 FWYMLODBNSUZMM-OWOJBTEDSA-N 419.356 3.684 0 1 HHAF Oc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1C(F)(F)F 168802720 TYHGWXWAGDMIBK-UHFFFAOYSA-N 405.311 3.907 0 1 HHAF Cc1nnc2n1-c1ccc(NS(C)(=O)=O)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857576217 HMWRGWCLFBYMFH-KRWDZBQOSA-N 417.922 3.700 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 768671 WOYKHZCECIULNJ-FPOVZHCZSA-N 414.889 3.689 0 1 HHAF CCCCc1nc(CCCC)n(Cc2ccc(-n3ccc(-c4nnn[nH]4)c3)cc2)n1 1534281 VWUKLMGXDYHBSN-UHFFFAOYSA-N 404.522 3.982 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@@]21C 26391164 SZDSCLOAPYDVBU-WZRMNVDVSA-N 402.579 3.513 0 1 HHAF CN(C)C1=C(Nc2cccc(I)c2)C(=O)c2ccccc2C1=O 27548803 IEQGJYWXWLJALL-UHFFFAOYSA-N 418.234 3.556 0 1 HHAF CO[C@]1(c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(C)cc3)n2)CCCO1 28457459 XMAKNORZQOWEMY-JOCHJYFZSA-N 412.511 3.861 0 1 HHAF COc1ccc(CCN2C=CC=C3C2=Nc2cc(C)ccc2N(C)S3(=O)=O)cc1 28638510 BYKNQUGDZGLOLY-UHFFFAOYSA-N 409.511 3.769 0 1 HHAF NC(=O)c1ccc2[nH]c(-c3ccc(O[C@H]4CCN(Cc5ccccc5)C4)cc3)nc2c1 28959919 BOTRTLWNSISBAE-NRFANRHFSA-N 412.493 3.982 0 1 HHAF Cc1nc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)cc(C(C)(C)C)n1 64528249 JVJNRJFMZQRGMT-UHFFFAOYSA-N 423.605 3.641 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82139715 GBEXKRDBOKMTFT-UHFFFAOYSA-N 420.444 3.763 0 1 HHAF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)sc1C 82175726 HCNMWEJXKHFOGP-AWEZNQCLSA-N 411.506 3.725 0 1 HHAF COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccccc2)cc1 95893633 ZXOBBKUOKCACCL-CCDWMCETSA-N 414.505 3.685 0 1 HHAF Fc1ccc(-c2nn(CCCN3CCN(Cc4ccccc4)CC3)c(=S)[nH]2)cc1 96934126 MBWIEUHVEWLMTN-UHFFFAOYSA-N 411.550 3.955 0 1 HHAF CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 101613554 QFJACOUEVLILBV-TVVJMEDVSA-N 409.548 3.958 0 1 HHAF Cc1nn(C(C)C)cc1S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 103241028 SBCHODWPUGCDPR-VQTJNVASSA-N 424.526 3.742 0 1 HHAF Cc1nc(N[C@@H](C)c2cccc(OCC(N)=O)c2)cc(-c2cc3ccccc3n2C)n1 141802214 SMCXZNIJFXPFPA-HNNXBMFYSA-N 415.497 3.981 0 1 HHAF C[C@@]1(c2cc(NC(=O)c3cnc(-c4ccco4)cn3)ccc2F)CCSC(N)=N1 146089500 DDUHVQZYSCUFKU-FQEVSTJZSA-N 411.462 3.795 0 1 HHAF CNC(=O)COc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 205833177 LEVDDNIXNLXBJO-HNNXBMFYSA-N 406.486 3.759 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299885530 VPPKJWXDEGCYER-URLVKDPJSA-N 408.498 3.597 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@H]2CCCC[C@H]21 586962274 WFIGMHRETLDWNO-YUELXQCFSA-N 417.922 3.652 0 1 HHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587052890 ROJLSOZZENTHTE-LLVKDONJSA-N 410.655 3.625 0 1 HHAF CC(C)OC(=O)C1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC(F)(F)C1 587130113 FAWOORQICIZZPS-UHFFFAOYSA-N 417.206 3.642 0 1 HHAF COC(=O)c1cccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 587258744 RSODZGZPXUXHBX-SFHVURJKSA-N 402.454 3.921 0 1 HHAF CC1(C)Cc2ncnc(N)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587338814 RSULNGZCWFBEBW-YADARESESA-N 419.456 4.130 0 1 HHAF COc1ccc([C@@]2(c3ccccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587440759 CMPXJKMYMZXKNJ-HOYKHHGWSA-N 404.418 3.806 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1nc[nH]n1 587567751 BQDRDUCXNVRMFR-XMSQKQJNSA-N 403.369 3.555 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(F)cc2)n1 587573781 XOLJYQDXSNTCLW-UGKGYDQZSA-N 403.369 3.815 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1O 587595048 OEYRBXFTFFRJJA-QPPBQGQZSA-N 419.433 3.637 0 1 HHAF Nc1c(Cl)c(Cl)nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Cl 587651703 OCUSQQJBIZAASY-UHFFFAOYSA-N 404.040 3.676 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cncn3)cc2)N1 587762176 XKGGPNDJXLDCOO-BLVKFPJESA-N 401.283 3.967 0 1 HHAF O=S(=O)(Nc1ccccn1)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587876625 URTIAGBKAKVMHX-UHFFFAOYSA-N 409.402 3.375 0 1 HHAF Nc1ccc(-n2ccc(=O)c3c(=O)n(CC4CC=CC4)ccc32)cc1C(F)(F)F 653858597 BODDRLVQYLCOLZ-UHFFFAOYSA-N 401.388 3.720 0 1 HHAF C[C@@]1(c2cnn3ccccc23)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921149 AOPBEDFDROPEQZ-XUZZJYLKSA-N 415.449 3.695 0 1 HHAF c1ccc([C@@]2(c3ccc(C4OCCO4)s3)NCCc3nc4ccccn4c32)cc1 962981273 FWLWBOHCCWJTCR-QHCPKHFHSA-N 403.507 3.879 0 1 HHAF C[C@H]1CCCN(c2nc(O)c(-c3nc4ccccc4s3)c(N[C@@H]3CCCNC3)n2)C1 1772592966 OTOVRTZJSLEATH-LSDHHAIUSA-N 424.574 3.859 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@H]1CCCCN1Cc1ccccc1)C2 1772620024 WOXSRYRINRYFSJ-TZIWHRDSSA-N 423.509 3.657 0 1 HHAF NC(=S)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccc(Cl)cc1 1857573366 IPAXZZYKPBSUGH-LJQANCHMSA-N 400.935 3.571 0 1 HHAF NC(=O)NCc1ccc2c(-c3cccc(C(N)=S)c3)cn(CC(CF)CF)c2c1 1857580090 FVMBTCTWLHITAI-UHFFFAOYSA-N 416.497 3.666 0 1 HHAF CNC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1 1857600228 HVEJAZJAGAQBRR-UHFFFAOYSA-N 400.910 3.860 0 1 HHAF Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)c2cc3sccc3n12 1857631136 WWNHYPUOCZCHEK-UHFFFAOYSA-N 423.567 3.693 0 1 HHAF CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(N3CCOCC3)cc21 1857748395 MXARILGPOFKXMO-UHFFFAOYSA-N 419.525 3.568 0 1 HHAF COc1ccc(OC[C@H]2c3cnn(C)c3CCN2C(=O)c2cccc(Cl)c2)cc1 1911582152 IPXDISVBOWEWKA-NRFANRHFSA-N 411.889 3.901 0 1 HHAF COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4cc[nH]c4c3)C[C@H]2C)c(F)c1 1911586871 WTXZRSDVMFYIFC-HUUCEWRRSA-N 409.461 3.691 0 1 HHAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c3c(oc12)[C@H](O)[C@@H](O)CC3 2356773919 MICREMKKPHNKKJ-XMELDAASSA-N 411.498 3.931 0 1 HHAF COC(=O)[C@]1(O)C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 206047019 FTJWBJRBELSSHH-TZBSWOFLSA-N 419.452 3.933 0 3 HHAF CC[C@@H](C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 2457845 MXWAGIBJADLENW-BLVKFPJESA-N 418.291 3.561 0 1 HHAF Cc1[nH]c(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c(C)c1C(=O)NC1CCCCC1 5135786 IHSSYAPVKUCVHV-IRXDYDNUSA-N 416.610 3.792 0 1 HHAF O=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)ns2)CC1 35983825 FXEXASVEXQCUMU-UHFFFAOYSA-N 406.471 3.700 0 1 HHAF O=C1NC[C@H](c2ccccc2)C12CCN([C@H]1CCCC[C@]1(O)c1cccc(F)c1)CC2 38147504 VTESATXDAMBSLY-UMFSSWHCSA-N 422.544 3.952 0 1 HHAF O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2c(=O)n(CCO)ccc12 43121301 HGCBZJDOYPMNEY-UHFFFAOYSA-N 424.806 3.847 0 1 HHAF COc1cc2nc(N3CCc4ccccc4C3)nc(NC[C@H]3CCCO3)c2cc1OC 82119688 LFEOTSUNBLVJHZ-GOSISDBHSA-N 420.513 3.801 0 1 HHAF CCCCCc1ccc(C(=O)Nc2cccc3c(=O)cc(-c4nn[nH]n4)oc23)cc1 100692446 JHKJAWIANIFNJV-UHFFFAOYSA-N 403.442 3.958 0 1 HHAF CC(C)COc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N 117395886 AXKWKVCOTZWOKV-NRFANRHFSA-N 418.497 3.879 0 1 HHAF Cn1ncc2cc(Nc3nccc(N(CCCO)c4cccc5[nH]ncc45)n3)ccc21 139779366 VKBDFJNINXDOJC-UHFFFAOYSA-N 414.473 3.504 0 1 HHAF in-vitro CC(C)CCNC(=O)c1ccc(-c2cnc3ccc(N[C@H]4CC[C@@H](N)CC4)nn23)cc1 145741719 LYIGWUGNKUAXRL-MXVIHJGJSA-N 420.561 3.854 0 1 HHAF COc1cc([C@H](O)[C@@H](C)[C@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC 169369717 QTIKNRHPPGSKAY-MTJIALIYSA-N 404.459 3.695 0 1 HHAF COc1ccc(OC)c([C@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@@H]32)c1 169689081 VQGLTDOEKNJEPX-XZOQPEGZSA-N 419.481 3.919 0 1 HHAF COc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1F 586969455 KZRAZNJUZZJZEH-UHFFFAOYSA-N 400.391 3.782 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587016732 BMNZBYJFUMMHRH-UHFFFAOYSA-N 419.919 3.652 0 1 HHAF Cc1c(Br)cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 587085386 VHCCZJIVAZXBTI-UHFFFAOYSA-N 407.703 3.856 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)O2 587388728 GHEJFULLMQSYMP-PEBXRYMYSA-N 404.507 3.621 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)NC(C)C)c4ccccc14)[C@@H](C2)C3=O 587429756 CRGQTZGVHSGPPT-XDHUDOTRSA-N 404.466 3.663 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc3c(cc12)OCCO3 587606847 FHCNHNMCJYWNBA-XUZZJYLKSA-N 402.402 3.967 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587806115 JENNPNVFZQTFCY-PJFOTGOESA-N 404.279 3.831 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 587826192 DDRISNDBKVMGAN-NSPYISDASA-N 424.266 3.747 0 1 HHAF Cc1c([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cnn1-c1ccc(F)cc1F 963037858 WHPIMXCTFKDMHY-QKFKETGDSA-N 408.452 3.776 0 1 HHAF Cc1cccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(NCC5CCCCC5)ncnc43)C2)n1 1772600058 IORBEYRNTKWGRM-HDICACEKSA-N 419.533 3.655 0 1 HHAF COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccco2)C4)c1 1772629203 VIKTUWSXLKJYEX-INIZCTEOSA-N 421.522 3.755 0 1 HHAF O=C(/C=C/c1ccc(O)cc1)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 1857753951 RPQDGHFXKHJVSM-NTCAYCPXSA-N 401.510 3.873 0 1 HHAF COc1cc(C[C@H](C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OC 2356490052 VGUAMWQXVLMWPW-HNNXBMFYSA-N 418.486 3.745 0 1 HHAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356687452 QHOWASXKMOHCHB-DPLHUUCSSA-N 400.563 3.822 0 1 HHAF O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199719833 ZOLYDVWINROCTI-QGZVFWFLSA-N 415.877 3.772 0 3 HHAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1 28893192 DIMAAAZZSSXDEH-UQBPGWFLSA-N 410.558 3.762 0 1 HHAF CC(C)(C)NC[C@@H](O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 29341204 YOXGXUWJLIFMFN-HXUWFJFHSA-N 405.510 3.592 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(N[C@@H]3CCCNC3)cc12 35285095 BXTSSVZPGLGHJO-QGZVFWFLSA-N 406.511 3.713 0 1 HHAF C[C@H](CNC1CCN(CCn2c(=O)ccc3ccc(F)cc32)CC1)c1ccccc1 45167338 GEVHPBWKLDIKTR-LJQANCHMSA-N 407.533 3.998 0 1 HHAF CCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 73198786 MYRBEESOULJTOW-WARJXXDVSA-N 423.600 3.844 0 1 HHAF CC(=O)[C@@H](O)[C@@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@@H]1O 101694245 QWSRTOLIHWJYKS-OAOSVCDQSA-N 420.546 3.524 0 1 HHAF CC(C)[C@H](O)Nc1nc(Nc2cccc(-c3ncccn3)c2)c2ncn(C(C)C)c2n1 103185610 CIDXXRSLUUUBDG-NRFANRHFSA-N 418.505 3.994 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CCS(=O)(=O)C3)nn2-c2ccccc2)c1 169707235 KLKVBEDNQAMUSH-LJQANCHMSA-N 423.538 3.865 0 1 HHAF CC1=N[C@]2(C[C@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N 169708657 IBGZXUPONLUVLS-SMNXXWJPSA-N 406.324 3.790 0 1 HHAF Cc1ccc(-c2noc([C@H]3CCC(=O)C3)n2)cc1NC(=O)c1cnc2ccccn12 206101299 CMKHFELGXWLQSX-HNNXBMFYSA-N 401.426 3.782 0 1 HHAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CC[C@@H](C)C3 206142987 LNJYGCAFEIECPH-ADLMAVQZSA-N 408.458 3.701 0 1 HHAF C[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590803 AUIGINFSSDAMMO-NFBKMPQASA-N 406.390 3.733 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 587726059 UAHIPDOKSJZIIP-RBHXEPJQSA-N 400.194 3.729 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccoc3)CC2)N1 587768866 MXVDWIFPSMITBJ-GFCCVEGCSA-N 407.283 3.847 0 1 HHAF CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1=O 587791636 MHJOUUXJKFIYHM-JJFKOLPGSA-N 422.342 3.553 0 1 HHAF CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618012424 FBJWOURZFOUGCH-UHFFFAOYSA-N 417.601 3.641 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@@](C)(COc3ccccc3Br)c3cccc1c32 963018619 DKNIXYSVMBRGOY-XCLFUZPHSA-N 401.304 3.797 0 1 HHAF Cc1ccc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)nc1 1772569814 JMCZUXKBUQBLNN-UHFFFAOYSA-N 402.458 3.914 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@@H]2CCCOC2)cc1F 1772614091 CUKXCYUCHNHBBC-JTQLQIEISA-N 405.904 3.575 0 1 HHAF Cc1ccc(CN2CC[C@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 1772628110 HKJQOALDDUBRBV-RTWAWAEBSA-N 400.469 3.926 0 1 HHAF O=C(O)C=C1NN(Cc2nc3cc(C(F)(F)F)ccc3s2)C(=O)c2ccccc21 1857538819 KODQZSCTFAQIRL-UHFFFAOYSA-N 419.384 3.901 0 1 HHAF Cc1nc2cccc(Cl)n2c1C(=O)NCCOc1ccc(Br)cc1 1857604141 FWHNDIIOHQMAMA-UHFFFAOYSA-N 408.683 3.867 0 1 HHAF O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)C=Cc2ccccc2)CCC=CN1 2356589119 AORCSZCLPCSPAQ-QHCPKHFHSA-N 403.526 3.673 0 1 HHAF O=C(CC[C@H]1CCCN(C(=O)CCC(F)(F)F)C1)NCc1ccc(F)c(F)c1 12452985 ILBLZOXWNAVVQB-CYBMUJFWSA-N 406.395 3.942 0 3 HHAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(F)cc21 206035124 NYBDXLVGQXLYBT-LJQANCHMSA-N 413.836 3.989 0 3 HHAF CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCO)nn2-c2ccc(Cl)cc2)cc1 13560538 HBQDTXFPAQTMES-UHFFFAOYSA-N 418.902 3.551 0 1 HHAF COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)=O)n2)n1)OC 14588205 FJJCCBLQMQQDDM-ZYGFODGBSA-N 422.528 3.837 0 1 HHAF C=CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)N2C1=S 16028393 UDVMTDCIAPQHNE-CTNGQTDRSA-N 403.507 3.806 0 1 HHAF biogenic COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3c2ncn3C(C)C)cc1 26399709 HSPYKVSQTSUETE-UHFFFAOYSA-N 410.522 3.745 0 1 HHAF COc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc3c2=O)cc1OC 26579931 BKOYLDONVIPMFF-UHFFFAOYSA-N 421.474 3.923 0 1 HHAF C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1cccc(C(=O)c2ccccc2)c1 29135017 WPJSPPIENFHKJO-HTAPYJJXSA-N 401.462 3.833 0 1 HHAF O=C(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1cccc(F)c1 40953937 DMRYSONGBKCOGI-UHFFFAOYSA-N 403.501 3.828 0 1 HHAF NC(=O)[C@@H](c1ccccc1)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O 73417717 SSDLBZQFEZMGGA-FQEVSTJZSA-N 403.869 3.715 0 1 HHAF CCOc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NCC(C)C)n2)cc1 82195878 GZRAUBCJUVWUMR-SFHVURJKSA-N 413.547 3.727 0 1 HHAF OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 95874613 OCNSDTKZVINVFB-ZNZIZOMTSA-N 414.553 3.568 0 1 HHAF NC1CCC(Nc2nc(Nc3cccc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1 95920719 VWACYUAZKMPNOH-UHFFFAOYSA-N 418.423 3.762 0 1 HHAF in-vitro COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)cc(OC)c1 100106708 IBUGMZNJZNREHW-LNWKWYTESA-N 401.510 3.706 0 1 HHAF COc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3C)C2)ccc1-n1cnc(C)c1 103225488 ZVAARPORUXUYCT-QFIPXVFZSA-N 418.541 3.892 0 1 HHAF CC(C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(F)cc2F)CC1 144515051 POQVINGNYFSKHL-UHFFFAOYSA-N 400.433 3.566 0 1 HHAF CC1=Nc2nc(CCCO)nn2[C@H](c2cccc(C)c2)[C@@H]1C(=O)Nc1ccc(F)cc1 169687786 JDEGATQTPCXFFU-NHCUHLMSSA-N 421.476 3.601 0 1 HHAF C[C@H]1c2nnn(-c3ccn[nH]3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225996906 UODYYRBVDYRVGB-VIFPVBQESA-N 408.771 3.850 0 1 HHAF CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccc(F)cc2F)n1 299827945 QLCQTZPTQHTIKL-UHFFFAOYSA-N 405.474 3.675 0 1 HHAF COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccco5)c(=O)n4n3)ccc2c1 299856004 BLHYPCIPPABVJS-QXGSTRBFSA-N 403.463 3.605 0 1 HHAF Cc1cccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 473162862 VMAMWBMNGYEDOC-MBOZVWFJSA-N 404.470 3.821 0 1 HHAF Cc1c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905711 ZQWZDMOOZCLNSU-LBPRGKRZSA-N 400.378 3.795 0 1 HHAF CCS(=O)(=O)c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 586922836 SYGQJYZSSQXBJL-UHFFFAOYSA-N 400.685 3.834 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 586930479 FMOZNAZKJKWBFW-UHFFFAOYSA-N 413.890 3.758 0 1 HHAF COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1OC 586986023 ULLIPEUKNUJPJQ-CQSZACIVSA-N 418.291 3.763 0 1 HHAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065119 UGESSDGDELDCGT-UHFFFAOYSA-N 403.847 3.703 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 587171627 QOTIDROSHPJLSM-UHFFFAOYSA-N 421.222 3.708 0 1 HHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587190747 NBPSRYHUTPESED-GOSISDBHSA-N 415.515 3.923 0 1 HHAF C[C@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344220 WMJNNINLCPUMSC-JTHBVZDNSA-N 416.412 3.781 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN4CCSCC4)c1)[C@@H](C2)C3=O 587454708 ZVKGAQWZSUGCEB-MBSDFSHPSA-N 411.523 3.741 0 1 HHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 587486817 LSQJHSMVECRKNE-RTBURBONSA-N 407.510 3.827 0 1 HHAF CC(=O)N1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587513361 JIEHQVGQTRCRQV-DEOSSOPVSA-N 404.510 3.940 0 1 HHAF O=C1C[C@@]2(CCN(Cc3ccccc3)C[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587517882 WSFOJQUKINRTTR-SQJMNOBHSA-N 405.494 3.876 0 1 HHAF CC(C)(C)C(=O)NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587659000 XUTLKETXHCYCBZ-UHFFFAOYSA-N 401.438 3.637 0 1 HHAF CCC1=C(C)N[C@@H]2N(CCC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1=O 587790505 IJULAOHPKOWLQU-LDZBWSAGSA-N 422.342 3.553 0 1 HHAF O=S(=O)(c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1)N1CCOCC1 587970082 YKSJZSNHPOMTLU-FLIBITNWSA-N 419.506 3.907 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H]([C@H]2N[C@@H]2c2ccccc2)N1 962930039 VRAWLGUGLHWETL-BJESRGMDSA-N 402.450 3.538 0 1 HHAF CCOC(=O)C[C@@]1(CC2CCCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962962961 IBKHPJOMMRWLDZ-FOIQADDNSA-N 415.864 3.946 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)nc2)(c2ccccn2)N1 963238733 WFPQROLYZKGSKS-XXBNENTESA-N 416.868 3.569 0 1 HHAF COc1ccc(CNC(=O)[C@@H]2CCC3=Nc4ccc(Br)cc4CN32)cc1 1857767440 MLQRZLQYHMDPFE-SFHVURJKSA-N 414.303 3.782 0 1 HHAF CC1=C[C@H](CNC(=O)c2ccco2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356438758 RHTRCBYVLGLHFF-QKNQBKEWSA-N 409.530 3.966 0 1 HHAF CC=C1C([C@]2(C)CCCC(C)(C)C2)=C[C@H](O)[C@@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@H]12 2356480011 MHDUGZBUXWJHKW-ZJJXDXEASA-N 406.519 3.881 0 1 HHAF COC(=O)C=C(C)CCC=C[C@H](C)CC[C@@H]1CCC[C@](O)([C@H]2CSC(=O)N2)O1 2356690493 ZDGSZBCCKDDREV-DZKDUJFISA-N 411.564 3.941 0 1 HHAF CS(=O)(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)c1 61926078 AASFORNMXKPXDV-UHFFFAOYSA-N 424.457 3.747 0 3 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 790220 FWQGDYVCKLORLK-UANDARTESA-N 424.516 3.637 0 1 HHAF Cc1c(N2CC[C@H](c3ccccn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3646681 HINKRPOWVCYAFN-HNNXBMFYSA-N 407.445 3.712 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCOC)cc1 4055375 SXCJTSCDBSVKAS-CTNGQTDRSA-N 416.905 3.983 0 1 HHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1=O 4214882 QSGDKFLHDYLECJ-VQTJNVASSA-N 405.564 3.891 0 1 HHAF CCc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC 8609246 WTHYTHZMISHIIC-LJQANCHMSA-N 412.486 3.961 0 1 HHAF N[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1cccc(C(F)(F)F)c1 14961804 OZPLURSGGRWIKB-KRWDZBQOSA-N 413.403 3.988 0 1 HHAF O=C1Nc2cc(CN3CCOCC3)ccc2CN1c1csc(-c2ccncc2)n1 14974693 KCGZOQMFGRRYKH-UHFFFAOYSA-N 407.499 3.589 0 1 HHAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccc(O)cc2)c1 29038787 DBABKKXPOIODOB-UHFFFAOYSA-N 404.538 3.959 0 1 HHAF CCc1nc(Cl)c(C2C(C(=O)OC(C)C)=C(C)NC(C)=C2C(=O)OC(C)C)[nH]1 35932987 SERZMIBFWOLERQ-UHFFFAOYSA-N 409.914 3.764 0 1 HHAF COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1 70459603 UCLCHQPCYQKOKG-OAQYLSRUSA-N 407.495 3.698 0 1 HHAF CC(=O)/N=c1/[nH]c2ccc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)cc2[nH]1 71316384 TVPKYNGLBFIPEN-UHFFFAOYSA-N 406.273 3.614 0 1 HHAF O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1 73163202 FWKOPGKTNBSLLV-UHFFFAOYSA-N 408.574 3.827 0 1 HHAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccccc2F)C1 82151810 JOTVLIMQDXLJMN-CVEARBPZSA-N 400.498 3.992 0 1 HHAF COc1ccc2c(ccn2S(=O)(=O)c2ccc(F)c(NC3CCN(C)CC3)c2)c1 95579116 QHHOFRPWVXXHHJ-UHFFFAOYSA-N 417.506 3.532 0 1 HHAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 95580368 DMJAZWLPFLIXLF-HXUWFJFHSA-N 414.933 3.605 0 1 HHAF COc1cccc(C(=O)Nc2nc3ccc4nc(NCCO)sc4c3s2)c1 96929307 UKLDXAXMTHSOFX-UHFFFAOYSA-N 400.485 3.571 0 1 HHAF O=c1c(N2CCNCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 114710899 KRABXGHYYAXDLP-UHFFFAOYSA-N 423.605 3.556 0 1 HHAF COC(=O)[C@@H]1CCc2cc(Nc3nc(C)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2N1 203005092 VYSYZZKSGBFAGS-KRWDZBQOSA-N 419.489 3.772 0 1 HHAF N#Cc1cccnc1Oc1ccc(F)c([C@]2(CF)C[C@@H](C(F)(F)F)OC(N)=N2)c1 223560701 AUNCNQOOBYHNQN-WMLDXEAASA-N 412.318 3.715 0 1 HHAF COC1=C(OC)[C@@H](OC)[C@@H]2C(=C1)[C@H]1O[C@@H](c3cc4c(c(OC)c32)OCO4)[C@H](C)[C@@H]1C 238733036 CFKXMCHMUWMKDV-BXELPFQJSA-N 416.470 3.693 0 1 HHAF COc1ccnc(-c2nnc3n2C[C@H](C)N(C(=O)c2cccc(Cl)c2Cl)C3)c1 474608617 MULCYNKNDJVWBS-NSHDSACASA-N 418.284 3.700 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nccc2[nH]1 586937984 SXVSEXFRGREAMD-MRXNPFEDSA-N 404.561 3.656 0 1 HHAF NC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024532 BEZIAGWNDWDRAN-ZMYBRWDISA-N 408.527 3.798 0 1 HHAF CC1=C(c2ccc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)NNC(=O)C1 587075607 FNMFVQXNGAJHPP-SFHVURJKSA-N 407.861 3.589 0 1 HHAF CN1CCN(c2ccc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3c2)CC1 587116077 MPSYXTPOQVZHMV-UHFFFAOYSA-N 412.419 3.944 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742390 RCRXGZYCYWWNAZ-FKIZINRSSA-N 421.310 3.679 0 1 HHAF CCOC(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772900 PONJJGADVMNZAY-BUXKBTBVSA-N 407.283 3.714 0 1 HHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587786525 REOFUTCXMYXACH-CHWSQXEVSA-N 419.222 3.506 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2COC(=O)C2)N1 587833315 FVNRLEGAUMDVTQ-UFAGZECESA-N 404.279 3.929 0 1 HHAF CC[C@@]1(c2ccc(I)cc2)c2ccsc2CCN1C(N)=O 962719486 WVCUZEUTJSCGNF-MRXNPFEDSA-N 412.296 3.943 0 1 HHAF COc1ccc(OCC(=O)NC2CC2)c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963090173 IGWWTXXCDZLZCK-BXKMTCNYSA-N 410.489 3.602 0 1 HHAF O=C(O)c1cccc2c1CCN[C@@]21CCOc2c(Cl)cc(Br)cc21 963131678 NLYFBYGEYAQQJK-SFHVURJKSA-N 408.679 3.973 0 1 HHAF CC1=CC[C@@H](c2onc(C(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2C)OC1 1772634316 MXLPXKIENJVXBU-KRWDZBQOSA-N 414.506 3.957 0 1 HHAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3Cc3nccs3)Oc3ccccc32)cc1 2356317571 CKNVJPSGGCIWEU-AZUAARDMSA-N 421.522 3.720 0 1 HHAF COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 36384277 PRMNZAZXZJTKCW-HNAYVOBHSA-N 404.457 3.980 0 3 HHAF CCc1oc(-c2ccc(OC)cc2)c(C(=O)OCCCCCO)c1[C@@H](C)OCCO 95604288 OPEWOUHUXFENJN-MRXNPFEDSA-N 420.502 3.907 0 3 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F 790168 ICAQLNUIBNJXDJ-PFIJPAEBSA-N 424.516 3.637 0 1 HHAF CC(C)N1CC(=O)N2[C@@H](c3cccc(Cl)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 5977064 AEICBSNLQJQYRV-KNQAVFIVSA-N 407.901 3.915 0 1 HHAF biogenic COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cc3ccccc3cc2C1=O 13757425 CRCKHUCOOURRKN-IBGZPJMESA-N 419.433 3.757 0 1 HHAF C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)C=C(C)C)[C@@H]1[C@@H]2OC(=O)C(C)C 14407476 DOZBNAYGGAIJEJ-USQQZSEOSA-N 418.530 3.988 0 1 HHAF biogenic O=C1[C@H]([S@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 27848710 TZQGTALDABUEJY-QLVXXPONSA-N 409.482 3.979 0 1 HHAF CCCN(CC1CC1)c1cc([C@@H](O)c2c(OC)cc(OC)cc2OC)nc(C)n1 28367422 RNEULLCPTNYVHQ-JOCHJYFZSA-N 401.507 3.519 0 1 HHAF CN1C(N)=NC(=O)/C1=C/c1cn(Cc2ccccc2Br)c2ccccc12 45352313 LEOFLPSGNPHDNZ-ZDLGFXPLSA-N 409.287 3.580 0 1 HHAF c1cc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4s3)o2)ccc1C1=NCCN1 45364417 MWRCNIWQYJQFKR-UHFFFAOYSA-N 413.506 3.923 0 1 HHAF C[C@@H]1N[C@@H](C)[C@@H](C)N(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H]1C 64454539 ODRYYALTRCCVOI-UKKRHICBSA-N 416.736 3.776 0 1 HHAF CN(c1ccc([C@@](O)(c2cccn2C)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84633376 CMCSFQCSYSBEPF-LJQANCHMSA-N 424.444 3.648 0 1 HHAF COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(N)=O 84710769 CDWOGBIEPVGBQO-UHFFFAOYSA-N 400.504 3.610 0 1 HHAF CC(C)(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)ncc2C(N)=O)cc1 95920976 FTPBVAQEKZTHST-UHFFFAOYSA-N 417.513 3.691 0 1 HHAF in-vitro O=C(Nc1cc2cccnc2cc1OC1CCNCC1)c1csc2cncnc12 113651853 QGAUJXAPAPNGCX-UHFFFAOYSA-N 405.483 3.623 0 1 HHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCN(C)C)cc3)oc2c1 168821052 DFTTYRUTVWMLDU-HNNXBMFYSA-N 406.486 3.685 0 1 HHAF Cc1cc(N2C(=O)c3nn(C4CC4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O 220381202 FTHLNVOKHACXIU-FQEVSTJZSA-N 408.889 3.937 0 1 HHAF COc1ccc(OC)c(-c2oc3c(OC)c(OC)cc(OC)c3c(=O)c2OC)c1 238780160 QYDRTLZRUZXTFF-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 586947060 RNJLFFGTJQKFOR-UHFFFAOYSA-N 422.348 3.636 0 1 HHAF CC1=C(c2ccc3nc(-c4nc(Br)ccc4Cl)[nH]c3c2)NNC(=O)C1 587005638 NYCIIJOIGPBZDY-UHFFFAOYSA-N 418.682 3.796 0 1 HHAF Cn1nnc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1C(F)F 587128778 QBHAMIYEUZUYTQ-UHFFFAOYSA-N 407.016 3.821 0 1 HHAF Fc1cc(C(F)(F)F)c2[nH]c(-c3nccnc3I)nc2c1 587186343 IHGJBLBCOJIPBE-UHFFFAOYSA-N 408.096 3.782 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1N1CCOCC1)CC2=O 587463566 YULNOPWEMKQXBV-GOSISDBHSA-N 402.878 3.936 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(=O)O 587597764 WCKBOFMTONFUFC-REWPJTCUSA-N 422.389 3.567 0 1 HHAF COc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587788878 AHNNFEDQKSBAFB-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587834313 RLVPUYGHIWEJHM-ABCOOTEDSA-N 408.267 3.504 0 1 HHAF CN1CCc2cnn(C)c2[C@@]1(CCCCC(=O)O)c1ccccc1Br 963954282 INWIYIBOZPXABO-LJQANCHMSA-N 406.324 3.559 0 1 HHAF O=C(/C=C/c1cccnc1)NCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1 1857555091 UNRVPKQFXMBCQJ-BUHFOSPRSA-N 421.522 3.645 0 1 HHAF O=S(=O)(Nc1ccc2sc(N3CCNCC3)nc2c1)c1cccc2ccccc12 1911570546 LZZVDAXTGLBILK-UHFFFAOYSA-N 424.551 3.660 0 1 HHAF CC1=C[C@H](CNC(=O)CCCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356285934 ALAJIRBPTNHUAF-KSZLIROESA-N 412.534 3.726 0 1 HHAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccnc5ccccc45)C[C@H]3F)[nH]c2c1 2356710311 YRGKWWLJFUJXTC-XMSQKQJNSA-N 406.461 3.859 0 1 HHAF CC(=O)OC[C@]1(C)[C@H](O)[C@H](OC(C)=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@@H]12 2356812571 BKDBTIRJFPQKQL-AAALWKFZSA-N 418.530 3.782 0 1 HHAF CCOC(=O)c1sc2nc(SC)nc(Nc3ccc(OC)c(OC)c3)c2c1N 1658802 VHAXOPHGDIGCBF-UHFFFAOYSA-N 420.516 3.933 0 1 HHAF C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 13862644 KBJBJJJLLNNCPS-DJJJIMSYSA-N 406.910 3.575 0 1 HHAF C=CCNC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](C)N2C1=O 15968316 HFYFGNBWXFQNGS-JLTOFOAXSA-N 414.465 3.538 0 1 HHAF biogenic C[C@@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]12OC(=O)CS2 27718795 NFDFEUFTGOEPNW-WLOPRVQNSA-N 424.509 3.538 0 1 HHAF CCN(CC)CCC[C@H](C)Nc1ccnc(COc2ccc(OC)cc2OC)n1 28477155 IBDMQBDDFJLCAT-KRWDZBQOSA-N 402.539 3.995 0 1 HHAF CCn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1 40425264 MCJNEAINIUUCDR-UHFFFAOYSA-N 409.515 3.622 0 1 HHAF O=C(c1cccnc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95877338 RCAQIFAZPLCEIE-WTIAFYNJSA-N 403.457 3.878 0 1 HHAF CSCC[C@H](C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O 100626549 DGRZESHMUBNKJP-TUVUNVSASA-N 414.571 3.832 0 1 HHAF Cc1cc(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccc(CCC(=O)N(C)C)cc2)n1 141430899 LZTZNACINFBFAT-UHFFFAOYSA-N 405.506 3.894 0 1 HHAF CC(C)(O)Cn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144924893 IXXDAOWLXRTQQG-OAQYLSRUSA-N 418.415 3.592 0 1 HHAF CC1=NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)OCc1ccc2c(c1)OCO2 169687136 PSDXASFUMCQYGS-ZWKOTPCHSA-N 400.818 3.654 0 1 HHAF CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(=O)NC1CCCC1 213420814 WVUNKWULDOXHJH-RXVVDRJESA-N 416.562 3.690 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587052882 RGFVWRKCEAMTKV-UHFFFAOYSA-N 400.891 3.924 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587202098 FKUQLIJSOYSVTA-OAHLLOKOSA-N 423.347 3.904 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598075 WBPWBEOXIVGAAF-ZKNAWHEASA-N 423.465 3.979 0 1 HHAF CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccnc1 587623825 QRLRGXHGFXZZSM-UHFFFAOYSA-N 413.231 3.609 0 1 HHAF CCOC(=O)[C@@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767999 CDFHPDBYFKFUMR-HXPMCKFVSA-N 407.283 3.633 0 1 HHAF CCOC(=O)C[C@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716903 TXOHRKZEOVCQIR-JTSKRJEESA-N 407.551 3.764 0 1 HHAF CC[C@@H](C)[C@@]1(C(=O)O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963452660 YMMDVNQDGGLISB-PBPZHQAMSA-N 420.465 3.646 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)COC)cc21 1857594406 NVXRWYCAQZRDII-UHFFFAOYSA-N 415.493 3.925 0 1 HHAF Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CCO)CCC5)n3)cc2F)cn1 1857615261 WNJNPYVLMWCMBP-UHFFFAOYSA-N 424.505 3.864 0 1 HHAF CC1(C)CN=C(N2CCN(c3ncnc4sc(C(F)(F)F)cc34)CC2)S1 1857763542 NRLXWRDOBGHCQH-UHFFFAOYSA-N 401.483 3.714 0 1 HHAF COC(=O)C=C(CC[C@@H]1[C@H](OC=O)C=C[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 2356644521 JQUOFEBUGGKARK-URFJDIBFSA-N 406.519 3.989 0 1 HHAF C[C@H](NC(=O)COc1ccccc1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356741658 HOQHBLUQKHNGHN-LBPRGKRZSA-N 400.818 3.949 0 1 HHAF COC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 1330243 KJKIQEUVZLFMKS-UHFFFAOYSA-N 400.500 3.549 0 3 HHAF CCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N(CC)CC)=C1C 61921500 IHGCTLKJIZOKDO-SFHVURJKSA-N 405.583 3.616 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 4208258 PAFFHBYBAWLLAK-CTNGQTDRSA-N 414.889 3.689 0 1 HHAF CC(C)(C)OC[C@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCCCC3)N2C1=O 5950515 PFBZJJBXQCDSHA-RZUBCFFCSA-N 423.557 3.856 0 1 HHAF O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1Cc1c([nH]c3ccccc13)[C@H]2c1ccccc1 26951667 VIISWPYIGCMBNW-SONWIMMPSA-N 421.500 3.752 0 1 HHAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(c1ccc(C(=O)Nc3ccccc3N)cn1)C2 28824516 YCAXAMGLAZSIOJ-CALCHBBNSA-N 423.517 3.504 0 1 HHAF CC[C@H]1OC(O)=C2C1=NC1=C(C(=O)OCC1)[C@H]2c1ccc(F)c(Br)c1 40567961 VINBRMNMPKMHAE-CHWSQXEVSA-N 408.223 3.906 0 1 HHAF CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)c2ccc(N(C)C)cc2)OC1=O)CC 40915287 JMKDPOCHTLWPTO-NYWCXEHESA-N 403.519 3.730 0 1 HHAF Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21 95604665 MUUWFGCCXBFENT-UHFFFAOYSA-N 414.416 3.641 0 1 HHAF COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C1 96927604 CVJKYAHEPOOFMI-UHFFFAOYSA-N 421.280 3.878 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 104267816 DBVVQIUGVRXLPK-RTWAWAEBSA-N 420.623 3.516 0 1 HHAF C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C[S@@]3=O)[C@@H]1C 169302219 WQUZYPVODOEGGI-VKSRIEQFSA-N 424.566 3.896 0 1 HHAF COC(=O)c1c(NC(=O)Cc2sc(N)nc2O)sc2c1CC[C@H](C(C)(C)C)C2 169693099 CTMHEJWNXSAAHS-VIFPVBQESA-N 423.560 3.611 0 1 HHAF C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(C)c3)nc2n1 169704091 XQLYKWRLTPXWLG-MRXNPFEDSA-N 415.501 3.958 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 261173518 UHBPTWDWEKLBAG-BZUAXINKSA-N 417.941 3.746 0 1 HHAF CCOc1cc(/C=C\c2nc3c(O)nc(S)nc3[nH]2)cc(Br)c1OC 586977204 ZAHXIPMUKGDNRG-PLNGDYQASA-N 423.292 3.687 0 1 HHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587197906 BCJPKRRBILFTJA-UHFFFAOYSA-N 416.503 3.557 0 1 HHAF NC(=O)c1cccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587231655 UGRHBCVKJRGRGU-UHFFFAOYSA-N 415.453 3.551 0 1 HHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(I)c3[nH]1)C2 587246250 FFTPSXKDZLPRAY-GOSISDBHSA-N 419.266 3.519 0 1 HHAF CN1CC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587581277 GRBFVWOPXDMRER-CTIGNXTNSA-N 415.445 3.728 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnn[nH]2)N1 587736622 SPBUHNVGDMEWPF-XTZNXHDOSA-N 405.246 3.672 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nn2)N1 587756367 DGAMNDUMQBJTJW-CWTRNNRKSA-N 401.283 3.852 0 1 HHAF CC[C@H](C)[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 653767902 IGVUMMLAGMRIGI-KYNGSXCRSA-N 401.482 3.882 0 1 HHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)N1 962951943 PHWDMRFUIRPLMV-JNHRPPPUSA-N 400.519 3.805 0 1 HHAF Cc1nc2cc(Cl)ccn2c1C(=O)NCCOc1ccc(Br)cc1 1857599373 NKOIDBSLBXAGED-UHFFFAOYSA-N 408.683 3.867 0 1 HHAF C[C@]1(O)CCN(C(=O)C2CCCCC2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356288682 JFBUMSFYTRLBND-FBLLAGFSSA-N 412.574 3.966 0 1 HHAF C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356343348 MOORTOASYZIMHL-JTQLQIEISA-N 414.801 3.913 0 1 HHAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@H](C)[C@@]12O 2356560370 XFMQQRAGUVWJNG-PIKRVICQSA-N 416.558 3.988 0 1 HHAF CC=C(C)C(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](OC(C)=O)[C@H]3CC[C@@H]4C(C)(C)[C@H]1C[C@@]234 2356760088 WEMIALKTULZOFO-HJMGNRIHSA-N 404.503 3.755 0 1 HHAF CC(=O)c1ccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)cc1 12434588 XFDGYNPNDPMEQH-UHFFFAOYSA-N 405.454 3.871 0 3 HHAF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4076301 CLRATSVFOFTHTP-URVUXULASA-N 424.884 3.745 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO 4208882 QLNUSVHFCDNPIS-ICSRJNTNSA-N 416.905 3.575 0 1 HHAF CCCS(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2F)C2CCCCC2)C1 4712502 SXDYYZZIAYHUPR-LJQANCHMSA-N 424.582 3.939 0 1 HHAF CCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 6595883 BAYNIMBUCHFOKZ-UHFFFAOYSA-N 413.514 3.664 0 3 HHAF CCCN1CCN(C(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)CC1 6895775 JGTWPSSDIKTEBO-MHZLTWQESA-N 408.951 3.550 0 1 HHAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 29402672 PCALQRJKBBDAFN-JGUFOIBDSA-N 403.563 3.725 0 1 HHAF Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 28396798 YFZMRHFEVGODEE-UHFFFAOYSA-N 421.569 3.525 0 1 HHAF Cc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1 116674332 UEFSFOYESRAIHQ-UHFFFAOYSA-N 407.474 3.592 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2cccnc2)CC[C@@]1(C)O 2356742654 PVGRHWYGVBPSRC-KCZVDYSFSA-N 401.576 3.762 0 1 HHAF C[C@@H]1CC[C@@H](Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1 118564602 NBHKKDNCENFLJU-QZTJIDSGSA-N 413.481 3.888 0 1 HHAF CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)c(C)c(OC(C)=O)c(C)c3o2)cc1 14780119 AFCFGTJQEOJZQS-UHFFFAOYSA-N 424.405 3.853 0 1 HHAF biogenic Cc1cc(Br)cc(Cn2c(=O)ccn(C/C=C/c3ccccc3)c2=O)c1 95589661 BVJWVIGIGGQCSG-VMPITWQZSA-N 411.299 3.843 0 1 HHAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 147690213 BWGWYQWYXXYEFW-BGYRXZFFSA-N 415.578 3.649 0 1 HHAF Cc1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc2n1 147034397 HWXNJENYXAISBU-QFBILLFUSA-N 415.501 3.600 0 1 HHAF Cc1c(Br)c(=O)oc2c1ccc1oc(S(=O)(=O)c3ccccc3)nc12 68602094 GNZMEDNKZBJTLH-UHFFFAOYSA-N 420.240 3.838 0 1 HHAF biogenic CCCc1ccc(Nc2ncnc3cc(OC[C@@H]4CNCCO4)c(OC)cc23)cc1 299824396 KWIGSMVYZIYALQ-SFHVURJKSA-N 408.502 3.702 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1I)[C@@H](C2)C3=O 587426751 FNFIHUHASUDFKA-UGSOOPFHSA-N 406.219 3.963 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587198392 IEYUTQPWBARPDD-UHFFFAOYSA-N 412.375 3.849 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2N)N1 587684933 RLWROVNRINUGQY-WJWGPLDTSA-N 415.104 3.952 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(NC(=O)OC)nc3)nc2c1 587244289 CGJMTHRSXUNCML-UHFFFAOYSA-N 419.235 3.742 0 1 HHAF CCOC(=O)C[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361512 ZCDDFFKLULEZLV-LDLFBNOTSA-N 414.429 3.619 0 1 HHAF N[C@@H](Cc1ccc(I)cc1)c1nc2cnc3ccccc3c2[nH]1 587185413 JMYKYNZGQOAFHS-AWEZNQCLSA-N 414.250 3.958 0 1 HHAF CS(=O)(=O)[C@@H](c1nc2ccccc2[nH]1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531140 IPETTZGWLPNIOV-PZJWPPBQSA-N 410.495 3.561 0 1 HHAF C=CN1CCCC[C@@H]([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587440506 AQMSDPHXAZCTLG-IECBHUPTSA-N 404.466 3.505 0 1 HHAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Oc1c(Cl)cc(Cl)cc1Cl 587368811 PFYJBINKKRMYNT-UHFFFAOYSA-N 400.605 3.544 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCN(C)CC2)N1 587767180 QUDUDMLVNHTNQY-LHSJRXKWSA-N 418.354 3.964 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(C(=O)O)cc1 587868496 MXYYRLAUSPOEAU-UHFFFAOYSA-N 406.320 3.751 0 1 HHAF C[C@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576722 HWORZRDKQHLROJ-ZJSXRUAMSA-N 403.434 3.819 0 1 HHAF CC1=C(c2ccc3nc(-c4cnc(C)c(Br)c4C)[nH]c3c2)NNC(=O)C1 586979515 OEKGGRLSUQQBGO-UHFFFAOYSA-N 412.291 3.760 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)c1c(C)nn(CC)c1C)C(=O)OC 963234164 UYDXCXUVQBMNDI-UPCLLVRISA-N 411.546 3.818 0 1 HHAF CCn1ncc([C@@]2(CC(=O)C(F)F)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1C 962638649 XDSQDRHRIYGBAZ-WHEQGISXSA-N 421.488 3.573 0 1 HHAF Cc1nc(Nc2ccccc2)c2c(-c3ccccc3)cn([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)c2n1 13809512 QTALEPUVMQMVON-VPWKFZTBSA-N 416.481 3.789 0 1 HHAF Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1C 201467160 QIEQBQPXZXNTAE-LJQANCHMSA-N 409.511 3.643 0 3 HHAF COc1ccc(OCCN2CCN(C(=O)c3cc4c(Cl)cccc4[nH]3)CC2)cc1 205941777 RNWJQFRWBPTMAA-UHFFFAOYSA-N 413.905 3.667 0 1 HHAF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485120 XFRILUGYVKQTJL-UHFFFAOYSA-N 422.815 3.679 0 1 HHAF c1coc(CNc2nc(NCc3ccco3)c3nc(NCc4ccco4)[nH]c3n2)c1 5606139 YMMWVBHDWLGCGI-UHFFFAOYSA-N 405.418 3.968 0 1 HHAF CSc1nn(Cc2ccc(F)cc2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 6915561 LQYCXKHSZYNJMU-UHFFFAOYSA-N 411.911 3.861 0 1 HHAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 8623894 MXUIMNUABCUNRM-WOJBJXKFSA-N 401.514 3.792 0 1 HHAF biogenic O=c1c2ccccc2ncn1CCCCN1CCN(c2nsc3ccccc23)CC1 13738139 KZJJPWMLHGEQSC-UHFFFAOYSA-N 419.554 3.609 0 1 HHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)N[C@H](CP(=O)(O)O)C(=O)O 13742388 CKUHCKCWOOAQKN-UINNIIOQSA-N 401.440 3.543 0 1 HHAF CCCC[C@@H](C[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O 13761386 NBOQQJXCMRBQCH-HSALFYBXSA-N 418.578 3.793 0 1 HHAF COCCN(CCOC)c1cc(C)nc2c(-c3ncc(Cl)cc3Cl)c(C)nn12 28360866 IEQSIYPJTXXASR-UHFFFAOYSA-N 424.332 3.814 0 1 HHAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2cccc(O)c2)c1 29038786 PXOJVONLBYKKMW-UHFFFAOYSA-N 404.538 3.959 0 1 HHAF COc1ccc(N2C[C@H](CN3CC=C(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1 29413692 UVRWEANDSOJSMD-FQEVSTJZSA-N 408.454 3.538 0 1 HHAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(OC)c1 45211191 WONRPDPFXYVGSU-ACJLOTCBSA-N 411.420 3.755 0 1 HHAF CC(=O)Nc1ccccc1OC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 68600797 MFSYPJCEDGAEHB-UHFFFAOYSA-N 424.478 3.973 0 1 HHAF biogenic CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82072059 XUINPFLXIIHPLP-UHFFFAOYSA-N 416.591 3.558 0 1 HHAF COCC(COC)n1cc(Cl)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O 95555753 DZGXOJAQRIHVDT-UHFFFAOYSA-N 422.696 3.790 0 1 HHAF CCCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 96284498 SSCLJYKQUUTJQX-UHFFFAOYSA-N 422.529 3.935 0 1 HHAF Nc1nc(-c2ccc(CCN3CCN(c4cnc5ccccc5n4)CC3)cc2)cs1 98084565 YIZWNFGPKTVBMH-UHFFFAOYSA-N 416.554 3.700 0 1 HHAF C[C@@]12C[C@H](NC(=O)N1c1cccc(C(=O)NCc3ccccn3)c1)c1ccccc1O2 100808478 KWWYOZBKAPXWBH-GBXCKJPGSA-N 414.465 3.781 0 1 HHAF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 103229298 OCQOJNSDCOVTPF-SPXLFKILSA-N 413.473 3.801 0 1 HHAF CC[C@@H](Nc1ncnc2c(C(N)=O)cc(-c3cnn(C)c3)cc12)c1cccc(F)c1 114349344 SHKHXAXICQSNHX-LJQANCHMSA-N 404.449 3.832 0 1 HHAF CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 114350248 AGDQZNITYJKXQO-INIZCTEOSA-N 404.301 3.750 0 1 HHAF CCCS(=O)(=O)NCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N)CC2 140761611 WECYLIIKCYSVQZ-FGZHOGPDSA-N 421.006 3.812 0 1 HHAF CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1 169720519 FYDWBCULRFNKGS-OTWHNJEPSA-N 405.523 3.661 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OC/C=C/c1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 253641796 UASJKQINROBGIC-MJKXZPMRSA-N 405.494 3.951 0 1 HHAF Cc1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c(C)n1 586946913 VPQKKVLWRIYRNE-UHFFFAOYSA-N 404.542 3.843 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)cc(OC)c3[nH]2)cc1 587040758 BJAWKGSEAHOGOH-KRWDZBQOSA-N 413.499 3.867 0 1 HHAF FC(F)COc1cccc(-c2nc3cc(I)ccc3[nH]2)n1 587123939 LMOQJFYLUJSGAS-UHFFFAOYSA-N 401.154 3.873 0 1 HHAF CC(C)Oc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br 587256299 FBHDAGMKZVBOTK-GFCCVEGCSA-N 412.328 3.714 0 1 HHAF CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425472 CYLVUAZUTHORJO-QRQCRPRQSA-N 400.402 3.741 0 1 HHAF CCN1CCN(c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2F)CC1 587427351 SUGJHQMYYKVZHO-KOSHJBKYSA-N 410.489 3.639 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(C)cc4nc1N1CCOCC1)[C@@H](C2)C3=O 587445284 UBVWALZMMWIXRO-MHECFPHRSA-N 416.477 3.877 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)oc3nc(Br)nn13)CC2=O 587459175 MZXRXIIJCOGNOA-SFHVURJKSA-N 420.263 3.932 0 1 HHAF Nc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Br 587549465 XAEGGVBRQLUPKP-RDTXWAMCSA-N 413.227 3.835 0 1 HHAF NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587574446 AXQOAYABXCCEOU-URXFXBBRSA-N 414.417 3.535 0 1 HHAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587752257 DOUDFZXUHBDWGK-RDXCRGQUSA-N 407.327 3.983 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587764477 QCUUYIAWTFUJCV-JFOJCXOFSA-N 407.331 3.658 0 1 HHAF C[C@@H](Cn1cc(Cl)cn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923708 GVVYJOZNOCOKGZ-LBPRGKRZSA-N 410.952 3.860 0 1 HHAF COc1ccc([C@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c(OC)c1 618007254 DTMCSLNPRCZGOU-LCPUNJGISA-N 406.442 3.977 0 1 HHAF Cn1ncc(Cl)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1 653864145 MUBZXHWRHNPWGD-UHFFFAOYSA-N 418.925 3.950 0 1 HHAF COC(=O)c1cc([C@]2(c3ccccc3)NCCc3cnc4c(OC)cccc4c32)c[nH]1 963062143 ZYDXYEFEMVKDAN-VWLOTQADSA-N 413.477 3.796 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3c(Br)cccc32)N1 963231863 RPVIWRSOAPZYRD-PZJWPPBQSA-N 409.283 3.786 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccc(F)c(F)c2)cc1 1772607101 MADLVOPNVSOWGI-FQEVSTJZSA-N 413.424 3.579 0 1 HHAF Cc1ccc(CN2CC[C@H](N3CC[C@H](c4ccc(O)cc4)[C@@H](F)C3)C2=O)cc1F 1772631460 LAKBGWVRKNIOGO-HJNYFJLDSA-N 400.469 3.768 0 1 HHAF CSc1ccc(-c2cccc(NC(=O)CCc3cccc4c3B(O)OC4)c2)cc1 1857552905 RDKNYFQGNBMYDT-UHFFFAOYSA-N 403.312 3.865 0 1 HHAF C[C@H]1c2cccc(-c3cnn(C)c3)c2C[C@H](CO)N1C(=O)Cc1ccccc1Cl 1857563539 NUZBWQNSAWYYEI-MAUKXSAKSA-N 409.917 3.790 0 1 HHAF CC(C)N1CCN(c2nc(N=c3cc(C4CC4)[nH][nH]3)c3cc(Cl)ccc3n2)CC1 1857632868 ROBXVLLXALFNSX-UHFFFAOYSA-N 411.941 3.580 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(C(F)(F)C(=O)c2ccccc2)C(=O)Nc2ccccc21 1911575503 UQDONFDXOXZULF-FQEVSTJZSA-N 402.397 3.877 0 1 HHAF O=C1NCCN1CCNc1nc(NCC2CC2)nc2cc(-c3ccccc3)sc12 61905942 OIWYEQHYZITKJL-UHFFFAOYSA-N 408.531 3.617 0 3 HHAF O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484764 LLGZTZVUWBMLDS-UHFFFAOYSA-N 422.815 3.679 0 1 HHAF Cc1cc(N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)c2ccc(C)nc2c1 3959324 DHKSBFZUOUSCJC-UHFFFAOYSA-N 416.525 3.547 0 1 HHAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 4049132 AKZHVYPTJXQLKZ-JTHBVZDNSA-N 409.530 3.635 0 1 HHAF O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 20597662 HLABYPUJYQQQRZ-UHFFFAOYSA-N 413.587 3.858 0 1 HHAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@H](C)C(=O)[C@H](C)C1)C(F)(F)F 34802045 FNAPHRONLYQVOG-LAPQFRIASA-N 419.459 3.952 0 1 HHAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC[C@H](c2c[nH]c3cc(F)ccc23)C1 36237958 ASDKFOKSFQKONG-SBUREZEXSA-N 407.489 3.899 0 1 HHAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@@H](C(C)C)C1 45320536 MTWVWDHCVNCXAC-AOYPEHQESA-N 409.618 3.716 0 1 HHAF O=C(CN(Cc1ccccc1)Cc1ccc2ccccc2c1)OCCN1CCOCC1 45334572 SGPHIJPUBPRDLB-UHFFFAOYSA-N 418.537 3.717 0 1 HHAF CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 82072790 WBVSLHZIRZTQNF-FQEVSTJZSA-N 413.518 3.578 0 1 HHAF COc1ccccc1CCNC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82133752 DGKQDFAKSYIOSJ-UHFFFAOYSA-N 402.498 3.947 0 1 HHAF CC(C)C[C@H](C(N)=O)N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 95552941 DJNCUYNIAMTFKA-HXUWFJFHSA-N 422.978 3.864 0 1 HHAF C[C@H]1C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@@H](C(C)(C)O)C4)O1 95912540 YBYHQICXTIWWIY-JEOXALJRSA-N 422.433 3.740 0 1 HHAF biogenic,in-vitro COCCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(C)c12 96922376 IGJKPBXTWSIUPY-UHFFFAOYSA-N 400.434 3.681 0 1 HHAF C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(C3CCCCC3)ccc2N)C[C@@H](N)[C@@H]1O 140327222 JMHGWOVBMIFUIZ-CBAWVIOQSA-N 423.561 3.561 0 1 HHAF COc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1F 142507951 ZJYXLUWRJCYICJ-NYYWCZLTSA-N 412.442 3.714 0 1 HHAF O=C(N[C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 146276467 HGSIQHLBRZODEA-DENIHFKCSA-N 415.472 3.640 0 1 HHAF COC(=O)c1cc(Oc2ccc(NC(=O)Cc3ccccc3)cc2)cc(C(=O)OC)n1 169327774 HZHTUNJCBKATLS-UHFFFAOYSA-N 420.421 3.628 0 1 HHAF OCc1cc([C@@H](O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O 169351230 KDMOZVPKQLUQFY-SANMLTNESA-N 418.537 3.983 0 1 HHAF O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(CC3CCC(F)(F)CC3)c2N1 299867940 QVPVCFRPDQANDU-FQEVSTJZSA-N 420.847 3.942 0 1 HHAF COc1ccc2nc(N3CCC[C@@H]3C(=O)N[C@H]3CCc4ccccc43)nc(C)c2c1 299872917 IGABNJVJKFRRGC-RBBKRZOGSA-N 402.498 3.719 0 1 HHAF Cc1c(Br)cnc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c12 586947806 GHJHPRRBFLVYOA-UHFFFAOYSA-N 409.309 3.846 0 1 HHAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2nncn12 587338286 NSLAYVGMJKNYEK-KNQAVFIVSA-N 404.401 3.552 0 1 HHAF CN(C)/C=C/c1nc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572227 ONMBDOYKKRMENY-VQMHNJBBSA-N 418.449 3.902 0 1 HHAF CO[C@H](C)c1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587580621 SWWRETWSHGFRDH-OECQAKIHSA-N 405.450 3.915 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C[C@H]3CCCO3)C[C@H]2C)N1 587763423 YZMKNGCFWGITSK-NOAAKOMESA-N 411.359 3.839 0 1 HHAF COc1ccc(C=O)c(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1OC 587786663 NPGBIIONZNPFSW-UHFFFAOYSA-N 405.204 3.520 0 1 HHAF Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587829593 RHWZEXVGROBXBN-MPBGBICISA-N 420.278 3.984 0 1 HHAF COc1cc2c(cc1OC)[C@](CC(C)=O)(c1cccc(NC(C)=O)c1)N(C)[C@@H](C)C2 962576264 WRWBQWUTNJYVBG-OWJWWREXSA-N 410.514 3.761 0 1 HHAF FC(F)(F)[C@@H]1CN(Cc2ccccc2)CC[C@]12NCCc1nc3ccccn3c12 962991392 VJIVGGSXHNTSQK-NQIIRXRSSA-N 400.448 3.760 0 1 HHAF CCOC(=O)Nc1ccccc1[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963236925 SUPYURYOWFLHDE-NZQKXSOJSA-N 405.454 3.666 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CC[C@@H](C(=O)NC4CCCC4)C3)c2)c1 1772603780 RAHWQSZFAUHTTE-LJQANCHMSA-N 406.530 3.523 0 1 HHAF COC(=O)[C@]1(C)[C@@H](OC(C)=O)CC[C@@]23C(=O)O[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 1772637930 GHOKJZDDFSAPAR-DSSVKQQFSA-N 416.470 3.528 0 1 HHAF COc1ccc(CNC[C@@H]2O[C@@H](Cc3cc(-c4ccccc4)on3)CC[C@H]2O)cc1 2356287648 NBJATMBRXOEWSE-AKFKNWHVSA-N 408.498 3.591 0 1 HHAF CC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)[C@H](O)[C@H](O)[C@@](C)(O)CC[C@H]12 2356326294 WMNBQKASDSMKDY-MGOQGQGYSA-N 406.607 3.665 0 1 HHAF CCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378517 ZQTHGYMNHLBFPQ-HXUWFJFHSA-N 412.559 3.895 0 3 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 4049130 AKZHVYPTJXQLKZ-GMAHTHKFSA-N 409.530 3.635 0 1 HHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(OC(=O)c2ccco2)cc1 101899342 IVPPHRQVKUJUTN-OXMAITBSSA-N 411.410 3.920 0 1 HHAF CCCC[C@@]12C[C@@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 101054982 CESRDADCMWXVSB-FCHUYYIVSA-N 411.889 3.848 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(CCC(=O)O)cc1 27865665 KIHUNALZNZWSQO-QFIPXVFZSA-N 424.497 3.967 0 1 HHAF Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4nccs4)nn(C)c3n2)cc1 117514862 PCALLGUMHPYDBK-HNNXBMFYSA-N 421.526 3.965 0 1 HHAF CC(C)[C@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29242198 WIHSIFBKYROBEQ-AWEZNQCLSA-N 411.405 3.945 0 1 HHAF O=c1[nH]c2cc(F)ccc2n1C1CCN(C[C@@H]2COc3ccc(Cl)cc3O2)CC1 27897013 LCRDPDAATCDENO-MRXNPFEDSA-N 417.868 3.599 0 1 HHAF Cc1nc2c(c(-c3[nH]ncc3F)n1)CCN(C(=O)c1cccc(Cl)c1Cl)C2 219452112 KXNZELKUVAUIKB-UHFFFAOYSA-N 406.248 3.820 0 1 HHAF O=C(N[C@@H]1COc2ncccc21)[C@H](CN1CCCC1)c1ccc(Cl)cc1Cl 146595858 PKHTYKLFJAEFOW-SJLPKXTDSA-N 406.313 3.818 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(Br)c1 587538176 CUCAPBJNJZFWQY-MAUKXSAKSA-N 414.211 3.958 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)CC2=O 587479739 URQNSSYBHKXHOT-QRQCRPRQSA-N 419.474 3.533 0 1 HHAF O=C1CSc2ccc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2N1 587043760 MKMXBFUHTAJJNP-UHFFFAOYSA-N 413.402 3.568 0 1 HHAF O=C1C[C@](c2ccc(Br)s2)(C(O)O)Oc2c1ccc1c2CCCC1 587533148 UMZLULYWOKXNAQ-SFHVURJKSA-N 409.301 3.561 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 587124888 CYJCSSCESDMVGC-HZGVNTEJSA-N 401.190 3.891 0 1 HHAF Cn1c2c(ccc1=O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341149 VJBAWBBGNWRGSL-VWNXMTODSA-N 405.425 3.821 0 1 HHAF Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 587837555 IOPMHOWGMXZDSZ-OXNYHJJDSA-N 418.262 3.890 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCC[C@@H]1C(C)=O)N(C(=O)c1ccccc1N)CC2 963142710 LBWPQGNIOOKSEN-KOSHJBKYSA-N 408.498 3.569 0 1 HHAF NC(=O)N1CCc2sccc2[C@]1(c1cccc(CN2CCOCC2)c1)C1CCC1 962714046 QNHBNCPWBKYWAT-HSZRJFAPSA-N 411.571 3.561 0 1 HHAF Nc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(Br)c1 962973345 KHLOEABEZXPSHR-WFASDCNBSA-N 417.637 3.651 0 1 HHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCO)c(-c2cncnc2)c1 205918638 HZGMBYVJGXWOPX-UHFFFAOYSA-N 419.359 3.666 0 1 HHAF CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCCCC3)ccc2O1 2488117 ARBCOGCTGLKJMP-FQEVSTJZSA-N 413.562 3.517 0 1 HHAF CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(OC)cc1 2909135 AWUABEOSMIXGPH-UHFFFAOYSA-N 417.556 3.806 0 1 HHAF COc1ccc(CC2=NO[C@@H](C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)C2)cc1 11789792 TUOFWCYYWCPZPW-VGOFRKELSA-N 418.497 3.665 0 1 HHAF CC(C)(C)c1ccc(CNCCCCNCCCNC(=O)CCCCC(=O)O)cc1 13674146 OELSCUFXJFJLJV-UHFFFAOYSA-N 419.610 3.595 0 1 HHAF CCc1nn(-c2cccc(F)c2)c2nc(Sc3cccc(C(=O)O)c3)nc(N)c12 27901015 SJZVPQQVRNWHDU-UHFFFAOYSA-N 409.446 3.949 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(C[C@H]2OC(=O)NC2=O)cc1 29328914 PSCLQGCRYFVMHJ-HXUWFJFHSA-N 404.422 3.643 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29413251 SZDSCLOAPYDVBU-MYVIPBLCSA-N 402.579 3.513 0 1 HHAF CSCC[C@H](N)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 45334388 UIGBDOHIJHLKII-RBUKOAKNSA-N 400.592 3.744 0 1 HHAF CC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 49803647 NRBTTZMRUAJUOD-UHFFFAOYSA-N 400.906 3.770 0 1 HHAF O=C(c1ccccc1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72100994 BZPMQUUNRDPQNP-OAQYLSRUSA-N 410.880 3.817 0 1 HHAF COCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc(C)c1 82147430 RJCUSTMARRYHCC-UHFFFAOYSA-N 404.514 3.791 0 1 HHAF CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NCc1ccc(OC)cc1 82157535 SURLAOAQRDUOFO-UHFFFAOYSA-N 417.849 3.777 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@@H](N)CC2 88260910 JFSJPPGMGSZPNT-GOTSBHOMSA-N 418.578 3.688 0 1 HHAF Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1 96167381 NDLIIFSQAHMVOB-UHFFFAOYSA-N 412.457 3.540 0 1 HHAF CCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175411 WCCJXDLAVDDZNP-UHFFFAOYSA-N 413.485 3.988 0 1 HHAF COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(C)cc2)c1 103191264 SERRJWGOWXMSIH-GOSISDBHSA-N 421.316 3.685 0 1 HHAF CCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167949520 JOKMUELGKRIPRJ-UHFFFAOYSA-N 403.482 3.891 0 1 HHAF COc1ccc2cc3[n+](cc2c1OCCCCCCN)CCc1cc2c(cc1-3)OCO2 169321214 RRSQTDSSDCOHJU-UHFFFAOYSA-N 421.517 3.986 0 1 HHAF CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H]1CCC[C@@H]2N1CCCC1 204658764 CQXHKVAZLJKFTQ-ZJOUEHCJSA-N 410.389 3.695 0 1 HHAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)C4CC4)cn3)cc2n1 205635126 LTQDWLBJRNEBCU-UHFFFAOYSA-N 414.440 3.977 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)c1 210645077 NWIWQLLTIOCJBP-UHFFFAOYSA-N 408.546 3.769 0 1 HHAF CN1CCc2ccccc2[C@H]2c3cc(O)c(I)cc3CC[C@H]21 253636061 IVGSTXXJKUDQDU-MJGOQNOKSA-N 405.279 3.931 0 1 HHAF Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)on1 473162734 JTXJTKWEAOZLMZ-AOIWGVFYSA-N 404.470 3.821 0 1 HHAF O=C1O/C(=C\c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 586906530 NIEBAVJXLLFTLC-YHYXMXQVSA-N 423.597 3.884 0 1 HHAF Cc1nc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1Br 587007026 WPFLDKAQISUUAT-UHFFFAOYSA-N 408.057 3.501 0 1 HHAF CN1CCN(c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)CC1 587080153 NCKGTWCATDGFSG-SFHVURJKSA-N 408.937 3.692 0 1 HHAF Cc1ccc2c3c(cc(C4C(=O)CC(C)(C(=O)O)CC4=O)nc13)-c1ccccc1C2=O 587101909 RHTWIFQNFOXFRQ-UHFFFAOYSA-N 413.429 3.861 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CCN3CCOCC3)c1C)CC2=O 587468627 AFSHCZGCPMAKBE-HSZRJFAPSA-N 412.530 3.802 0 1 HHAF CCn1ncc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587766307 VGBQEEMRQPXMPV-IYBXPEPISA-N 421.358 3.966 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587790284 FLCYJARLGJOLBY-NSPYISDASA-N 408.267 3.984 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808600 OPTSQEUTSUZNBH-YUNKPMOVSA-N 420.278 3.764 0 1 HHAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)[C@H](C)C1 653745754 QSZLJLMXQZMXAD-QGZVFWFLSA-N 400.486 3.539 0 1 HHAF Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(NCCO)n1 653905140 FUWCOIXWOBODRX-UHFFFAOYSA-N 400.914 3.695 0 1 HHAF CCOc1cc([C@H]2c3ccsc3CCN2C(N)=O)ccc1OCC(=O)OC(C)C 962713643 PDJSCXSPYQGQRX-FQEVSTJZSA-N 418.515 3.503 0 1 HHAF C[C@]1(CC(=O)Nc2cc(Cl)ccc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896315 JTIITUVCSBVSNI-QFBILLFUSA-N 411.260 3.975 0 1 HHAF CCOC(=O)CCc1c(C)c([C@H]2NCCc3c2c(C(C)C)nn3C)c2ccccn12 962922048 VIROOCMJZVSHII-XMMPIXPASA-N 408.546 3.835 0 1 HHAF C[C@H](O)[C@]1(c2cccs2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963199061 VSFDYCPQFLEIIQ-NMOXSOIISA-N 405.825 3.644 0 1 HHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc(-n3ccnn3)cc2)N1 963206781 YPVYLIKRANGASH-DLBZAZTESA-N 422.794 3.628 0 1 HHAF COc1cc(C=CCO)ccc1O[C@@H](C)[C@H](OC(C)=O)c1ccc2c(c1)OCO2 2356633119 YKCQRENZSQIALG-FPTDNZKUSA-N 400.427 3.501 0 1 HHAF O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21)NC1CCCCC1 3588369 MEHKMEOXIAJBQS-UHFFFAOYSA-N 409.917 3.973 0 3 HHAF O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 12434336 VGYSMIAKAWBLPW-HSZRJFAPSA-N 409.917 3.983 0 3 HHAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC 776989 FHMVJXVRMQRMDX-ZDUSSCGKSA-N 414.433 3.666 0 1 HHAF CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 2487171 ZKYWIVWBEZUGQX-IBGZPJMESA-N 417.550 3.593 0 1 HHAF Cc1csc2nc(Cc3cccc(NC(=O)c4cccc(NN)c4)c3)oc(=O)c12 6523547 VWMAMDFZAVTENG-UHFFFAOYSA-N 406.467 3.687 0 1 HHAF COc1cc2oc(=O)ccc2c(-c2c(OC)c(OC)cc3oc(=O)ccc23)c1OC 15210678 AIQYHXJTVDTWIH-UHFFFAOYSA-N 410.378 3.601 0 1 HHAF biogenic COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 15944500 CZTADHFVPMNRLK-HDCJUVEGSA-N 418.559 3.848 0 1 HHAF Cn1c(O)c(C(=O)C[C@@H](NCc2ccncc2)c2cccs2)c(=O)c2ccccc21 24717264 QIWIPYMTEMUUIJ-QGZVFWFLSA-N 419.506 3.805 0 1 HHAF biogenic NC(=O)c1ccc2[nH]c(-c3ccc(O[C@@H]4CCN(Cc5ccccc5)C4)cc3)nc2c1 28959915 BOTRTLWNSISBAE-OAQYLSRUSA-N 412.493 3.982 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccccc1 40866702 OCZZLQJGEUJKRT-RBUKOAKNSA-N 405.523 3.638 0 1 HHAF Cc1csc(-c2[nH]/c(=N/C(=O)c3ccccc3)[nH]c2-c2ccc3c(c2)OCO3)n1 73312557 PSUFJHLXVQVHTI-UHFFFAOYSA-N 404.451 3.912 0 1 HHAF O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cc(Br)cs1 96921750 CMWUZVQZDRLMEJ-UHFFFAOYSA-N 400.257 3.973 0 1 HHAF OCC(CO)Nc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115759819 OGWNMPMSDMRLGO-UHFFFAOYSA-N 405.429 3.993 0 1 HHAF CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/[C@@H](O)Cc2ccccc2)[C@@H]1O 118268882 BHGLRNRVCYDAJB-CUPXMEQHSA-N 400.515 3.550 0 1 HHAF Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(C(F)(F)F)cc1 118624487 CTGPUFQNQVNVGF-SJORKVTESA-N 411.387 3.974 0 1 HHAF C[C@@H](O)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C=C([C@H]3CC[C@H]4C(=O)C[C@H](O)CC=C43)C[C@]21C 142509420 MCYUJBHXAJEPHI-OXQFZJGKSA-N 400.559 3.713 0 1 HHAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(OC)c(OC)c1)CCCC3 169686315 IFHDKWFRCUTUOD-WOJBJXKFSA-N 423.513 3.977 0 1 HHAF CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709344 IANNWJNJOJTRSK-HNAYVOBHSA-N 400.498 3.897 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(COC2C3CC4CC(C3)CC2C4)cc1F 216199720 JUPYBQMLWWUFKT-UHFFFAOYSA-N 421.534 3.734 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCC(O)CC1)C(=O)N2 219346603 DWFIOWFVXYAHAC-XMMPIXPASA-N 403.482 3.611 0 1 HHAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 586920893 ULJWEQCPHOMWCQ-UHFFFAOYSA-N 409.305 3.925 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075317 HMVHZZLVPGTUGM-LJQANCHMSA-N 418.950 3.804 0 1 HHAF FC(F)(F)c1nn(CCc2nc3cc4c(cc3[nH]2)OCCO4)cc1Br 587119601 YYCBKAVNSKFVMR-UHFFFAOYSA-N 417.185 3.555 0 1 HHAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 587334840 ZHCPFWFSRJNXOA-KRWDZBQOSA-N 423.362 3.814 0 1 HHAF Cc1c(O[C@@H](C)c2ccc3c(O)nc(O)nc3n2)ccc2c3c(c(=O)oc12)CCCC3 587562611 HOKHYEVRAUYGBE-LBPRGKRZSA-N 419.437 3.870 0 1 HHAF C=C1NC(C)=Cn2nc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587586519 KLMWZFSZSIFAPZ-NZQKXSOJSA-N 401.422 3.858 0 1 HHAF O=C(c1cc(C(F)(F)F)n[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658605 PUTONNXJIUXPQZ-UHFFFAOYSA-N 402.307 3.633 0 1 HHAF COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587773937 SLIRYCQBQRCNEG-NSPYISDASA-N 423.282 3.634 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962700613 KFHVENNTTANKJU-UKUXTQECSA-N 422.422 3.934 0 1 HHAF COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCCCN1CCOCC1 1857573329 XUMKYTJVKADMNL-HKWRFOASSA-N 408.498 3.597 0 1 HHAF CC=Cc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 2356406528 YWJJIZDJLXSKMI-ZUOKHONESA-N 402.443 3.975 0 1 HHAF CC(=CC=CC=CC=C[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C)[C@@H]1O[C@@H](C)C=C[C@]1(C)O 2356422555 PZGCPRNZYVNMNV-ZNGDILGOSA-N 412.526 3.853 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)C[C@@H](O)[C@@H](O)C(C)(C)O 2356665866 PWGFIVDGCMQGCD-NFBKMPQASA-N 416.514 3.727 0 1 HHAF CC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]21C 2356698658 JALMRWUWAKQOMD-DAVBRLECSA-N 402.487 3.798 0 1 HHAF COc1cccc(/C=C2/Sc3ccc(C(=O)NCCN4CCCC4)cc3NC2=O)c1 3060764 IGLRLHKEXKPSPL-KGENOOAVSA-N 423.538 3.606 0 3 HHAF CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 4759974 MWLHLHGTQWVLGE-GESALYCCSA-N 402.516 3.591 0 3 HHAF O=C(O)c1cccc2c1C(=O)c1ccc(-c3ccc(F)cc3F)cc1S2(=O)=O 36384298 HKMZJAPYMLXGRI-UHFFFAOYSA-N 400.358 3.707 0 3 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 4078085 MGTPSJHVEXCIRP-FYYLOGMGSA-N 421.472 3.935 0 1 HHAF COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CO)o2)ccc1-c1cocn1 13490419 SHAJEXGBUPQULB-UHFFFAOYSA-N 420.425 3.704 0 1 HHAF CN(C)CCCN(CCCCNC(=O)c1ccccc1)C(=O)/C=C/c1ccccc1 14712787 VMZGZQGCIBFDJR-WUKNDPDISA-N 407.558 3.690 0 1 HHAF Oc1c2c(nc3nc(NCc4ccc(OCc5ccccc5)cc4)nn13)CCCC2 15668944 INQZEUZFNFYALW-UHFFFAOYSA-N 401.470 3.900 0 1 HHAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)N21 16042682 ZFTOPAQPVNBFRM-QGZVFWFLSA-N 403.438 3.568 0 1 HHAF biogenic N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccs3)ccc2=O)cc1 25434743 NKQVZWNYGKEJMY-AEFFLSMTSA-N 401.491 3.708 0 1 HHAF biogenic CC(C)CNC(=O)c1cnc(NCC[C@@H]2CCCN2C)nc1NCC1CCCCC1 45357499 MRUAOWJLVZLNFG-IBGZPJMESA-N 416.614 3.751 0 1 HHAF COc1cc(OC)cc(Oc2cc(NCCc3ccc(OC)c(OC)c3)ncn2)c1 82067631 YKHNHTYLPZASEA-UHFFFAOYSA-N 411.458 3.958 0 1 HHAF COc1cc2nc(NCCCCO)nc(NCCc3ccc(F)cc3)c2cc1OC 82130516 IFFAUCZUSXCYTG-UHFFFAOYSA-N 414.481 3.625 0 1 HHAF CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196343 AIKSMGMEVJKESX-LBPRGKRZSA-N 424.467 3.875 0 1 HHAF O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 82204583 YEYPGVOWCVDILT-UHFFFAOYSA-N 404.514 3.629 0 1 HHAF COc1ccc(-n2nc(C(=O)Nc3ccncc3)cc2-c2ccc(Cl)cc2)nn1 96928103 LSJYUCSUBUMDFW-UHFFFAOYSA-N 406.833 3.639 0 1 HHAF NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 114593553 CFUKJOSPOUYOEC-LJQANCHMSA-N 418.371 3.684 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc(OCC4CC4)ncc3F)C2)cc1 169709289 KGXZVBSJDWJHES-YWZLYKJASA-N 413.493 3.864 0 1 HHAF CC(C)(C)COc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2 299828693 RZWUVNLTQGLJCA-QHCPKHFHSA-N 417.469 3.658 0 1 HHAF O[C@@H]1C[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 586902697 LZERBHJACBMEMD-MWLCHTKSSA-N 411.630 3.785 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(OC(C)C)cc2[nH]1 586965542 RAUZSAHYPHPAAB-UHFFFAOYSA-N 411.535 3.807 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2c(F)cc(Br)cc2[nH]1)C(F)(F)F 587127535 WCVSSDGYHSEKPA-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF COC(=O)N(C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587568388 CFHQYUHYHXWUMM-UXHICEINSA-N 405.406 3.995 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587582614 QFHJYAJBZKUFMB-UTSWGJQUSA-N 419.481 3.849 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587722808 SYWKVKGVMPNZLN-RBHXEPJQSA-N 402.258 3.981 0 1 HHAF COc1ccc(OCC(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587788864 AHNNFEDQKSBAFB-APBUJDDRSA-N 424.266 3.684 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2cc(F)ccc2F)(C(F)(F)F)N1 963223475 AWQCFHONHTWSFZ-IEBWSBKVSA-N 408.326 3.918 0 1 HHAF COc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1CN1CCCCC1 963513119 YPOURJSQXCGQMM-SQJMNOBHSA-N 424.541 3.558 0 1 HHAF CCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772643304 MROKTUUFAWVTEF-UHFFFAOYSA-N 401.555 3.780 0 1 HHAF O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 1857656435 ZKEUFSFPGJUPGF-OALUTQOASA-N 423.582 3.755 0 1 HHAF CCC[C@@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OCn2cc3cc[nH]c3c2)c1 2356359591 NZVYQXWYPUMYQY-UYAOXDASSA-N 414.502 3.515 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](COC(=O)CCC(=O)O)[C@]2(C)CC[C@H](C)CCO 2356731161 DQBYZULBDHLLAH-CCXUQAHUSA-N 424.578 3.943 0 1 HHAF CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)c1 61927533 RFRGSTRPXCHHFB-OAQYLSRUSA-N 402.406 3.622 0 3 HHAF O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 205229284 SYWUCFSBFUURBZ-VXKWHMMOSA-N 420.490 3.903 0 3 HHAF O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 3928070 CGEIKXUPHBHCKZ-BPFVEMAFSA-N 413.901 3.732 0 1 HHAF COC(=O)[C@H](O)CC(C)=CCC[C@H](C)C=CC=C(C)CCCC1=CC(=O)O[C@H]1O 2356434068 CXIXHKABKDGPQF-BSLALVQMSA-N 406.519 3.747 0 1 HHAF O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)n1 103247955 KZAZEXACXJEJFC-SJLPKXTDSA-N 401.894 3.619 0 1 HHAF CCNC[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103202034 BMXYLIMKTASGAA-LJQANCHMSA-N 407.301 3.875 0 1 HHAF O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 116186182 SOZAGVANEQOVMB-LJQANCHMSA-N 423.436 3.879 0 1 HHAF COC(=O)CC1=CN2C(=O)c3cc(OC)c(OCc4ccccc4)cc3N=C[C@@H]2C1 29547201 RFDMTZYZYXIADU-KRWDZBQOSA-N 406.438 3.652 0 1 HHAF C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1)c1ccncc1 28525195 WMBWNWMIRWLYIQ-AWEZNQCLSA-N 404.449 3.555 0 1 HHAF O=C(Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1cccnc1 29398804 DLOCPMYYXWSSHZ-UHFFFAOYSA-N 420.266 3.969 0 1 HHAF CC[C@H](C)[C@@H]1C=C[C@@H]2[C@H](O)[C@H](OC(=O)C=C(C)CC(=O)O)C[C@H](C)[C@@H]2[C@@]1(C)C(C)=O 2356573231 FUTZVCABGNACKX-STOPYIFBSA-N 420.546 3.780 0 1 HHAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCCCCn1cnc2ccccc2c1=O 2356588825 IUAHIFOJXGFEPE-REWPJTCUSA-N 424.589 3.680 0 1 HHAF C[C@]12CC[C@@H](OC(=O)Nc3cccc(F)c3)[C@](C)(CO)[C@@H]1CC[C@H]1OC(=O)C[C@H]12 2356816918 DFKIWXJNPPNXOP-GARQETNWSA-N 405.466 3.883 0 1 HHAF CCCCn1nnnc1[C@H](CCSC)N1CCN(C/C=C/c2ccccc2)CC1 72134250 ZAVPZANOXMPZMP-MAIVGLDJSA-N 414.623 3.598 0 3 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820954 SRNRRBCBKPAPJF-VJXNACNUSA-N 406.563 3.657 0 1 HHAF Cn1cc(N2C(=O)c3nn(C4CC4)cc3[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O 220400156 RQSRLTLIMDDPDM-SFHVURJKSA-N 415.280 3.973 0 1 HHAF CC(C)(C)OC(=O)NCc1cc(F)ccc1/C=C/S(=O)(=O)NCc1ccccc1 96020290 BLHJMLXENXOMSV-VAWYXSNFSA-N 420.506 3.941 0 3 HHAF Cc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(-c3cnn(C)c3)ccc12 653729319 LJEFFXUGINDTNG-UHFFFAOYSA-N 400.438 3.931 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(N)c(N)cc3[nH]2)c1 587048528 JOQCVUZHVGFABV-UHFFFAOYSA-N 414.897 3.691 0 1 HHAF C[C@@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605512 DBQFNSWKAKYSNE-KNQAVFIVSA-N 410.447 3.586 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587743027 CIIWENJEDHQLOT-OVWNDWIMSA-N 405.315 3.711 0 1 HHAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CC3OCCO3)[nH]c12 586909214 UTNLTRSFYICUJS-UHFFFAOYSA-N 409.339 3.889 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)NCc1ccc(Cl)cc1 587871265 RLBNSTYKVCHZBU-UHFFFAOYSA-N 401.825 3.698 0 1 HHAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)C(=O)N(C)C 587387564 QCESRZGFQLFIJT-VBKZILBWSA-N 412.486 3.538 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586974542 VEHDZSKTAKIUCZ-LJQANCHMSA-N 409.490 3.998 0 1 HHAF COc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1OC 587019290 JOKYNJHZUVKPTK-UHFFFAOYSA-N 410.455 3.585 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 587125881 HGTXXMVEIBVXAL-IMTBSYHQSA-N 401.190 3.891 0 1 HHAF CC[C@H](c1nc2cc(F)c(F)cc2[nH]1)n1cc(I)c(C)n1 587184573 CRFUJTMWIJRISL-CYBMUJFWSA-N 402.186 3.950 0 1 HHAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O 587597178 UDMSSCAVRVSTHR-XXBNENTESA-N 422.389 3.567 0 1 HHAF CCOC(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587778885 ONPMYFWIDITDHC-CWTRNNRKSA-N 407.283 3.714 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1 587198980 UDGLIIQWXCKWFZ-IBGZPJMESA-N 402.520 3.631 0 1 HHAF CC(C)c1nn(C)c2c1[C@](CCC(=O)O)(c1cccc(Br)c1)NCC2 962920502 MYKCXSLOTRIGJY-IBGZPJMESA-N 406.324 3.560 0 1 HHAF CCOC(=O)[C@]1(c2cccnc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962951311 GCPBHZTUBYYFMA-OAQYLSRUSA-N 420.431 3.559 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1sccc1C=O)N(C(=O)c1ccccc1N)CC2 963138506 GQYDPKONHOFPHD-NRFANRHFSA-N 422.506 3.948 0 1 HHAF Cc1ccc(F)c(S(=O)(=O)NCc2cc(CC(C)C)n(-c3ccccc3)n2)c1 1772645752 HKEABWOTSNUXSN-UHFFFAOYSA-N 401.507 3.997 0 1 HHAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc(OC)c(OC)c1)CCCC3 169686317 IFHDKWFRCUTUOD-UXHICEINSA-N 423.513 3.977 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(OC)cc2)c1 169707061 LBIUOUFQTDEYFG-GOSISDBHSA-N 418.497 3.575 0 1 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2cccc(Cl)c2)nn1 203462852 TXQQKLUPOMVAIY-UHFFFAOYSA-N 409.877 3.930 0 3 HHAF COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OC[C@@H]1CNCCO1 204972805 JEOWLIZJAIVOKN-HNNXBMFYSA-N 414.893 3.711 0 1 HHAF COc1cc(/C=C2\CCCN(C(=O)/C=C/c3ccccc3O)C2=O)cc(OC)c1OC 1857595955 YDCWDPYTTKDZIH-OAVRUSMPSA-N 423.465 3.664 0 1 HHAF COC(=O)c1cc2c(N)c(C(=O)c3cc(C#N)c(SC)nc3C)sc2nc1C 3201688 IDHMNOQQZQUAQT-UHFFFAOYSA-N 412.496 3.502 0 1 HHAF C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356344072 YNSDIAWLFHNHQN-JTQLQIEISA-N 414.801 3.913 0 1 HHAF O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C[C@H]2COc3ccc(F)cc3O2)CC1 27885431 DDLQBEASWPPPGP-INIZCTEOSA-N 417.868 3.599 0 1 HHAF O=C(NCCCc1ccncc1)N(CCCN1CCOCC1)CCC1CCCCC1 58603201 IGYOSDJKGRKNRV-UHFFFAOYSA-N 416.610 3.719 0 1 HHAF CC(C)C[C@@H](NC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 28818174 PMHNFWJIPVUVTO-RYRKJORJSA-N 422.547 3.653 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)C[C@H]3CC[C@H](CO)[C@@](N)(C2)[C@H]31 2356558962 RVTXERZIRMACGH-UMBJBQNSSA-N 413.606 3.517 0 1 HHAF O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 26736026 AHATYLQPHSYSCL-WOJGMQOQSA-N 411.460 3.971 0 1 HHAF CC(=O)OC[C@]1(C)[C@H](O)[C@H](OC(C)=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@H]12 2356812574 BKDBTIRJFPQKQL-GMYMIRISSA-N 418.530 3.782 0 1 HHAF Cc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc(C(F)(F)F)cc3)C(=O)O2)cc1 40897251 RTIZMKSGLCTBFX-OIOSCTRGSA-N 420.383 3.932 0 1 HHAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82221895 OXUZGRMJPJJDKD-UHFFFAOYSA-N 424.936 3.982 0 1 HHAF O[C@](CNCc1ccc2[nH]ccc2c1)(Cn1cncn1)c1ccc(Cl)cc1Cl 45254926 QRTMWIAVQSJPCD-HXUWFJFHSA-N 416.312 3.744 0 1 HHAF CC[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 96941634 WNAOSQFAZFLTLM-QCBQRGATSA-N 420.532 3.682 0 1 HHAF COc1c(CC(=O)O)c(C)nn1-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 96270538 QSNPEKBNEFKQKU-UXHICEINSA-N 405.454 3.559 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnn2)N1 587759654 LTCHBGRNFRGOKM-BLVKFPJESA-N 401.283 3.967 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncc(Br)c2[nH]1 586972988 LBGQCSCOIWYWPW-HNNXBMFYSA-N 405.321 3.831 0 1 HHAF O=S(=O)(NCCc1nc2ccc(F)c(F)c2[nH]1)c1c(Cl)cccc1Cl 586942200 BUKIPNSNNGUEID-UHFFFAOYSA-N 406.241 3.669 0 1 HHAF NC(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027878 UANWHHIFDKETLI-WBAXXEDZSA-N 408.527 3.798 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCOCC3)s2)N1 587853003 KFEMEVFKUSOXMP-QLJPJBMISA-N 412.328 3.505 0 1 HHAF C[C@@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518341 GFQVSYISGBTTIQ-URXFXBBRSA-N 404.466 3.651 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 587198032 DVFWWHKCSWZYTO-UHFFFAOYSA-N 423.274 3.593 0 1 HHAF CCOC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587768132 CNVYQZBHPUPJHX-NSPYISDASA-N 407.283 3.958 0 1 HHAF CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 587381331 HEQRZUUQMUREQU-FQEVSTJZSA-N 411.351 3.948 0 1 HHAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586930900 VETZYKWHULJQTD-UHFFFAOYSA-N 419.812 3.770 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(CCO)cc3[nH]2)cc1 586948310 GTTMLZIJKCFPBU-UHFFFAOYSA-N 407.495 3.874 0 1 HHAF C[C@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528366 YCTADDZYQQQGHO-XMMPIXPASA-N 403.434 3.986 0 1 HHAF CS(=O)(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914382 FNUKBGMPFXGHTD-UHFFFAOYSA-N 408.435 3.735 0 1 HHAF C=CN1CC[C@H]([C@@]2(c3ccncc3)NC3(CC3)Cc3ccc(Br)cc32)C1=O 961614375 KXURXRZHTALFIU-PGRDOPGGSA-N 424.342 3.758 0 1 HHAF COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)NCCc2cc3cccc(OC)c3nc21 963052712 GPBDXJFPQSVDDR-HSZRJFAPSA-N 424.884 3.684 0 1 HHAF COc1cc([C@@H]2NCCc3c(C(=O)O)cccc32)ccc1OCC(=O)c1ccccc1 963136578 ZOYXINDFROTNDA-DEOSSOPVSA-N 417.461 3.890 0 1 HHAF COc1cc(C2=CCCc3c2ccc(OC)c3OP(=O)(O)O)cc(OC)c1OC 198265932 OBLOLPISIXMHLW-UHFFFAOYSA-N 422.370 3.570 0 1 HHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1F 13588346 GGBLQEBIIHNPPN-UHFFFAOYSA-N 415.368 3.504 0 1 HHAF CCCCc1ncc(CO)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1 13832822 KPARIZWCATXKIK-UHFFFAOYSA-N 415.501 3.771 0 1 HHAF CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1 150102070 NHWXZGIAUNNFIB-UHFFFAOYSA-N 402.413 3.741 0 1 HHAF Clc1cnc(NC[C@@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1 169703834 YGZJTPRFLHVRDC-INIZCTEOSA-N 401.942 3.799 0 1 HHAF CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1 206887792 ZDVFZRUEEUXZRL-HNNXBMFYSA-N 420.448 3.550 0 1 HHAF O=C1N(c2ccc(C(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc(F)cc1 1857763619 GWYLJLKVVXHGKX-UHFFFAOYSA-N 402.369 3.866 0 1 HHAF CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(F)cc1 13588292 OIYNYPJATHVIMQ-YLJYHZDGSA-N 406.498 3.583 0 1 HHAF CCCCOc1c(OC)cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1OC 13863591 KSXSISUEFGBJAG-LJQANCHMSA-N 400.519 3.915 0 1 HHAF Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 15879206 PUKPIHHQWSEWAO-LBTNJELSSA-N 422.522 3.645 0 1 HHAF CN(C)CCN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289346 SXQLAYKKOJLZRB-UHFFFAOYSA-N 401.312 3.529 0 1 HHAF NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2cc(-c3ccccc3)cs2)cc1 89469596 ADDJDJQFPKUMAF-SFHVURJKSA-N 408.479 3.531 0 1 HHAF in-vitro COc1ccc2c(c1)-c1ccccc1CN(S(=O)(=O)c1ccc(C(=O)O)cc1)C2 115731253 JCLVGASOVFXYMD-UHFFFAOYSA-N 409.463 3.765 0 1 HHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(N2CCOCC2)cc1 116229971 VBZITIJQDVOHQY-UHFFFAOYSA-N 406.486 3.676 0 1 HHAF COc1ncnc(OC)c1[C@@H]1CCCC(=O)N1Cc1csc(-c2ccccc2)n1 167732881 YTVDRUVHMQAEOH-INIZCTEOSA-N 410.499 3.871 0 1 HHAF O=C(Cn1cc(Cc2c(Br)[nH]c3ccccc23)nn1)Nc1ccccc1 169328205 VTARQPVPJZVSCP-UHFFFAOYSA-N 410.275 3.751 0 1 HHAF COC(=O)C(=C/c1ccc(OC)cc1)/C(=C\c1ccc(OC)c(OC)c1)C(=O)OC 169336088 DZSKDBWTXGMINH-KLCVKJMQSA-N 412.438 3.525 0 1 HHAF CCCCC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 201955440 WHBVQJZRIGLEOT-AUSIDOKSSA-N 404.599 3.691 0 1 HHAF CC1=C(c2ccc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3c2)NNC(=O)C1 586981411 BQOHJMBZNDYYKK-UHFFFAOYSA-N 411.259 3.560 0 1 HHAF O=C(CSCc1nc2c(Cl)ncnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113387 IUOVLPWWNOMTKC-UHFFFAOYSA-N 401.801 3.897 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238847 GTDIIOMGHAUZBV-DHZVRSILSA-N 415.490 3.816 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)cc(Cl)cc21 587374480 YGUYAAMSBSZZJK-QGZVFWFLSA-N 407.651 3.806 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)ccnc1Cl)O2 587386712 LOYTXYHTOJLWIH-LBPRGKRZSA-N 414.630 3.937 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O 587449396 AGQDPYICYXUACW-DLPLYFIVSA-N 418.474 3.721 0 1 HHAF C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583091 QCXQBUOCGZSNRK-GCMZMWIBSA-N 409.482 3.613 0 1 HHAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 587788896 AJAKTSSUTGEPAD-GIGQVBGESA-N 424.266 3.684 0 1 HHAF COc1ccc2c(c1OC)[C@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@@H](C)C2 962576991 VCOFRTYEVSODHB-LMKMVOKYSA-N 422.525 3.819 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CCC2OCCCO2)(c2ccc(Cl)cc2)N1 962907077 SCXRBOVZHJQJLW-UGKGYDQZSA-N 419.880 3.865 0 1 HHAF Cc1ccccc1C(=O)c1ccc(C(=O)NC(=O)NCCc2ccc(O)cc2)cc1 1857773766 PUUVSDTWKFXNRA-UHFFFAOYSA-N 402.450 3.614 0 1 HHAF COC(=O)[C@@H]1CCC2=C(CC[C@H](C)[C@]23C[C@H](c2ccoc2)OC3=O)[C@]1(C)C(=O)OC 2356741790 RFJWUDNEMAPOJK-WIBKXQDXSA-N 416.470 3.743 0 1 HHAF CC(C)CN1CCC[C@H](O)[C@@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 2356848981 PKHBNGYRFBALDZ-GOTSBHOMSA-N 414.521 3.616 0 1 HHAF CC(C)CCCCCCC[C@]1(O)C=C[C@H]2N(CCCCCNC(=N)N)CCCN21 2356849228 PUAXGUFEEOLOPY-GMAHTHKFSA-N 407.647 3.619 0 1 HHAF CCOc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C 6720612 ARZUSWIEIZCCJP-UHFFFAOYSA-N 412.515 3.796 0 3 HHAF COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(Cl)c(F)c3)CC2)c1 12463641 YJZSZOOXDVEGHE-UHFFFAOYSA-N 420.912 3.899 0 3 HHAF C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccc(C(F)(F)F)c1 95567918 HAYAJECDSZLULG-HXUWFJFHSA-N 422.472 3.856 0 3 HHAF CCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCn2cccn2)CC1 603299 KVXYDTDONLDIAL-UHFFFAOYSA-N 403.530 3.713 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c1 772264 IHTRSECRVIKUEF-FPOVZHCZSA-N 414.889 3.689 0 1 HHAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(C(=O)N(C)C)cc3)c2c1 4264953 JIHMYQMFWAOMSG-UHFFFAOYSA-N 415.497 3.990 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC 4310523 YSQNGPQWKLZHPF-LPTQZCDUSA-N 406.523 3.605 0 1 HHAF O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1CCN1CCOCC1 23212034 LYZJLIKMMMQQJU-UHFFFAOYSA-N 415.946 3.674 0 1 HHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)NCc1ccc(F)cc1)C2 25203704 XYRGYSNAQUQDPX-CRAIPNDOSA-N 413.489 3.963 0 1 HHAF biogenic Nc1nc(N)c2c(Cl)c(NC(=O)COc3ccc(Cl)c(Cl)c3)ccc2n1 25969988 RKXUFJPFCFLQDP-UHFFFAOYSA-N 412.664 3.772 0 1 HHAF Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Cl)c3)c12 27980620 QOCDJIRKMNRKJL-UHFFFAOYSA-N 418.888 3.826 0 1 HHAF COCc1ccc2c(C3=C(c4cn(C)c5ccc(F)cc45)C(=O)NC3=O)coc2c1 40918302 GQQMDLYMWXOHAK-UHFFFAOYSA-N 404.397 3.777 0 1 HHAF CC[C@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2OC)C1=O 43743263 OILMJPHJXOZRIU-PFTWBPNJSA-N 417.509 3.660 0 1 HHAF biogenic COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@@H](C)[C@@H](C)C2 49783666 FQZMTUCBAKMGJM-LDLUMPKVSA-N 404.459 3.661 0 1 HHAF biogenic COc1cc(C(=O)c2ccc(-c3ccco3)cc2-n2cncn2)cc(OC)c1OC 64564732 OTTFFTQEJQEIRL-UHFFFAOYSA-N 405.410 3.784 0 1 HHAF CCc1ccc(C(=O)NC[C@H]2CN(c3cc(C)nc4ccc(OC)cc34)C(=O)O2)cc1 72120405 JHNANLPSADWOBQ-IBGZPJMESA-N 419.481 3.869 0 1 HHAF O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cccs2)n1 82075372 WYOJWUXWCILALH-KRWDZBQOSA-N 421.478 3.654 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2 82212221 NHTXVYCSBKMPRQ-GFCCVEGCSA-N 411.333 3.810 0 1 HHAF COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H](N)C1 95552068 HJQJTLZUAGIKTI-CYBMUJFWSA-N 424.444 3.722 0 1 HHAF COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@@H]21 95894765 WTXSGWSQTIWVGJ-JBRSBNLGSA-N 420.553 3.951 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CCC[C@@H]2C)c1 118685494 XFVPZBSOZQCWGS-ZWKOTPCHSA-N 423.492 3.820 0 1 HHAF N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1 142222469 KUAWAPSIDJAYOE-DNQXCXABSA-N 412.599 3.548 0 1 HHAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@@H](O)c3ccc(O)cc3)CC2)cc1 169327183 LPWKWKIQIQVZNN-FTJBHMTQSA-N 418.537 3.993 0 1 HHAF CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@@H](c2ccc[nH]2)[C@H]1C(=O)Nc1ccccn1 169724998 LELYHAMBMHVVSC-FPOVZHCZSA-N 414.469 3.530 0 1 HHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 586882507 WLWLEPPOYAVWMT-UHFFFAOYSA-N 405.479 3.725 0 1 HHAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 586916019 UOCYHFCFHSOUFF-UHFFFAOYSA-N 403.891 3.911 0 1 HHAF CN(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929741 ZYWCJLQPUXSPNC-UHFFFAOYSA-N 419.812 3.936 0 1 HHAF COc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1C 586941828 OSDMNKPDNVYZBH-UHFFFAOYSA-N 424.526 3.578 0 1 HHAF CCn1cc(Br)c(Cc2nc3c(Br)cnc(Cl)c3[nH]2)n1 587000458 KDMVLOQKQOIOFW-UHFFFAOYSA-N 419.508 3.944 0 1 HHAF C[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128314 JHSZKNHMUFYHMT-ZCFIWIBFSA-N 414.754 3.873 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@@H]2CCCO[C@H]2C1(C)C 587239955 PKKAMNPPZXBJAA-IPTDYSPRSA-N 415.490 3.847 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)O2 587397285 ZHDZORCSGNXFSY-XAEMIUIASA-N 416.518 3.717 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O 587514487 ADMPNFDEIXRTPH-GAJHUEQPSA-N 415.486 3.754 0 1 HHAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CS(C)(=O)=O 587533764 VDIRYIKUGMSDAD-HSZRJFAPSA-N 414.523 3.999 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587725321 PPQDSMIWKKXPBR-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587742618 AXSGPSQXSXAEAS-DGIBIBHMSA-N 405.267 3.567 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 587745509 JSWGBUYQKNVRBF-GIGQVBGESA-N 405.315 3.711 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 587828777 PQFLRIZDSWJSAO-WYRIXSBYSA-N 406.251 3.675 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc4c(cc32)OCO4)N1 587836776 BNTNQFMUHCWNPR-DGIBIBHMSA-N 406.251 3.877 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)CN1CCOCC1 587866047 CDLUHSBMFNNFFT-AWEZNQCLSA-N 411.424 3.576 0 1 HHAF C[C@H]1CCc2cc(C(=O)N(C)CC(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O 653630342 GRGOYLVPZGFXOI-LBPRGKRZSA-N 422.403 3.714 0 1 HHAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN(C)C 653842814 BMQMLUCMERSAAN-UHFFFAOYSA-N 400.454 3.866 0 1 HHAF COC(=O)c1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)n(C)c1C 962650801 ZYWLOBPMJRBUPW-PXDATVDWSA-N 415.537 3.956 0 1 HHAF C[C@H](N)CC(=O)Nc1nc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)cs1 962666887 TVTLDXISEJVQNA-NPMXOYFQSA-N 406.555 3.895 0 1 HHAF CCCn1cc([C@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1 963138933 IUCLHCXENUWICV-FOIQADDNSA-N 420.535 3.568 0 1 HHAF CCOC(=O)C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCCCC1 2356827693 IOMQQFWDBUFLMA-YADHBBJMSA-N 400.563 3.523 0 1 HHAF COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 763099 VEZJWRWHMYIMSQ-OAQYLSRUSA-N 410.514 3.560 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSCCO 4029847 WKAQQKOGFMXBAK-AMHUQJERSA-N 406.588 3.544 0 1 HHAF biogenic Cc1cc(=O)n(CC(=O)N[C@H](C)c2ccccc2)c2c1c(C)nn2-c1cccc(F)c1 6916344 SGHCFHHCVZLEEO-MRXNPFEDSA-N 418.472 3.821 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CC(=O)NC[C@@H]1CCCO1)[C@@H]2O 13681916 UPLQUPWXNBLNQX-ZKNIYETDSA-N 413.558 3.521 0 1 HHAF CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C(C)C)CC(=O)N12 15954989 XVHDBELEXDOSCA-YKSBVNFPSA-N 417.509 3.660 0 1 HHAF biogenic CCCCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N(CC)CC)C2)cc1 26821064 GLPMFMBNOSYHHW-GOSISDBHSA-N 403.523 3.756 0 1 HHAF CC(=O)Nc1ccc(CNCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 28456330 ZPEJCCPLMWOAMA-UHFFFAOYSA-N 408.424 3.965 0 1 HHAF Cc1cc(CCN2CCN(c3noc4ccccc34)CC2)c2c(c1)[C@H](C)CC(=O)N2 28527190 ZCAJFFDMFGAKNN-QGZVFWFLSA-N 404.514 3.947 0 1 HHAF CCOC(=O)c1cccc(CO[C@@H](COCc2ccc(OC)cc2)Cn2ccnc2)c1 29335717 BDHLHHXFGQPOEN-HSZRJFAPSA-N 424.497 3.871 0 1 HHAF Cc1cc2c(o1)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]2CN1CC[C@H](O)C1 34410880 SNCWTLUHFUIVAC-KXBFYZLASA-N 423.340 3.630 0 1 HHAF Cc1nsc(-c2nccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)n1 40465923 BVMDPUIAQYZXIX-UHFFFAOYSA-N 406.437 3.649 0 1 HHAF CC(C)C[C@H](NC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 40587798 PMHNFWJIPVUVTO-LZLYRXPVSA-N 422.547 3.653 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccn2)C1 68248066 QFABBPVMYKHOQR-UHFFFAOYSA-N 407.783 3.668 0 1 HHAF Cn1cc2c(nc(NC(=O)c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1 84466380 RJRNIYNYPSVEPA-UHFFFAOYSA-N 403.833 3.584 0 1 HHAF COc1cccc(OC)c1-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 95595708 OLFUNOQBJGHZGM-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cncc5ccccc45)ccc31)[C@H]1CC[C@@H](C2)N1 96175285 YIZXRNQFEZFWPC-HNAYVOBHSA-N 403.507 3.909 0 1 HHAF O=C(O)[C@@H](c1coc2cc(O)ccc2c1=O)C(c1ccc(O)cc1)c1ccc(O)cc1 136883800 MPBYOMBHFPPOCP-QFIPXVFZSA-N 418.401 3.910 0 1 HHAF CC(=O)N(C)CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 143335892 YYCQYSMOMIUNEW-OAQYLSRUSA-N 415.415 3.807 0 1 HHAF COC(=O)c1cc(Br)cnc1N1CCC(CNC2CCCCC2)CC1 169304474 KYIARVHKBVXESL-UHFFFAOYSA-N 410.356 3.769 0 1 HHAF O=C(Cc1sc(N2CCOCC2)nc1O)Nc1ccc(Cl)c(C(F)(F)F)c1 169691448 YFEGYOGUKFGNGO-UHFFFAOYSA-N 421.828 3.539 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2OC)c1 169707298 FKAWBVLBBCRZNL-SFHVURJKSA-N 418.497 3.575 0 1 HHAF O=c1n(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)cc(O)n1C1CC1 169729180 HPMXBPHXNFHVKW-UHFFFAOYSA-N 404.514 3.787 0 1 HHAF O=Nc1c([C@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccc(-c3nnn[nH]3)cc12 169729495 IXRJKNXPONACSK-LBPRGKRZSA-N 413.319 3.849 0 1 HHAF COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(C(C)(C)O)c(OC)c2)n1 206750503 GOCKNBZHVRMBGN-UHFFFAOYSA-N 412.465 3.577 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1 207194412 AOCWOYCBXWQEQH-UHFFFAOYSA-N 404.319 3.565 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F 216200458 TXCVJBLHIKCNRG-UHFFFAOYSA-N 405.438 3.597 0 1 HHAF O[C@@H](COc1cccc(-c2ccc3c(c2)OCCO3)c1)CN1CCc2ccccc2C1 218390150 JBSRXEDGGPIDOA-HSZRJFAPSA-N 417.505 3.923 0 1 HHAF NCCOc1ccc(/C(=C(\Cn2cncn2)c2ccccc2)c2ccc(O)cc2)cc1 299855846 BRWXOOIUQMUMHI-OCOZRVBESA-N 412.493 3.981 0 1 HHAF COc1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1OC 587000731 TWNNQFNZFJIJGZ-UHFFFAOYSA-N 417.215 3.822 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc12 587036887 BDLYZHXNXSLNNJ-ZCFIWIBFSA-N 411.384 3.867 0 1 HHAF COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 587143841 LUXCSIYAHYTMEN-UHFFFAOYSA-N 413.796 3.550 0 1 HHAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1 587169658 GDZTWLCWVJHPDC-QGZVFWFLSA-N 416.865 3.818 0 1 HHAF N[C@@H](Cc1ccc(I)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587183886 KRNOGKQVCJTBTR-JTQLQIEISA-N 417.172 3.827 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1NCc1ccccc1)[C@@H](C2)C3=O 587422808 UWBMTRVSBYHYMZ-MGPUTAFESA-N 407.857 4.239 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4noc(CN5CCCC5)n4)cc1)[C@@H](C2)C3=O 587441654 GSVJQDVEESESTR-MBSDFSHPSA-N 417.465 3.830 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(O)[nH]c3ccccc13)CC2=O 587484378 OFAYAIDIJVURDW-HSZRJFAPSA-N 409.438 3.955 0 1 HHAF Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587580801 ZJGCCAVVRYKIBT-RDPSFJRHSA-N 415.401 3.826 0 1 HHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nn2cnnc2c2ccccc12 587662008 WEXZEGJNOGWJAU-UHFFFAOYSA-N 408.396 3.783 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cc(Br)cn2)N1 587682939 MLDRESZTEMTIDY-VFZGTOFNSA-N 417.120 3.997 0 1 HHAF CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587761707 CKPBUNJKHKOJBZ-BLVKFPJESA-N 424.314 3.536 0 1 HHAF O=C(O)/C=C/C=C/c1nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[nH]1 587969407 SBCSYXLBLJVVSH-FCXRPNKRSA-N 403.847 3.671 0 1 HHAF CC(C)c1nn(C)c2c1[C@@]1(CC(C)(C)CC3=C1[C@]1(C)CC(=O)N(C4CC4)[C@@H]1O3)NCC2 962915527 AGLLTNKVMSRRJU-PZUNEJSGSA-N 424.589 3.716 0 1 HHAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCC=C2 1772605211 JHOAHJSSLXAKML-UHFFFAOYSA-N 406.555 3.548 0 1 HHAF CCCOc1ccc(-c2cc(OCCN3CCNCC3)c3cccc(OC)c3n2)cc1 1857745290 ZUHPYWZPEVNMCG-UHFFFAOYSA-N 421.541 3.983 0 1 HHAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1C 2356443676 UBVIKYYTVFHBGN-QODMOLNLSA-N 416.470 3.810 0 1 HHAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@H]2CN[C@H]1CCCC12CCCC2 2356690586 DFIDXMCGQSQTCP-WTLQBURLSA-N 406.570 3.862 0 1 HHAF O=C(NC1CC1)C1=C[C@H](c2c[nH]c3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 13657297 RGPAKECLYCCPHA-MHECFPHRSA-N 418.493 3.870 0 3 HHAF CCOC(=O)CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 38142343 FFPFPZSCNMVKJQ-WVSMJXTDSA-N 420.303 3.699 0 3 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)[C@H]1CC[C@H](C2)N1 100632991 BEXCKJYGXSFUQW-FZKQIMNGSA-N 409.486 3.981 0 1 HHAF O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 104012771 BTWNIZXDKWTDNT-SJLPKXTDSA-N 416.403 3.885 0 3 HHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CCC(C(N)=O)CC3)C=C2C)o1 2356300326 HLXGWSOHXLNXQT-XUVXKRRUSA-N 402.583 3.617 0 1 HHAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356810799 BBQNKFCDPDYHLC-KRFDFMFVSA-N 422.606 3.681 0 1 HHAF C[C@H]1Cn2c(nnc2-c2ncco2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219161048 QPQDDQHEPCVDSG-VIFPVBQESA-N 411.771 3.650 0 1 HHAF O=C(Nc1nc2c(s1)COCC2)N1CCC(c2noc3ccc(F)cc23)CC1 218630811 BUZUDCIRABIRLU-UHFFFAOYSA-N 402.451 3.908 0 1 HHAF COCCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 36159985 SHDNMDIQJRONIG-FCHUYYIVSA-N 419.562 3.585 0 1 HHAF O=C1Cc2c(cccc2N2CCN(C[C@@H]3CCc4[nH]c5ccc(F)cc5c4C3)CC2)N1 45288040 DSVMXCDLDIBCHM-MRXNPFEDSA-N 418.516 3.729 0 1 HHAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CCc1c[nH]c2ccccc12 199397293 IRSYAOXJQJUJFA-XMMPIXPASA-N 419.481 3.501 0 3 HHAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2C)ncn1 145014592 UVKLCGUSVILUHS-UHFFFAOYSA-N 421.545 3.786 0 1 HHAF Cc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(Cl)c1F 653767605 DKIMBNVMKUFBST-WMLDXEAASA-N 401.862 3.813 0 1 HHAF CC(C)(C)c1cc(NC(=O)n2ncc3cc(Oc4ncnc5c4CNC5)ccc32)no1 653837592 DCDWFBLAXRWJIN-UHFFFAOYSA-N 419.445 3.588 0 1 HHAF Cn1ccnc1[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575641 GEBAEYXPSKYVMH-HYBUGGRVSA-N 413.433 3.613 0 1 HHAF CNC(=C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC 587741809 IOVFFFJOPAMTHB-SPLOXXLWSA-N 418.354 3.955 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(SC)cc1)(c1[nH]c(O)nc1C)[C@@H](C2)C3=O 587450559 HMTAYEAXRQDMRK-KSFYIVLOSA-N 408.479 3.845 0 1 HHAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587613273 XVEVNGNZPNNPAJ-UZPHGZDFSA-N 422.433 3.573 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C 587486843 MNMOUSPUMPBMJJ-ANCIUUTRSA-N 417.502 3.847 0 1 HHAF CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)N2NN=NC2=N1 587799365 YEWATQWIAUVPGR-VVUZTWSUSA-N 407.291 3.557 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C3CCN(C)CC3)CC2)N1 587769197 NHFXLIQPSYAPFY-AWEZNQCLSA-N 410.375 3.508 0 1 HHAF C[C@]1(c2cccc(N3CCNC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593151 JNOBXFQEAVUOQH-HYBUGGRVSA-N 416.433 3.799 0 1 HHAF NS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586977540 QNEVVWRDNFXCQE-UHFFFAOYSA-N 421.103 3.947 0 1 HHAF C=C1NC(C)=Cn2nc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc21 587796801 QJRSBUWMHPCUPA-OVWNDWIMSA-N 403.299 3.975 0 1 HHAF CO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963509620 OJHSMFJMYZQYEG-QQKQFIJSSA-N 403.478 3.931 0 1 HHAF COc1c(CC(=O)O)c2ccccc2c(=O)n1Cc1ccc(Br)cc1F 13601442 SPYBVSHLAHIJOJ-UHFFFAOYSA-N 420.234 3.587 0 1 HHAF COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C 4054147 QMWAFKMUJMFCIJ-WMZOPIPTSA-N 403.276 3.638 0 1 HHAF COc1cccc(CNC(=O)CCc2ccc(-n3cnc4cccnc43)cc2)c1OC 6901009 VDZOZJYNSBUYKI-UHFFFAOYSA-N 416.481 3.687 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2)cc1Cl 9490065 UHMSREPIEKGVDP-VUIMYGBESA-N 422.868 3.912 0 1 HHAF CN1CC2(CCN(C[C@H](O)Cc3ccc(Br)cc3)CC2)c2ccccc21 13766738 DOOSVCDCTYOKQL-LJQANCHMSA-N 415.375 3.836 0 1 HHAF COc1cc(C(=O)O[C@@H]2CC(C)=CC(=O)[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O 15052235 AAMGTTAZIKVMCG-VGSGFSFPSA-N 402.487 3.649 0 1 HHAF biogenic Cc1ccc(CNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 36378249 FRAXAVQCOUNARD-MTNREXPMSA-N 400.482 3.782 0 1 HHAF CCc1cc([C@]2(c3cccc(-c4cccnc4F)c3)NC(=N)N(C)C2=O)cc(CC)n1 45355323 FWLPFLWMHMGKPS-DEOSSOPVSA-N 417.488 3.647 0 1 HHAF CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc32)CC1 71294593 HMRUGEAVJFRORJ-UHFFFAOYSA-N 400.530 3.884 0 1 HHAF COc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C[C@H](O)c1cc(OC)c(OC)cc1-2 84604646 HTEYDMOVAVRCBZ-HOTGVXAUSA-N 411.376 3.536 0 1 HHAF COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1 84668411 PSRBWLWUPONHPY-UHFFFAOYSA-N 423.521 3.686 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(CC2CC2)C1 95663705 WJAYNFATKOLMEV-QHCPKHFHSA-N 417.553 3.689 0 1 HHAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 95866674 RUCIPOPFXCQXQT-FCHUYYIVSA-N 410.945 3.681 0 1 HHAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3cncnc3)cc1)C2=O 96286165 VKZNNPWHZJMMBQ-UHFFFAOYSA-N 413.525 3.866 0 1 HHAF COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccnc3)cc2)cc1 100107010 XUCHLZGIWXIVIS-JKHIJQBDSA-N 400.482 3.729 0 1 HHAF Fc1ccc2c(c1)CCN2c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12 103303129 LWJNQMYILRVGSA-UHFFFAOYSA-N 411.387 3.857 0 1 HHAF NC(=O)COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113658301 JDOWLNKLGCBQGB-UHFFFAOYSA-N 412.493 3.870 0 1 HHAF CCc1nn(Cc2cnn(CC)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12 117881721 MWFNPRQEFCHCNY-UHFFFAOYSA-N 413.485 3.763 0 1 HHAF COc1cccc(-n2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)c1 142059353 PQMAWDDODIHUII-HNAYVOBHSA-N 422.489 3.825 0 1 HHAF CC(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(I)cc1 169368457 FCQURNVPSIDFJC-JLXZCIJGSA-N 423.294 3.720 0 1 HHAF CCN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203539122 HTNWJOZFEVRYKV-CQSZACIVSA-N 402.857 3.692 0 1 HHAF C[C@@]1(c2sc(-c3cncnc3)cc2Cl)CS(=O)(=O)C2(CCCCC2)C(N)=N1 207731108 OWTRPCMYHPCVPV-KRWDZBQOSA-N 424.979 3.562 0 1 HHAF CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCCCC1 225223124 XQOHWHYHWARMBX-UHFFFAOYSA-N 424.538 3.733 0 1 HHAF CN(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929021 PGHORYYWFWPQLB-UHFFFAOYSA-N 405.694 3.739 0 1 HHAF O=[S@](CCCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1 586959082 INGZGNATNTZAPR-RUZDIDTESA-N 419.304 3.648 0 1 HHAF CCCn1cnc2cc(-c3nc4c(O)nc(S)nc4[nH]3)cc(Br)c21 587005082 MHSADQCCEBEEMC-UHFFFAOYSA-N 405.281 3.536 0 1 HHAF NC(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027873 UANWHHIFDKETLI-OLMNPRSZSA-N 408.527 3.798 0 1 HHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587175664 XJQCKRAWQIYJJZ-CYBMUJFWSA-N 417.238 3.887 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(Br)c2[nH]1 587193655 CXHATYUKMQFKDG-GFCCVEGCSA-N 415.307 3.982 0 1 HHAF CNC(=O)[C@@H]1C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587234697 IBCRVNPFGPNLBV-VXGBXAGGSA-N 420.366 3.823 0 1 HHAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587259801 IQNIPVFOLHLDIA-LBPRGKRZSA-N 416.325 3.942 0 1 HHAF CN(C)/C=C/[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331602 BDQGABUZYHYSRU-IKQDHGQISA-N 405.429 3.651 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(Br)c1N)[C@@H](C2)C3=O 587414590 WILMKEGLILGRQE-HXPMCKFVSA-N 404.260 3.711 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N1CCCCC1)[C@@H](C2)C3=O 587445370 WDAUIMFPNDGSDV-MHECFPHRSA-N 407.466 3.575 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3C[C@@H](C(=O)O)CC3=O)c1)CC2=O 587474053 CKXHWPHOGDSXCO-LFPIHBKWSA-N 423.465 3.663 0 1 HHAF CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587518598 LVHWVXQGAPVGPS-UUOWRZLLSA-N 413.514 3.781 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](F)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587571245 PUENULFIVYPOAI-PNLZDCPESA-N 415.417 3.681 0 1 HHAF CC(=O)OC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571354 NFAHWQHGGXKOEG-REWPJTCUSA-N 408.381 3.952 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 587846595 UYTLDWCVAUYHAK-BUXKBTBVSA-N 424.335 3.934 0 1 HHAF COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C 1857603255 ACQHAIZGTGISMN-QFIPXVFZSA-N 423.904 3.630 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)[C@H](C)C(=O)N3C)cc1 1857644300 RQPKKSVEMBJZOS-MRXNPFEDSA-N 401.532 3.623 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CN5CCOCC5)CC[C@@]43C)[C@@H]1CCC2=O 1911581521 GFCDUDWWYOFIAW-YMKPZFJOSA-N 417.590 3.842 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@H]1[C@@]1(CCC=CCCCCN[C@H]21)C3 2356466529 JTIJGTARYKLTGJ-ZJSPYRCASA-N 414.634 3.957 0 1 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)c(OC)c1[C@H](O)[C@H](C)[C@H](C)C2=O 2356668779 BEUGPSCQTBNYDU-QLMNROTDSA-N 416.470 3.899 0 1 HHAF O=C(NCc1ccccc1)[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95566839 FWIDBNBUMACXSZ-DEOSSOPVSA-N 400.478 3.508 0 3 HHAF COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=S)CC2 38143388 LWVQZKHUPXTDMD-INIZCTEOSA-N 415.511 3.672 0 1 HHAF O=c1[nH]c2cccc(N3CCN(C[C@@H]4CCc5c([nH]c6ccc(F)cc56)C4)CC3)c2o1 45253086 OBEJISAWFMGQOW-OAHLLOKOSA-N 420.488 3.669 0 1 HHAF CCCCCN1CCN(c2nc(N)nc3sc(-c4ccc(F)cc4)nc23)CC1 66100069 VMNXWHGGIWMLBQ-UHFFFAOYSA-N 400.527 3.787 0 1 HHAF COc1ccc2nc(C)cc(N3C[C@@H](CNC(=O)c4ccc(C)cc4)OC3=O)c2c1 72121332 GNDSSFXEIQEFAM-GOSISDBHSA-N 405.454 3.615 0 1 HHAF CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 82073428 ZLQMEMNWFWEHNY-LJQANCHMSA-N 400.475 3.615 0 1 HHAF CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185067 BHORLMWCKTZYSC-UHFFFAOYSA-N 424.892 3.796 0 1 HHAF Clc1ccc2c(Nc3cccc([C@@H](c4nnn[nH]4)N4CCOCC4)c3)ccnc2c1 96922043 CUJPHRJSHCJQAW-FQEVSTJZSA-N 421.892 3.567 0 1 HHAF Cc1nc([C@@H]2C[C@H]2c2nc3ccc(OC(F)F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 142974010 ZJPLQPBUNACUHH-ZIAGYGMSSA-N 411.416 3.731 0 1 HHAF Clc1cnc(N[C@H]2CCCNC2)cc1-c1cccc(NCC2CCOCC2)n1 169703694 WHTSKQHRSNNTPF-INIZCTEOSA-N 401.942 3.799 0 1 HHAF C[C@H]1Cc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O[C@H]1c1ccccc1 169710766 CMQFOJVBXXCIIC-VBKZILBWSA-N 410.495 3.970 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 299882888 QMBGDWVVYSXZCH-QPDHVZKLSA-N 401.459 3.995 0 1 HHAF N=C1N[C@](c2ccc(OC(F)F)cc2)([C@@H]2C[C@H]2C(=O)c2cncc(Cl)c2)CO1 584905152 AVRZQFKBYKMVDH-SPYBWZPUSA-N 407.804 3.605 0 1 HHAF in-vitro COc1nccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957697 DKNBLAJOPPAKIC-JLSDUUJJSA-N 412.515 3.661 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)c(Cl)nc2[nH]1 586965482 YRMWTJZKPDSLBE-UHFFFAOYSA-N 423.333 3.722 0 1 HHAF Brc1n[nH]c2ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc12 587008486 WYXJVFVXBOQOJX-UHFFFAOYSA-N 412.291 3.701 0 1 HHAF COC(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1OC 587029230 KJDVZIKPMUESCC-UHFFFAOYSA-N 410.455 3.508 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 587035030 SQILXJLISYUAOV-UHFFFAOYSA-N 414.487 3.766 0 1 HHAF Cc1cnc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 587107544 BKNOOVXRVCDPEE-AWEZNQCLSA-N 410.421 3.811 0 1 HHAF COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1F 587187391 GBLGKPFSJAJAOL-UHFFFAOYSA-N 408.174 3.630 0 1 HHAF COCCN(C)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587741627 OEPXJPLPEUYJSZ-CWTRNNRKSA-N 408.315 3.689 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 587747348 PYCDGFPHTPVKQQ-JEOXALJRSA-N 407.283 3.813 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1noc2ccccc12 587868161 VZGKWCGNZOALCL-UHFFFAOYSA-N 402.332 3.997 0 1 HHAF CCOC(=O)c1ccc(OCC(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 587870468 KGMMVZSMAYRVLD-UHFFFAOYSA-N 412.417 3.984 0 1 HHAF NC(=O)c1cccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccncc3c2=O)c1 653887842 TWMGRKQKKIMRET-RMKNXTFCSA-N 402.841 3.703 0 1 HHAF Cn1nccc1-c1ccccc1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962697674 LTVRQYHZJPQEDI-IEBWSBKVSA-N 419.378 3.933 0 1 HHAF CON/C=C\[C@]1(c2ccc(OC)cc2)c2cccc(Br)c2CCN1C 963271255 TWQXZEKDUUSXKJ-CBUFDYBVSA-N 403.320 3.854 0 1 HHAF Cc1cc2c(cc1O)[C@@](c1ncco1)(c1ccccc1C(F)(F)F)N[C@H](C(=O)O)C2 963507037 HKFABVMGOSEDKA-OXJNMPFZSA-N 418.371 3.598 0 1 HHAF COC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963637520 SNWKTPCADKXYLS-WHEQGISXSA-N 417.889 3.533 0 1 HHAF O=C(Nc1ccccc1)N1CCN(c2nc(=O)c3cc(Cl)ccc3s2)CC1 1772582888 WXTMOSPIRLIPFC-UHFFFAOYSA-N 400.891 3.664 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1)N1CCNC2(CC2)C1 1772613695 KCRZAMZMVMAWIK-UHFFFAOYSA-N 410.424 3.938 0 1 HHAF CCN(CC)Cc1ccc(NC(=O)c2n[nH]cc2Nc2ncnc3[nH]ccc23)cc1 1772637825 AVMGEAZKDWAZIC-UHFFFAOYSA-N 404.478 3.519 0 1 HHAF Oc1nc(C2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1 1772647426 JAAVTZKQXDICEZ-CQSZACIVSA-N 411.531 3.517 0 1 HHAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)([C@H](O)[C@@H]4[C@@H]4O[C@@H](C)[C@@H](C)O4)[C@]3(C)CC[C@@]2(C)CC1 2356702392 AKDMKHJGBWDSQM-XWVLJQAHSA-N 406.563 3.774 0 1 HHAF CCN(CC)CCNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12 5055233 AUNTWWBQYXUPLG-UHFFFAOYSA-N 420.517 3.715 0 3 HHAF Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)c(C)c1 206042546 GYIYKVOZTKGORJ-QTDGGUCWSA-N 418.603 3.850 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NC[C@H](O)CC 4205329 DJJCEOXMOMUGEJ-PBEJRMEISA-N 416.905 3.718 0 1 HHAF C[C@@H]1[C@@H]2CC[C@@](CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)([C@H]1O)C2(C)C 100640488 WDCPKDGQHJWMLP-OFYLTFBOSA-N 415.599 3.810 0 1 HHAF Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(C(F)(F)F)cc1 118624490 CTGPUFQNQVNVGF-IAGOWNOFSA-N 411.387 3.974 0 1 HHAF CCCC[C@H](NC(=O)O[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 28524946 HMVXEHSUUNUEBL-PPLKHSGQSA-N 400.519 3.907 0 1 HHAF CCn1c(=O)n(Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2)c2ccccc21 35826965 SKHGPUQEYZKHHD-HSZRJFAPSA-N 412.493 3.955 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820826 FRIBRXMIZUPTCV-QGRYLMOLSA-N 408.579 3.593 0 1 HHAF CC(C)C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 220737473 LCQHCEBCPUOCIZ-BLLLJJGKSA-N 420.916 3.628 0 1 HHAF CN(C)CCCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069563 PTIOSLMXEZOGCB-SFHVURJKSA-N 415.559 3.547 0 1 HHAF CNC(=O)/C=C/c1ccc(-c2nc3snc(C4CCCCC4)c3c(=O)[nH]2)c(OC)c1 84635720 XFKOEENVHGZGIW-PKNBQFBNSA-N 424.526 3.862 0 1 HHAF CNC(=O)c1cccc(NC(=O)N2CCC(Oc3cc(F)ccc3Cl)CC2)c1 40893521 KTCASZWLOULDJY-UHFFFAOYSA-N 405.857 3.914 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 199358993 YIEJDWZZNVGWGH-GOSISDBHSA-N 409.866 3.714 0 3 HHAF COc1ccccc1OCCNC[C@H](O)COc1ccc2c(c1)[nH]c1ccc(F)cc12 96939550 HHBRBJYISCPAAD-KRWDZBQOSA-N 424.472 3.877 0 1 HHAF CCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCc1noc(=S)[nH]1 299833831 XDSPGCWLRYEBNP-ALCCZGGFSA-N 410.584 3.984 0 1 HHAF CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)cnc32)no1 653837739 YZXZPHSSFCYJSM-UHFFFAOYSA-N 419.445 3.588 0 1 HHAF COc1cccc(NC(=O)C[C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587392335 YAFBYVKSMJZGLA-DEOSSOPVSA-N 417.465 3.870 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 587058291 FFXKPARISWEHCA-MRXNPFEDSA-N 406.939 3.537 0 1 HHAF O=C(O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586958005 CDJWCQHSSYFUFK-DEOSSOPVSA-N 407.289 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587442995 NPVZOMKOHTZITM-MWWFNGASSA-N 408.450 3.848 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(F)cccc1I)[C@@H](C2)C3=O 587426325 BIIMQSSZTQWAPO-BTDLBPIBSA-N 410.182 3.928 0 1 HHAF Oc1cc(O)nc(SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1 586967311 XHHUWXYWJOOYJN-UHFFFAOYSA-N 421.198 3.838 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2=O 587474275 DSTIVHPXPZUHNS-DEOSSOPVSA-N 409.482 3.880 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 587837394 GJUUXDOAVLJKRK-OVWNDWIMSA-N 406.251 3.877 0 1 HHAF CN1CCN(c2ccc3nc([C@H]4CCCN4C(=O)Nc4ccc(F)cc4)[nH]c3c2)CC1 587167736 QXZNYVPTLCETJO-OAQYLSRUSA-N 422.508 3.823 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ncn2C)N1 587683896 PNARSRVDYJMGSZ-MADCSZMMSA-N 403.093 3.708 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@H]1CN4C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587436260 OYVUYTKSUNYECH-VWFBZHOWSA-N 405.450 3.612 0 1 HHAF COc1ccc2c(c1OC)[C@@H](c1c(Cl)nc(SC)nc1N(C)C)N(C)[C@@H](C)C2 962570167 NMHXYOJJRLQLOA-ZBEGNZNMSA-N 422.982 3.901 0 1 HHAF O=C(OCCCc1ccc(F)cc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 13441783 GNJCIHMCJPMIBF-NRFANRHFSA-N 419.518 3.686 0 1 HHAF COc1ccc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)cc1OC 14641306 UTPBMRNHPNUBLT-REABXYAWSA-N 400.427 3.516 0 1 HHAF O=C(CCC(=O)c1cccs1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167733869 RRDQYEGIJAIWMH-UHFFFAOYSA-N 421.522 3.903 0 1 HHAF O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CC(c2cccnc2)C1 1857597827 BXJQNJNBPGVHBT-UHFFFAOYSA-N 412.449 3.509 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(C)(=O)=O)cc21 1857615069 QPNUWHIEBVIIEX-UHFFFAOYSA-N 406.507 3.744 0 1 HHAF CN1CCN(C[C@H](OC(=O)c2cccc(Br)c2)c2ccccc2)CC1 1857646344 ZVJSAAVMCROGSO-IBGZPJMESA-N 403.320 3.595 0 1 HHAF CCN(CC)C(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(Cl)c3C)c21 6916256 LEMYPCLSXBTVLE-UHFFFAOYSA-N 400.910 3.634 0 1 HHAF Cc1cccc(Cl)c1Nc1nc2ccc(N3CCCNCC3)nc2n2cncc12 13582050 WRNGKJFRFDMYKK-UHFFFAOYSA-N 407.909 3.783 0 1 HHAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2 25412903 QBENIEXKFRPRRN-UTKZUKDTSA-N 422.550 3.827 0 1 HHAF biogenic CC(C)CNc1cc(-c2nc(SC[C@H](O)CO)[nH]c2-c2ccc(F)cc2)ccn1 40392968 RVZZLQRVFUNLHN-QGZVFWFLSA-N 416.522 3.791 0 1 HHAF CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1 40952721 RNTITYGCQNKQBU-UHFFFAOYSA-N 412.603 3.802 0 1 HHAF in-vitro CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 82196215 DPSOPUFRONVMLA-UHFFFAOYSA-N 412.456 3.560 0 1 HHAF C[C@@H]1CC[C@H](Oc2cccc3cnccc23)CN1C(=O)c1ccccc1-n1nccn1 118557592 HMRXGDJBJTWHMJ-MJGOQNOKSA-N 413.481 3.888 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@]34CNC(=O)[C@@H]3C4)nn2-c2ccccc2)c1 143738542 FBDBCWULQGGMTC-CYFREDJKSA-N 400.482 3.566 0 1 HHAF CN1CCC[C@H]1COc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O 147606180 IJKPHOXBXNGLMP-INIZCTEOSA-N 409.515 3.611 0 1 HHAF CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C 195940714 VDMGYZRQGVMXIO-MTFMMBMASA-N 418.562 3.613 0 1 HHAF Cc1cccc(CC2(O)CCN(CCNC(=O)Nc3ccnc4ccsc34)CC2)c1 220150844 CTOQRKGSJCPPJY-UHFFFAOYSA-N 424.570 3.796 0 1 HHAF Cc1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1 224705591 AJACEJKXEVQAAE-GOTSBHOMSA-N 416.485 3.982 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc([C@@H]3CC3(F)F)c2cn1)c1ccc(F)cc1 261127322 KLPFVPMCPPLPHL-DZGCQCFKSA-N 405.380 3.729 0 1 HHAF Cc1csc([C@@](O)(Cc2nc3c(C)c(Br)cnc3[nH]2)C(F)(F)F)n1 587094287 OTBBANFRUDKMNP-ZDUSSCGKSA-N 421.242 3.786 0 1 HHAF Oc1nc(O)c2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2n1 587161182 MNSIWELHJQKJBE-UHFFFAOYSA-N 418.182 3.520 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587229524 BKTJUQOFXPXHLC-QWRGUYRKSA-N 420.382 3.648 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3[nH]nc(I)c3c1)O2 587387236 OUNGPHRUAIEIKD-HNNXBMFYSA-N 419.222 3.765 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)N3CCCCC3)cc1)O2 587393407 IAHREBYFKUKOGG-DEOSSOPVSA-N 408.498 3.849 0 1 HHAF Cc1ccc(C)c(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c1 587652761 IQDZQSXJRMWEJJ-UHFFFAOYSA-N 408.845 3.588 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 587797853 XUTNDAQZELGLOQ-LAOHPYGUSA-N 419.294 3.568 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 587839601 HTEIBYSMDFXIKE-DYZYQPBXSA-N 413.312 3.583 0 1 HHAF CON(C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653797751 FVVHUTWGRYEXJN-IAGOWNOFSA-N 406.404 3.759 0 1 HHAF CS(=O)(=O)c1ccc(F)c([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961328797 WQTDWSQTTGUURY-KRWDZBQOSA-N 410.308 3.759 0 1 HHAF CCOC(=O)CC[C@@]1(c2ccc(Cl)cc2OC)c2ccsc2CCN1C(N)=O 962719532 XARZGVVZPJLLLD-HXUWFJFHSA-N 422.934 3.934 0 1 HHAF COc1cc(OC)c(-c2cn3ccc(C4=CCN(CCO)CC4)cc3n2)cc1Cl 1857588434 MZJILZNIAIMYIV-UHFFFAOYSA-N 413.905 3.753 0 1 HHAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccc4ccccc34)C(=O)C[C@@H]12 1857640835 UOGOQRLFCIOBPV-HXUWFJFHSA-N 414.461 3.844 0 1 HHAF O=C1C[C@H](c2ccccc2)NCCCN(C(=O)C=Cc2ccccc2)CCCCN1 2356506028 YCGJAANQHNQGOR-HSZRJFAPSA-N 405.542 3.550 0 1 HHAF COc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)cc1 12448260 OJCDTRJBSZIEAA-IBGZPJMESA-N 424.545 3.815 0 3 HHAF Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4C)no3)CC2)c1 61959848 FWBHXPIHZRPEFY-UHFFFAOYSA-N 404.514 3.943 0 3 HHAF CC(C)c1ccc(NC(=O)C2=CN3CCN(Cc4ccccc4)C(=O)N=C3O2)cc1 205213884 NUEXJAXCTVIOFG-UHFFFAOYSA-N 404.470 3.914 0 3 HHAF CN(C(=O)NCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)c1ccccc1 3979300 ZWFOVLJNNFKCBE-OAQYLSRUSA-N 409.530 3.775 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 4056081 WOYKHZCECIULNJ-CTNGQTDRSA-N 414.889 3.689 0 1 HHAF CC1CCN(C(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)ccc2Cl)CC1 4660019 YALYJFYUBQCJSZ-FTUNRGFVSA-N 400.906 3.748 0 1 HHAF COC(=O)c1c(O)cccc1OC/C=C/c1ccc2c(c1)-c1onc(C(=O)O)c1CC2 14954261 MXDUYHDWIDZURW-ONEGZZNKSA-N 421.405 3.723 0 1 HHAF O=C(CCCCN1CCN(C[C@H]2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 22925203 MFOZPYTUDQEMMW-SFHVURJKSA-N 412.505 3.835 0 1 HHAF CN(C)CCCOc1cc(C(=O)Nc2cc(F)cc(F)c2)n(Cc2ccccc2)n1 26028125 ZWRUSWSWCGOECZ-UHFFFAOYSA-N 414.456 3.792 0 1 HHAF Cc1oc(-c2ccccc2)nc1C(=O)COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26578298 AIYMQIHPXLABBR-SFHVURJKSA-N 422.462 3.806 0 1 HHAF O=C(O)CCCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F 28229453 UTFKXDKDOCZUEV-ZTFGCOKTSA-N 403.491 3.894 0 1 HHAF CCCCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 28522673 GTZZJXACLAMRNF-YEHREXKJSA-N 416.521 3.963 0 1 HHAF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)C4=C(CCC4)C3=O)cc2)cc1C 28524756 LUOLSQMBUDVBQQ-UHFFFAOYSA-N 403.434 3.697 0 1 HHAF CCO[C@@H]1C[C@@H](c2ccccc2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40914592 LLYAOCTXYWTOMZ-PKOBYXMFSA-N 414.893 3.849 0 1 HHAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)C1 82139763 FAKGXWKYRWBNPY-DLBZAZTESA-N 412.509 3.770 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C)N2 82207197 CVIXJAFESWTSLE-LBPRGKRZSA-N 411.333 3.637 0 1 HHAF CC(C)C[C@H](C(N)=O)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 95552759 SJAQKCZLABEOFS-GOSISDBHSA-N 412.914 3.570 0 1 HHAF CC[C@H]1CC(O)=C2C1=N[C@@H]1COCC(=O)[C@@H]1[C@H]2c1ccc(F)c(Br)c1 101411096 ZUDLMLQKCUFUOJ-UFEUNGEOSA-N 408.267 3.953 0 1 HHAF COc1ccccc1N1CCCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 113395098 FAKVJGDVZFHZPG-UHFFFAOYSA-N 423.557 3.951 0 1 HHAF CC(=O)N(C)CCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 143335675 YYCQYSMOMIUNEW-NRFANRHFSA-N 415.415 3.807 0 1 HHAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3cccc(OCC4CCNCC4)c3)oc2c1 145767205 XFSARQRQDASLQS-HNNXBMFYSA-N 418.497 3.733 0 1 HHAF N#Cc1nc(C(=O)NCCCCC(=O)O)c(O)c2cc(Oc3ccccc3)ccc12 146689726 PLDDEHBMYMKSPF-UHFFFAOYSA-N 405.410 3.589 0 1 HHAF COc1cc(N2CCC([C@@H](O)Cn3nc(C(F)(F)F)nc3C)CC2)ccc1Cl 168302374 ZWZBDOJNJCRALN-HNNXBMFYSA-N 418.847 3.545 0 1 HHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C(F)(F)F 222355557 GXLUWERWHDKAIH-UHFFFAOYSA-N 403.408 3.972 0 1 HHAF O=C(NCc1ccc(Cl)c(F)c1)c1ccc2cnc(NC3CCOCC3)cc2n1 222805397 IBRKIEOOAVIRDE-UHFFFAOYSA-N 414.868 3.943 0 1 HHAF CCCCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 299847671 MDELNINZIPQAOZ-SJORKVTESA-N 405.930 3.540 0 1 HHAF Brc1c[nH]c2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2n1 586997935 FIKAWEWIVIUBOU-OWOJBTEDSA-N 424.052 3.729 0 1 HHAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)n2)cc1 587114105 YZFKLEACRZSSND-UHFFFAOYSA-N 413.285 3.697 0 1 HHAF COc1cncc(N)c1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 587252262 BIORXZZRWTXCFV-UHFFFAOYSA-N 403.158 3.877 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1sc4c(c1C)C(=O)N/C(=C\Cl)N4)[C@@H](C2)C3=O 587453937 SSUYBMLZCHXDAR-LLWALXCYSA-N 416.886 3.921 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(N)nc1N1CCCC1)CC2=O 587463008 UEQVMNROOCOZCG-OAHLLOKOSA-N 402.882 3.677 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595904 PTAFVMXZOBQIFT-NZQKXSOJSA-N 406.390 3.867 0 1 HHAF O=C1C[C@]2(C[C@@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597074 RWCKDHRLEFALDY-UQJUWTFNSA-N 401.418 3.744 0 1 HHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2N/C1=C/Cl 587648920 JOVNCZOOIJABLI-YVLHZVERSA-N 401.875 3.990 0 1 HHAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587754281 JJLDVCSBKQBNEM-IZDJOXEWSA-N 407.327 3.983 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(C(=O)N2CCOCC2)cc1 962371620 GYORGDAKZIPHSY-HSZRJFAPSA-N 421.566 3.707 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@]12C=CO[C@H]1COC(C)(C)O[C@]12C 962396892 HAYCFKXYARQQSS-KSEOMHKRSA-N 400.544 3.794 0 1 HHAF Cc1ccc([C@@H](O)Cc2ccc([C@H]3NCCc4c(C(=O)O)cccc43)c(C)n2)c(C)n1 963134993 VEEIZQUXSVGJQY-BJKOFHAPSA-N 417.509 3.611 0 1 HHAF O=[N+]([O-])OCCCCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 1772646175 PUBKSSYGTVFTME-UHFFFAOYSA-N 420.429 3.926 0 1 HHAF NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 1857544175 YRNZELXLSOHKFP-UVTDQMKNSA-N 400.485 3.692 0 1 HHAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccc(F)c(Cl)c4)cccn3[nH]1)C2 1857637443 GGTOKLPPMHMCOK-HNNXBMFYSA-N 410.884 3.797 0 1 HHAF O=C(NCc1ccccc1)[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95566840 FWIDBNBUMACXSZ-XMMPIXPASA-N 400.478 3.508 0 3 HHAF COc1ccccc1-c1cccc2[nH]c3c(c12)CCN1C(=O)[C@H]2[C@H](C)ON(C)[C@H]2C[C@@H]31 199739463 AESRUEIXSNQRFM-YXXMBDFVSA-N 417.509 3.923 0 3 HHAF Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 7997502 ZHVWWEYETMPAMX-JTMVAAEOSA-N 415.489 3.838 0 1 HHAF CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=C/[N+](=O)[O-])Nc1cccnc1 100044601 WOUKEIYSZSAXRR-FXFXYLOPSA-N 403.870 3.614 0 1 HHAF COCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(C)cc2)CC1 8606988 BXPFSUJWMSUSIL-UHFFFAOYSA-N 419.569 3.973 0 1 HHAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCc1nn[nH]n1 101171530 ZWYMZEPNFDGEGR-MPWGEPPRSA-N 408.546 3.983 0 1 HHAF O=C(NCc1ccc(-c2ccccc2)cc1)c1nc(-c2cccs2)[nH]c(=O)c1O 28820295 ZZTZUNCWIGTSTL-UHFFFAOYSA-N 403.463 3.801 0 1 HHAF COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC(=O)OCCN)ccc4c3c2)c1 113262028 GMRDTUAYKVDYFP-UHFFFAOYSA-N 418.453 3.603 0 1 HHAF COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C 63298207 NRZYTPAJGVTKIM-UHFFFAOYSA-N 416.441 3.718 0 1 HHAF O=C(Nc1cccc(Cl)c1)c1csc(-n2ncc(C(=O)O)c2C(F)(F)F)n1 115474586 PJJPCUAOTKEQDK-UHFFFAOYSA-N 416.768 3.952 0 1 HHAF CO[C@]1(C(C)C)CC[C@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@H](C(=O)O)C[C@]42CN(C)C1 2356745093 CJTKUZUOJCPZPE-MAQVJMCXSA-N 403.563 3.935 0 1 HHAF Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccco3)c(C)c12 72177262 VBPADMHWZCSSBO-UHFFFAOYSA-N 415.453 3.806 0 1 HHAF CCCCCC[C@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O 45356169 ZVIGPYCYZQFMAK-HSZRJFAPSA-N 416.566 3.589 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCC2CCCCC2)cs1 82073809 HJRGKNYVOQHMBY-UHFFFAOYSA-N 415.559 3.977 0 1 HHAF CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069561 DRKCOAOFZIYTQE-KRWDZBQOSA-N 415.559 3.546 0 1 HHAF COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3ncccc3C)cn1)CC2 95586001 AJIXMPNQHGVODE-UHFFFAOYSA-N 404.470 3.617 0 1 HHAF COC(=O)[C@H](Cc1ccccc1)N1CC2=CCCC=C[C@H]2[C@@H]1[C@@H](O)Cc1ccccc1 95665730 HLYRDNJHZZUMCE-KEVKATSASA-N 417.549 3.951 0 1 HHAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2cncnc2)[C@H](CO)N3)cc1 95878806 QUUNHEGGVLSPMA-FGCOXFRFSA-N 402.498 3.502 0 1 HHAF CCn1c(=O)n([C@@H]2CCN(C[C@H]3[C@H]4CC[C@H](C4)C3(C)C)C[C@H]2CO)c2ccccc21 96900449 VMSFDCIOGZRGRZ-JRSUCEMESA-N 411.590 3.751 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c(O[C@@H]2CCOC2)c1 587924597 FFHHMOWQADBUMZ-MRXNPFEDSA-N 413.401 3.649 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 587764626 GJTGOLCRZQQOAH-SPLOXXLWSA-N 418.354 3.964 0 1 HHAF CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439460 AZEAFYCWQIULHW-KOSHJBKYSA-N 410.466 3.998 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 587030378 CSUGZJMXMVDKFZ-UQDQQJHMSA-N 413.528 3.789 0 1 HHAF CC(=O)Oc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1C 587273124 IDOPXRXCJAAEDW-UHFFFAOYSA-N 404.216 3.547 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(S(=O)(=O)O)cc4)o1)[C@@H](C2)C3=O 587449004 OBNUXPJQSYABNX-BTYIYWSLSA-N 412.419 3.691 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2S(C)(=O)=O)N1 587736343 ZKQCDQYJMPTGEF-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF N[C@@H](N=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000087 FMJSUULWAZGMEZ-TTXOHTOLSA-N 415.247 3.991 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 587769009 LXNBTVPJBMDKLM-FKIZINRSSA-N 417.278 3.784 0 1 HHAF O=C(O)c1cccc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c12 587638757 PDPAOKWOPHLCGC-UHFFFAOYSA-N 400.276 3.705 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2cncc(Br)c2[nH]1)C(F)(F)F 587092454 NDISNTKRBOZUQR-OAHLLOKOSA-N 415.213 3.884 0 1 HHAF CCOC(=O)Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586998141 XXTONQOAEFPQPO-OAHLLOKOSA-N 402.292 3.674 0 1 HHAF COC(=O)c1cccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1Br 963613209 UOLAYTXZGUBHHT-NSPYISDASA-N 420.303 3.877 0 1 HHAF Cn1cc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(-c2ccccc2)n1 962637660 OUDDNNGVCYVFFL-DNVCBOLYSA-N 417.387 3.674 0 1 HHAF COc1cc2c(cc1OC)[C@](C(=O)OC(C)(C)C)(C1=COCCC1)N(C)[C@@H](C)C2 962617026 BPCWRTIRDKUGLZ-WNSKOXEYSA-N 403.519 3.812 0 1 HHAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(CO)c2)c1F 1772613602 BKEJRFPRBYUSFN-SJKOYZFVSA-N 406.885 3.507 0 1 HHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(C(=O)O)c2)c1F 1772617929 XZUJJARMDJVQKA-MEDUHNTESA-N 420.868 3.713 0 1 HHAF CNC(=O)N1C[C@@H]2C=C(c3[nH]c4nccc5c4c3CN(C)c3ccc(F)cc3-5)C[C@H]2C1 1772651664 GHMCSXURQCMKMZ-GJZGRUSLSA-N 417.488 3.993 0 1 HHAF CC(=O)c1ccc(OCc2cc(C(=O)N3CCN(c4ccccc4)C[C@@H]3C)no2)cc1 11874550 NZNASTOQVFBCJZ-KRWDZBQOSA-N 419.481 3.807 0 3 HHAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCCc1ccccc1)C(C)(C)C)CC2 13588128 KCWNVAAECBJOCC-HSZRJFAPSA-N 410.558 3.836 0 1 HHAF O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 13611812 RJGHKJBJOGXPNK-UHFFFAOYSA-N 423.494 3.545 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCNC4)n3)c(Cl)cn2)CC1 169703724 MDHNKWXSQVMZGA-ZACQAIPSSA-N 415.969 3.924 0 1 HHAF COc1cc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)cc(OC)c1 205214642 WKYRLNZHVOXGGS-UHFFFAOYSA-N 423.469 3.712 0 3 HHAF COc1ccc2c(c1)c(-c1nc3ncccn3c1C)cn2S(=O)(=O)c1ccccc1 1857543593 QRVNHTRPNWEKCX-UHFFFAOYSA-N 418.478 3.905 0 1 HHAF NC(=O)CCNC(=O)c1ccccc1SC(=O)Nc1ccc(C(F)(F)F)cc1 3633292 GNUWXGSQOQOXAO-UHFFFAOYSA-N 411.405 3.635 0 1 HHAF CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 4971238 IITYYCJLORYTMN-DHIUTWEWSA-N 422.525 3.799 0 1 HHAF O=C(Cn1ncc2c3ccccc3nc-2c1O)Nc1ccc(CN2CCCCC2)cc1 101786706 WLJMHDTYTPZXBE-UHFFFAOYSA-N 415.497 3.866 0 1 HHAF CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1 52541494 PLVXGHMFJNEQRI-UHFFFAOYSA-N 422.573 3.704 0 1 HHAF O=C(COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc(F)cc1 101216026 LQCKGNBDIKFRTN-HUCDYXQFSA-N 417.436 3.645 0 1 HHAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@H]3C2)n1 116821582 GDYPZYXSMGJUAS-OALUTQOASA-N 402.473 3.800 0 1 HHAF CC[C@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(-c3ccccc3)oc2C)C1 71340816 NUPZHCQDIVOSOI-CEWLAPEOSA-N 411.546 3.793 0 1 HHAF Cc1ccc(Cl)cc1N1C(=O)c2ccccc2[C@]1(O)c1ccc2c(c1)NC(=O)CO2 35901762 GCQSTRCSTKDJPL-HSZRJFAPSA-N 420.852 3.833 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)[C@@H]2O 15262592 MRIJYJFSLKIHCK-PISHQANHSA-N 402.443 3.675 0 1 HHAF biogenic COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(CCCCO)[nH]c2c1 43121504 RZTUFMVPFNFROE-UHFFFAOYSA-N 413.470 3.748 0 1 HHAF O[C@H]1c2ccccc2[C@H](O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911575996 YQBDIPLMHJBTGF-VXKWHMMOSA-N 409.367 3.828 0 1 HHAF COCCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2)n1 82133220 FKBMHRUJDJPGNW-UHFFFAOYSA-N 408.477 3.704 0 1 HHAF CCCC[C@H](/C=C1/C[C@](CO)(COC(=O)c2ccc(N(C)C)cc2)OC1=O)CC 40915291 JMKDPOCHTLWPTO-BNAOHEJWSA-N 403.519 3.730 0 1 HHAF CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(C2CCCCC2)CC1 84726314 QCWXDDYYECBDTI-QHCPKHFHSA-N 411.590 3.715 0 1 HHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587070713 VGHBWZLGKMNLHZ-GFCCVEGCSA-N 405.907 3.843 0 1 HHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586950025 MPSKFTWWEHQLSU-UHFFFAOYSA-N 420.363 3.574 0 1 HHAF C[C@]1(c2cc(N3CCC(O)CC3)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587515565 VCNSMSWUBXAIAA-RUZDIDTESA-N 406.526 3.989 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(I)cc41)[C@@H](C2)C3=O 587429766 WVNIKJNJIWHBBN-HNAYVOBHSA-N 418.230 3.889 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 587756776 FKWTUSHHXVPXKB-HXPMCKFVSA-N 401.283 3.967 0 1 HHAF FC(F)(F)c1nn(Cc2nc3cncc(Br)c3[nH]2)c2c1CCCC2 587119863 JPEFGQMHOHWIOX-UHFFFAOYSA-N 400.202 3.863 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 587182855 SYNFOCMFMYUMNS-LURJTMIESA-N 422.057 3.984 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(Cl)c1F 587572458 VEWFSKMQNYNXOY-BTYIYWSLSA-N 411.772 3.994 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)[C@@H](C2)C3=O 587418936 FFPHELPGCPBYPD-XOBRGWDASA-N 421.371 3.724 0 1 HHAF CC/C(=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587966019 GONHGYINHQAPRF-VKAVYKQESA-N 411.527 3.843 0 1 HHAF CCOC(=O)C[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335861 IKUVXRYCAXZFMD-GGAORHGYSA-N 422.412 3.529 0 1 HHAF COc1cc(Br)cc(C=O)c1OCc1nc2cc3cn[nH]c3cc2[nH]1 586979769 AMQWKNPZRSDZEU-UHFFFAOYSA-N 401.220 3.602 0 1 HHAF Cc1nc2c(N3CCOCC3)nccn2c1NCc1ccccc1-c1cccnc1 1772619743 ZKFVBHJZCMJIJE-UHFFFAOYSA-N 400.486 3.548 0 1 HHAF O=C(CCc1cn2ccccc2n1)N[C@@H]1CCCc2c1cnn2-c1ccccc1F 11664687 HTJLXHYCFPAOSY-LJQANCHMSA-N 403.461 3.786 0 3 HHAF C[C@H]1C[C@@H]1Cn1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O 13487681 QIJCIOJDEAVNCZ-WMLDXEAASA-N 412.486 3.776 0 1 HHAF O=C(N[C@@H]1CC[C@H]2C[C@H](N3CCN(c4ccccn4)CC3)CC[C@@H]2C1)c1ccccc1 13739892 OVQXIVRARLGKOO-UEQSERJNSA-N 418.585 3.971 0 1 HHAF OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 13834628 OQSNGKVKWDKCCC-LJQANCHMSA-N 406.534 3.905 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 169329594 ZOEXYEMQSFTACS-ZRBLBEILSA-N 408.546 3.920 0 1 HHAF CN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC(C)(C)C)c4)c3c2)n[nH]1 167054090 XQQIETUXTOJTDV-UHFFFAOYSA-N 417.517 3.605 0 1 HHAF O=C(Nc1ccc(F)c(Cl)c1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 205227233 ZEEJBPJTWQLXLY-UHFFFAOYSA-N 414.824 3.583 0 3 HHAF COC(=N)c1nc2ccc3ncnc(N(C)c4ccc(OC)c(OC)c4)c3c2s1 207594218 NNZIWCUFIZVPFW-UHFFFAOYSA-N 409.471 3.996 0 1 HHAF COc1ccc2c(-c3ncc(C(=O)c4cc(OC)c(OC)c(OC)c4)[nH]3)c[nH]c2c1 1857605096 YZUZYRAJQLZOJW-UHFFFAOYSA-N 407.426 3.823 0 1 HHAF C[C@@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2c(NCCN)cccc12)C1CC1 1857650952 XRKBCXMGGURXKD-GFCCVEGCSA-N 414.916 3.591 0 1 HHAF CC[C@H]1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O 600363 MXNDYFGCAIMNEX-JTQLQIEISA-N 418.298 3.744 0 1 HHAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 2467089 CBEYXFXFGYQNQE-HXUWFJFHSA-N 421.419 3.708 0 1 HHAF Cc1ccc(NC(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(S)nc3c2)cc1C 3631926 FDMDWNBAMMNXET-QGZVFWFLSA-N 409.511 3.733 0 1 HHAF Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCNC1CC1 14974523 YAEFGNPDRFBMQN-UHFFFAOYSA-N 417.951 3.575 0 1 HHAF Cc1ccc(OCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1 28362738 PSIBXQUEEPRIKR-UHFFFAOYSA-N 404.514 3.621 0 1 HHAF CS(=O)(=O)Nc1cccc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc12 28604231 ACMPKMSXOFRFCC-UHFFFAOYSA-N 411.527 3.634 0 1 HHAF CC(C)CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3C[C@H](C3(C)C)[C@@]1(CCO)O2 29123101 PVGZSQXEQPJJOZ-ATWPWFFJSA-N 416.514 3.877 0 1 HHAF COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1C[C@H](C)O[C@@H](C)C1)C(F)(F)F 34802048 YRAUBPBLFNFPPH-NJSLBKSFSA-N 407.448 3.905 0 1 HHAF O=S(=O)(N[C@H](CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)s1 40391516 CJEZEJKUSJGLHH-SSDOTTSWSA-N 419.796 3.562 0 1 HHAF Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)c(C)n1 43199822 MVWDJAXGICCHNE-KRWDZBQOSA-N 407.301 3.562 0 1 HHAF CCC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1)C3 49089897 DIDFCPKJAIBIBS-UHFFFAOYSA-N 418.545 3.855 0 1 HHAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1ccc(Cl)cc1Cl 68576363 DIIOOSSBTGHVMV-UHFFFAOYSA-N 403.209 3.692 0 1 HHAF biogenic CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1OC 101616451 YVYZZAMTDDBQFW-ORMOWBNMSA-N 402.451 3.586 0 1 HHAF O=C(c1ccccc1-c1cccnc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116822541 ALBSLXVPHZRNMG-BGYRXZFFSA-N 421.504 3.900 0 1 HHAF COc1cc(-n2ccc(-c3ccc(OC(F)(F)F)cc3)cc2=O)ccc1OCCO 138533732 JCLKKRZMUZBICB-UHFFFAOYSA-N 421.371 3.783 0 1 HHAF C[C@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 143582223 JPUKWXBMXKNSTR-JLTOFOAXSA-N 403.385 3.687 0 1 HHAF NCC(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1 146324358 VQIOWHJFBCILGY-UHFFFAOYSA-N 401.432 3.746 0 1 HHAF Cc1c(C(=O)OC(C)(C)C)nc(-c2cccs2)n1-c1ccc2c(N)nc(N)nc2c1 169706544 SARLNVLIFJQCFZ-UHFFFAOYSA-N 422.514 3.972 0 1 HHAF Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 213909432 YIUIJXBYTVHAJS-BBEJJTJUSA-N 424.810 3.629 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](C(=O)NCc1cccnc1)[C@@H]2O 299870045 JLDAJRITWUSQME-GZPPSHFPSA-N 406.526 3.547 0 1 HHAF in-vivo COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586918119 WLTCXTUYPLACNQ-MZNJEOGPSA-N 416.481 3.535 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587153815 ADTZKNNQGCKOCE-ADLMAVQZSA-N 404.239 3.593 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C 587239944 PGIBWTPKNGBBSE-DKHZXNSXSA-N 407.902 3.513 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 587413206 QYEXMXJCZFJAJP-RPWUZVMVSA-N 417.417 3.709 0 1 HHAF CCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587487224 NGXPZOLIQSFOOZ-JOCHJYFZSA-N 417.527 3.914 0 1 HHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC(N)=O 587496411 CSSLSCNMQQCETH-GOSISDBHSA-N 415.873 3.798 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1nc[nH]n1 587567750 BQDRDUCXNVRMFR-PGRDOPGGSA-N 403.369 3.555 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2N)N1 587682971 MOCOOYDSPSZHRC-UOWDBTKRSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587768594 KYFOZMXRCHHUGK-GIPWTMENSA-N 417.278 3.784 0 1 HHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587784846 KAYSJUVGNVNLCJ-KGLIPLIRSA-N 424.400 3.800 0 1 HHAF CCCC(=O)C[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797559 MGXZBDFRNVADKL-ADLMAVQZSA-N 400.288 3.640 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1OCCO2 587832811 CZIDNTJQEAYPMJ-MLCYQJTMSA-N 408.267 3.992 0 1 HHAF COc1cc2c(cc1OC)CN(CCn1cc(COc3ccc(C)c(C)c3)nn1)CC2 653719058 FJPPIOJAGKRFQP-UHFFFAOYSA-N 422.529 3.549 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cccnc2OCC(F)(F)F)N1 962957421 BSBIMHLDMSVUFI-FZMZJTMJSA-N 422.737 3.643 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]12CCc1cc(F)c(F)cc12 963155961 ZOEUMKQKBPJQCU-FOIQADDNSA-N 422.453 3.858 0 1 HHAF Cc1cc2c(cc1O)[C@@H](c1c[nH]c3c(Br)cccc13)N[C@H](C(=O)O)C2 963475062 ZRWFUHXERJKJKU-RDJZCZTQSA-N 401.260 3.633 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H](C)C(F)(F)F)c2cn1)c1ccccc1 1772645205 ZLXVMUPMCXLAIO-IAQYHMDHSA-N 422.411 3.830 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](N[C@@H](CO)C(C)C)(c1ccccc1)C(=O)N2 1772648095 HUSZVVFPYFRMAR-URXFXBBRSA-N 405.498 3.761 0 1 HHAF O=C(Nc1ccc(Cn2c(=O)oc3ccccc32)cc1)N1CC(c2cccnc2)C1 1857540591 QIWYLLHKVJJJGA-UHFFFAOYSA-N 400.438 3.669 0 1 HHAF COc1ccc(OC)c(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857592627 OKEXMHVVTSDPOF-XMMPIXPASA-N 401.466 3.611 0 1 HHAF CN(C)c1ccc(C2CCN(C(=O)Oc3cccc(N4CCOCC4)c3)CC2)cc1 1857610939 VEPUDOPMGRPOKO-UHFFFAOYSA-N 409.530 3.968 0 1 HHAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(C=Cc2ccc(Cl)cc2)c1=O 2356309806 PGDWSEMVYYIPLQ-AEFFLSMTSA-N 414.958 3.981 0 1 HHAF Cc1nc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)sc1C 12204754 MMEORXCLXKBPEN-INIZCTEOSA-N 405.951 3.511 0 3 HHAF O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 95568148 JQEWGEWXMARASS-DEOSSOPVSA-N 417.509 3.732 0 3 HHAF CCCCNC(=O)C(C)(C)n1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cn1 205226807 IPWKQZRHDOGTJG-UHFFFAOYSA-N 414.550 3.850 0 3 HHAF O=C(O)CCCC(=O)N1CCc2c(n(CCCc3ccccc3)c3ncccc23)C1 112993101 KZJGQKAVDLZTIT-UHFFFAOYSA-N 405.498 3.809 0 1 HHAF Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(C)(C)N)C3)cc1 72108841 VGNRSBSIGNJLFZ-UHFFFAOYSA-N 407.493 3.821 0 1 HHAF CC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3Cl)CC2)cc1 49803648 ISAPMSUDTSWFCU-UHFFFAOYSA-N 400.906 3.770 0 1 HHAF CC(C)N(C)C(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O 40862261 PVYFEEPKCVVLSU-UHFFFAOYSA-N 400.276 3.629 0 1 HHAF FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@H]3CCC[C@H]43)CC2)c1 40163132 BNRMWKUVWLKDQJ-QAPCUYQASA-N 405.468 3.559 0 1 HHAF in-man CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c(C)c1 40895866 ODUWWXHHKSBGFC-KRWDZBQOSA-N 402.878 3.787 0 1 HHAF CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)C[C@@]13O[C@H](c4ccoc4)[C@@](C)(CC[C@H]21)C3=O 238747962 JFVLLZQSYBQDMP-APSJBYJHSA-N 412.482 3.952 0 1 HHAF CCC[C@H](CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)O 146749647 OUBAPWWJWLDPAF-CQSZACIVSA-N 419.437 3.835 0 1 HHAF CCOc1ccc(Br)cc1/C=c1\sc2nc3ccccc3n2c1=O 96928400 MLTPHCIQPLOBAX-YBEGLDIGSA-N 401.285 3.618 0 1 HHAF COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)c(OC)c3)n2)cc1OC 95594835 XXUFIKUZGVRKIL-UHFFFAOYSA-N 409.442 3.803 0 1 HHAF COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@]314 253690229 RBQKCFLDNBVADS-IWNWRMIDSA-N 417.549 3.992 0 1 HHAF C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1F 473096893 BEOVYTUZTURCQK-NSHDSACASA-N 405.355 3.715 0 1 HHAF COc1ccc(C[C@@H]2CCCN2C(=O)c2ccccc2-c2nc(C)no2)cc1OC 653784803 JZHKVYBNWKFHNL-KRWDZBQOSA-N 407.470 3.910 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 587925541 BBLZFBAYXDNLOL-UHFFFAOYSA-N 413.543 3.990 0 1 HHAF FC(F)(F)c1nn(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c2c1CCCC2 587120002 NDPXDTDCHHTHQG-UHFFFAOYSA-N 419.451 3.538 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)([C@@H]2CCCNC2)N1 587799820 YWJLLYRUKCWUNP-RCDCFZSISA-N 404.327 3.761 0 1 HHAF Cc1c([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C 587336849 AXXCHRCDWAFLRB-VJABCOIJSA-N 421.472 3.903 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c(Br)c1 587538178 CUCAPBJNJZFWQY-YJBOKZPZSA-N 414.211 3.958 0 1 HHAF CN(C)C(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587568667 COJYADFAECOTRT-ZJSXRUAMSA-N 419.433 3.562 0 1 HHAF COC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417447 KONUDXUIRCPIPR-QRWLVFNGSA-N 417.255 3.664 0 1 HHAF CCOC(=O)Nc1ccccc1[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963236927 SUPYURYOWFLHDE-REWPJTCUSA-N 405.454 3.666 0 1 HHAF OC(O)(C1=COc2ccccc2[C@@]12c1ccc(F)cc1C[C@H]1CCCN12)C(F)(F)F 963108360 OUAHAWCZQIOUOZ-QRWLVFNGSA-N 421.390 3.609 0 1 HHAF CC(C)[C@@H](N)[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924824 HCZAZIXUGZYBOK-NLWGTHIKSA-N 424.419 3.524 0 1 HHAF COc1cc(CCCNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC 5888647 LOARZBOONBWPPR-UHFFFAOYSA-N 417.897 3.518 0 1 HHAF O=C(Oc1cccnc1C(=O)Nc1nccs1)c1ccc(F)c(Br)c1 13521971 ITABIKMNLCVNIZ-UHFFFAOYSA-N 422.235 3.911 0 1 HHAF CCCCNc1c(-c2ccc(OCC(N)=O)cc2)nc2ccc(Br)cn12 169326559 PDEPUFNPMUEMMX-UHFFFAOYSA-N 417.307 3.840 0 1 HHAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCNCC4)c3)o2)cc1 169353062 VSHXPENNFVQSAA-UHFFFAOYSA-N 419.529 3.726 0 1 HHAF CCOC(=O)[C@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 169691171 WNXAOOZWDQKMEO-HBDYDMGHSA-N 411.889 3.777 0 1 HHAF COc1ccc(-c2cc3c(cn2)nc(O)n3-c2cc(OC)c(OC)c(OC)c2)cc1O 1857566607 VLWDOBMSFXVYNF-UHFFFAOYSA-N 423.425 3.533 0 1 HHAF CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2c[nH]nc2c1 1857584850 JQMWMVMZFDEDHI-UHFFFAOYSA-N 412.446 3.833 0 1 HHAF CC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)s1 34632609 VULGUOVYKQGGKY-UHFFFAOYSA-N 422.919 3.926 0 1 HHAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 3620668 PXIFALFYCJJOLC-UHFFFAOYSA-N 417.981 3.952 0 1 HHAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccccc4)n[nH]c2-3)C(=O)O1 3820989 UHGNJHBYTIFSKP-IBGZPJMESA-N 416.481 3.694 0 1 HHAF CCC(=O)c1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O 3870490 VRAJWAGCJIXJHQ-AAEUAGOBSA-N 422.254 3.959 0 1 HHAF O=C(c1csnn1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 4238164 KGYXTTACPODLOE-UHFFFAOYSA-N 404.539 3.866 0 1 HHAF CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2cccc(Cl)c2)C1 13442747 YCMCKWPNQFQZIK-UHFFFAOYSA-N 402.903 3.886 0 1 HHAF COc1cccc(/C=C2\C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)c1 13704221 KVUARDUOUUZNQW-MPDXVOLHSA-N 404.503 3.618 0 1 HHAF Cc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 13761368 WONYSUAAXSMWMV-UHFFFAOYSA-N 421.320 3.568 0 1 HHAF c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 22933236 WUSIUKLVFNJEHL-ZCYQVOJMSA-N 412.537 3.802 0 1 HHAF CCCCOc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 28003353 MGYZMMFPQHHKTJ-VSRDTVRMSA-N 421.457 3.543 0 1 HHAF c1cncc(-c2cncc(-c3cnc(Nc4cc(N5CCNCC5)ccn4)s3)c2)c1 84614882 OFEVJLYZUAVMGH-UHFFFAOYSA-N 415.526 3.815 0 1 HHAF C=CCONCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95535302 VPKRTZRTWXWZMX-QFIPXVFZSA-N 424.497 3.856 0 1 HHAF COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 95875599 IAOUQVOLJYGUBM-GSDHBNRESA-N 406.570 3.997 0 1 HHAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)cc1 100106574 ORAOIHDGLCSCCU-FIDNPTQWSA-N 422.525 3.930 0 1 HHAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(O)cc1)n2CCCN1CCCC1=O 169353524 XECZGULMCDHLRP-UHFFFAOYSA-N 407.470 3.598 0 1 HHAF Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 473170678 IASAFOJVDHSYLM-AYBZRNKSSA-N 422.460 3.960 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(N)c(N)cc3[nH]1)C(=O)OC2 586915443 NHWXEHWQVARDDA-NYYWCZLTSA-N 422.485 3.542 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)c(F)c3[nH]2)cc1 586941816 WYNLMYMXXOAKGS-CMDGGOBGSA-N 424.295 3.863 0 1 HHAF CC[C@H](c1nc2ccc(Cl)nc2[nH]1)n1cc(I)c(C)n1 587185044 IBJYQRXGIRTATM-SNVBAGLBSA-N 401.639 3.720 0 1 HHAF Nc1ncc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cn1 587254516 KWFHXDJMDYGVEU-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 587327500 GUHHGEGBBCJEOJ-DENIHFKCSA-N 414.816 3.750 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(NN)c2ccccc12 587859727 HNURSPNRXCCBAY-UHFFFAOYSA-N 415.284 4.474 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 587867837 CMXFRPHNNAAHNM-CJKMCJCZSA-N 421.419 3.944 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)cc1 587923768 NCHRMMWNAWYILC-GDNBJRDFSA-N 416.480 3.512 0 1 HHAF COc1cc([C@H]2NCCc3ccc(F)c(C)c32)cc(Br)c1OCC(=O)O 962145458 MDGWTYCTLKXCOC-GOSISDBHSA-N 424.266 3.604 0 1 HHAF C1=CC2(C=CN1c1ncccn1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962644634 WXVKSDCPXGWBIR-QHCPKHFHSA-N 407.521 3.966 0 1 HHAF CSC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963488908 GWDQGYYZBJOYKW-LPHOPBHVSA-N 411.445 3.925 0 1 HHAF CCOC(=O)c1c(N)sc([C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1C 963586556 VWIUFZFAYYMJFS-MQJDWESPSA-N 404.532 3.630 0 1 HHAF Cc1nc(-c2ccc(Cc3cc4c(cc3C)CN([C@H]3CCOC[C@@H]3O)C4=O)cc2)co1 1772576823 VIPKTTPKTQSHOA-ZEQRLZLVSA-N 418.493 3.655 0 1 HHAF O=C(NCCCO)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772603803 SVFYBIGKGWSMHK-ZRDIBKRKSA-N 413.481 3.984 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)OCC(F)F)c2cn1)c1ccc(F)cc1 1772605184 BUSFKJIGGLFLMV-SECBINFHSA-N 422.367 3.793 0 1 HHAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)OC)ncc12 1772653057 XHOZKNUFDOFXBZ-KRWDZBQOSA-N 400.458 3.817 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(F)c2)c(Cl)[nH]1 1857574807 FLUCTJIXNVBQKY-OAHLLOKOSA-N 405.861 3.811 0 1 HHAF CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n21 892082 DCRWPZAGXDKBKY-UHFFFAOYSA-N 408.483 3.696 0 3 HHAF FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1 4056497 XJFJINZMGHGLPK-UHFFFAOYSA-N 414.391 3.877 0 3 HHAF COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61897286 VXNMMJLLQCGWKY-HSZRJFAPSA-N 404.422 3.818 0 3 HHAF O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)c1ccc(Br)cc1 103827415 LBJDICNHPZIURQ-UHFFFAOYSA-N 417.284 3.676 0 3 HHAF CCc1ccc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2128347 FSHCUIGWBOZMEV-RXFWQSSRSA-N 413.521 3.924 0 1 HHAF biogenic CO[C@]1(c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)CCCO1 28395248 WCXDKARFAAZQFT-OAQYLSRUSA-N 416.474 3.692 0 1 HHAF CN(C)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(NS(C)(=O)=O)cc2)cc1 29406909 GFSSPOGZPVYEQV-UHFFFAOYSA-N 424.448 3.996 0 1 HHAF O=S(=O)(c1ccccc1)N1CCc2c(cccc2OCCCN2CCCCC2)C1 40565809 PPZFZBFYDQVHFG-UHFFFAOYSA-N 414.571 3.688 0 1 HHAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(C(C)=O)c3)n2n1 40914240 VXFCQEFJOIRURA-UHFFFAOYSA-N 400.442 3.802 0 1 HHAF CCOC(=O)CC1=C(NC(C)=O)Oc2ccc(-c3ccccc3)cc2[C@H]1C(=O)OCC 72113289 CZVLICRLPHNUBA-JOCHJYFZSA-N 423.465 3.694 0 1 HHAF CCc1cc(=O)c2ccc(OC)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 72116658 CJQLHACJLUIDFU-PKTZIBPZSA-N 414.454 3.529 0 1 HHAF CCCCCCOc1ccc(-c2nc(C(=O)NCC(=O)NCCCC)co2)cc1 82072075 BZBQVLFFGAWDPR-UHFFFAOYSA-N 401.507 3.947 0 1 HHAF NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 84733507 SHWDGZATBYCHDN-QFIPXVFZSA-N 413.477 3.696 0 1 HHAF Cc1cc(C)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 96172451 QFRKAGWWYORDAC-XLIONFOSSA-N 416.529 3.574 0 1 HHAF Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCOCC2)cn1 141428427 BVFJTUGLGFIJID-UHFFFAOYSA-N 413.861 3.750 0 1 HHAF CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C(F)F)cc3)C2)ccn1 169709427 FZDYNZOYJBDFCM-KXBFYZLASA-N 419.472 3.969 0 1 HHAF COC[C@H]1Cc2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@H]1COC 238745751 CZZKSEXMNQGXJU-VUMVONDWSA-N 416.514 3.934 0 1 HHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@@H]2c1ccc(Br)cc1 299872464 AAROUFDRHLFPRV-PREXVCJDSA-N 405.336 3.720 0 1 HHAF CN=c1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)c(O)c(F)c2)c[nH]1 473087664 GIFPFLKKKQLPLV-UHFFFAOYSA-N 410.468 3.615 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Br)ccnc2[nH]1 586973625 PTBZRLFEZXFTKE-AWEZNQCLSA-N 405.321 3.831 0 1 HHAF O=C(NCc1nc2cccc(I)c2[nH]1)c1cc2c(s1)CCC2 587034738 KOZGLSRVXOWKKW-UHFFFAOYSA-N 423.279 3.648 0 1 HHAF NC(=O)Nc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 587244202 YDHBSNUGSLPITD-UHFFFAOYSA-N 411.057 3.641 0 1 HHAF COc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355765 ZWNAXEQQWDXQPJ-NZQKXSOJSA-N 408.381 3.879 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C3CCN(C(=O)OC(C)C)CC3)c1)O2 587392118 QZSOPZUKYXQENE-HXUWFJFHSA-N 412.490 3.662 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587395868 VHNPADNPPHUAIV-QHCPKHFHSA-N 422.437 3.660 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597080 UMBRXMQDVRJRIK-OKZTYKJMSA-N 423.465 3.979 0 1 HHAF O=C(O)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598821 VLDCSSFVWAJRBI-NZQKXSOJSA-N 406.390 3.949 0 1 HHAF C[C@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605514 DBQFNSWKAKYSNE-SIKLNZKXSA-N 410.447 3.586 0 1 HHAF O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587945794 QDHOYJTZNWHULB-AWEZNQCLSA-N 419.336 3.602 0 1 HHAF Cc1cccc([C@@]2(CCC(=O)O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962975905 NFGCKTCDEKGZCH-FOIQADDNSA-N 409.816 3.634 0 1 HHAF COC1=C(C(C)C)[C@@H]2CC=C(C)[C@@H]3OC(=O)C[C@@H]3C(=O)[C@@H](C)CC[C@]2(C)OC1=O 2356406920 LDNGIXCVOPOZFN-WAQICBHDSA-N 404.503 3.742 0 1 HHAF COc1cc(CC[C@]2(OC(C)=O)CC[C@@H](CCCCCCO)[C@H](O)C2)ccc1O 2356512977 MZUJFBWKTSQUIW-LSWJPFSZSA-N 408.535 3.739 0 1 HHAF COc1cc(NC(=O)c2nccn2C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 13682509 XIFWDNXQRCQEKK-UHFFFAOYSA-N 418.375 3.952 0 3 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 786050 OFKNZQVVDSXAEA-PVPSJYBTSA-N 418.537 3.943 0 1 HHAF O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCO4)cc(F)cc21 1541478 ORAMRCVMCRAGJE-UHFFFAOYSA-N 401.434 3.511 0 1 HHAF COc1cc(/C=C/c2ccc(OC)c(OC(C)=O)c2OC(C)=O)cc(OC)c1OC 1612341 WKBAIQKBJAZKOF-BQYQJAHWSA-N 416.426 3.742 0 1 HHAF CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3cccs3)c2n1 4238977 KBKLNWIBNAKHCL-UHFFFAOYSA-N 416.510 3.887 0 1 HHAF CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2COC(C)=O)c1C 13820740 QVTOXGVMWHKHEO-MHZLTWQESA-N 403.529 3.680 0 1 HHAF O=C(CCCN1CCN(CC[C@@H]2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1 22033457 ZOXIJGNVMSVOEF-OAQYLSRUSA-N 408.517 3.852 0 1 HHAF CC(C)(CO[N+](=O)[O-])C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2 29136211 VVIZOXPPUTVPJG-UHFFFAOYSA-N 414.506 3.656 0 1 HHAF O=C(CNC(=O)c1ccc(F)cc1)NCC1c2ccccc2CCc2ccccc21 40918518 WDADGFYGRSIPGG-UHFFFAOYSA-N 402.469 3.602 0 1 HHAF CC(C)=CCNC(=N)NCCCCCCCCNCCCCCCCCNC(=N)N 43070040 KBLXBLQFVSSCNM-UHFFFAOYSA-N 423.694 3.820 0 1 HHAF CCN(CC)CCN1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c(C)c2C1=O 64447635 DIWNHTDZEZGKJK-JXAWBTAJSA-N 424.520 3.685 0 1 HHAF CCCCNCC(=O)Nc1ccc(Cc2ccc(NC(=O)CNCCCC)cc2)cc1 66075150 KLVJDGTVEUFRAJ-UHFFFAOYSA-N 424.589 3.934 0 1 HHAF CC(=O)NCCn1c(C(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179005 VAALVBPOFZRLFT-UHFFFAOYSA-N 420.439 3.717 0 1 HHAF COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3C(F)(F)F)cnc2N)cn1 95574027 KBNXAJBSRRGHSK-UHFFFAOYSA-N 423.416 3.824 0 1 HHAF O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893434 QGXLTBAJCUHLHN-FSSWDIPSSA-N 423.488 3.723 0 1 HHAF Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5Cl)n4)CCC3)cn2)cn1 96175489 VMGJXFZZUOBBJZ-UHFFFAOYSA-N 405.849 3.689 0 1 HHAF CC1(C)[C@@H](NC(=O)c2cn(CCCCO)c3cc(F)ccc3c2=O)[C@]2(C)CC[C@@H]1C2 101541122 DCAQOIFRIIZYDR-PKAUSPCKSA-N 414.521 3.858 0 1 HHAF CCNc1nc(-c2ccc(C3CCN(CC)CC3)c(F)c2)cc2ncn(C)c(=O)c12 115624051 KTHPOXDGPVKTBA-UHFFFAOYSA-N 409.509 3.766 0 1 HHAF Cn1nc(Nc2cccc([C@]3(C)COCC(N)=N3)c2)c2ccc(Br)cc21 147397044 ULLQWIFBVSWJHE-IBGZPJMESA-N 414.307 3.682 0 1 HHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(O[C@H]4CCOC4)cc3)oc2c1 168625823 YGXNSORNXNCSOR-KDOFPFPSSA-N 405.454 3.913 0 1 HHAF CC(=O)OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(I)cc1 253690412 FCQURNVPSIDFJC-IOUJCOQNSA-N 423.294 3.720 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC/C=C/I)[C@H](c1ccccc1)C2 253782714 PTARSFHGDDMYOJ-BXGDEJFDSA-N 411.283 3.745 0 1 HHAF CSc1sc(-c2nc3cc(N)ncc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919958 JQPFXJFYPJPULL-UHFFFAOYSA-N 402.954 3.826 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587042185 JBKJQZHSRROWLZ-MRVPVSSYSA-N 403.733 3.994 0 1 HHAF O=c1cccc(-c2nc3nc(Cl)ncc3[nH]2)n1CCOc1ccccc1Cl 587063969 GUSHQMVXGWJJHO-UHFFFAOYSA-N 402.241 3.567 0 1 HHAF OCc1ccc(F)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587140575 NTBCEJMDACRHGE-UHFFFAOYSA-N 403.582 3.514 0 1 HHAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(N)ncc3[nH]2)c1C 587165586 DUYPGZALLAHNKN-UHFFFAOYSA-N 407.449 3.876 0 1 HHAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1 587169646 FWHFKMUEFPCSRE-KRWDZBQOSA-N 416.865 3.818 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCC(O)CC1 587237497 RNLOXRRAZPXPQK-UHFFFAOYSA-N 400.401 3.632 0 1 HHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587241820 KEZFNTXCFPPENE-UHFFFAOYSA-N 403.460 3.686 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587258201 ABLVSYSTVXOHHO-AWEZNQCLSA-N 414.391 3.895 0 1 HHAF COCCn1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587581418 LCPUGOGTSSBCKZ-REWPJTCUSA-N 408.454 3.729 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582332 ZSTOSZDITDQOKR-IUZBSBKLSA-N 419.433 3.608 0 1 HHAF Cc1cc(C)c([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587826088 KAFDDOXELHOICR-RBZFPXEDSA-N 408.311 3.602 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 587931835 OSQZJHSXMBQUMK-HNNXBMFYSA-N 401.532 3.996 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587947296 VOOHQIYQVOYKAB-INIZCTEOSA-N 413.543 3.922 0 1 HHAF Cc1c2c(nn1C)[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)N[C@H](C(=O)O)C2 962705834 FLCAHCIABAFSAZ-KSSFIOAISA-N 406.269 3.984 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(=O)c3ccccc3[nH]2)N1 963180357 PWNAMPAFSZJTCQ-KBXCAEBGSA-N 422.790 3.889 0 1 HHAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccc5ncccc45)c(=O)n1c23 1857592691 ZFTMYTVAAQJGEF-ZDUSSCGKSA-N 417.440 3.832 0 1 HHAF CC1=C2CC[C@]3(C)[C@H]4[C@H](CC[C@@]23CN1C)[C@@]1(C)CC[C@H](N(C)C)[C@@H](C)[C@]1(O)C[C@H]4O 2356563466 FKTUIAROLJADNJ-VHNYCAOSSA-N 416.650 3.881 0 1 HHAF CC(C)c1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cs1 11753437 YSVJEBKDVPGPKT-MRXNPFEDSA-N 403.523 3.503 0 3 HHAF Cc1cccnc1C1=NO[C@H](Cc2ccccc2)C(=O)N1CCOc1ccc(F)cc1 61905316 IDJNAHQWFXDHDY-OAQYLSRUSA-N 419.456 3.740 0 3 HHAF CCOC(=O)C[C@]1(C)Oc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C)cc1 95566767 STJFKLMHAWQWJB-IBGZPJMESA-N 409.891 3.906 0 3 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N 4036931 QZEZCFMOXLGNLG-GGAORHGYSA-N 401.466 3.686 0 1 HHAF O=C(CCCN1CCN(C[C@H]2CC(=O)c3ccccc3C2)CC1)c1ccc(F)cc1 22925153 WIVGCTVBLDUZMD-LJQANCHMSA-N 408.517 3.852 0 1 HHAF COc1cc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@@H](C)O)cc(OC)c1OC 71319235 ONGNWTVGGRQPGB-WJHGTXIHSA-N 404.459 3.660 0 1 HHAF O=C(c1cccc(F)c1C(F)(F)F)c1nc(CN2CCOCC2)c2ccccn12 71329650 ZQYMYNTXESIPRE-UHFFFAOYSA-N 407.367 3.555 0 1 HHAF CCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F 72182083 JUSHQVSAZJMNNM-UHFFFAOYSA-N 408.430 3.635 0 1 HHAF COc1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1 73281018 MYMOQKFPODBRKH-UHFFFAOYSA-N 416.478 3.678 0 1 HHAF CN1CCC(Oc2ccc3c(c2)C(=O)c2cc(OC4CCN(C)CC4)ccc2-3)CC1 82152052 FJJGGTBKCRIRHH-UHFFFAOYSA-N 406.526 3.844 0 1 HHAF Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3CCCN2CCCC2=O)cc1 82179359 ZYDNDHUMNYSFTP-UHFFFAOYSA-N 406.534 3.883 0 1 HHAF CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207687 YUOMEBPLWLVJLH-IBGZPJMESA-N 406.530 3.874 0 1 HHAF CC(C)(C)CC(=O)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 96169518 TUTZPAJFLXAIQH-PBHICJAKSA-N 412.452 3.875 0 1 HHAF OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(C3CCCC3)cs2)cc1 96273996 UMRSKZNPJDYHCD-UXHICEINSA-N 401.576 3.904 0 1 HHAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)C(F)F)cc1 103197439 ZDQRTXYGPFBCJM-NDEPHWFRSA-N 424.322 3.892 0 1 HHAF COc1ccccc1-c1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12 147022028 CIMSNKLORQZMGF-UHFFFAOYSA-N 414.513 3.900 0 1 HHAF COc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 169363037 AFXKNDHWOJNFSQ-BHIFYINESA-N 410.543 3.775 0 1 HHAF COC[C@@H]1C=Cc2c(c3ccccc3n(C)c2=O)[C@H]1c1cc2c(cc1OC)OCO2 215272937 AUWKBILYNITFJV-RCDICMHDSA-N 405.450 3.697 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1OC[C@H](C2)[C@@H]1C 238747887 UMKWQFKMJHNWEV-MJLGCCKJSA-N 414.454 3.996 0 1 HHAF COc1cc(OC)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3OC)oc2c1 238786913 LSOXXVVXTACYFO-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF CC[C@H](C)CN1CCN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C1=N 299856163 CFVPGMMRGSUDGB-HAMDTZRPSA-N 404.647 3.790 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2c1 587095243 ZLFWOBRSAQELOM-ZETCQYMHSA-N 422.201 3.632 0 1 HHAF COC(=O)CCc1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 587437229 YIRZVQYNQKHILZ-VOIUYBSRSA-N 405.450 3.851 0 1 HHAF CCOC(=O)[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566971 CQQOGLIPGDXWJT-AUSIDOKSSA-N 408.381 3.952 0 1 HHAF C[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590805 AUIGINFSSDAMMO-OFNKIYASSA-N 406.390 3.733 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)cc2Br)N1 587681671 KFUHSTVNUGBHPZ-CPFSXVBKSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCNC3=O)c2)N1 587765003 HZIYOCQXHXFVKP-YUNKPMOVSA-N 418.310 3.916 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587766747 WYRGHVDKXIFEIK-GYHBZHIHSA-N 421.358 3.966 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(C(=O)OC)cn1 587860288 QDIKHCJYGNWHLQ-UHFFFAOYSA-N 423.256 3.579 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c(Br)ccnc2F)N1 962968718 DNUXMUJGSVGFJT-NOZJJQNGSA-N 421.600 3.603 0 1 HHAF C[S@@](=O)c1cccc(Nc2cnc3ccc(-c4cccc([S@](C)=O)c4)nn23)c1 1857542620 XWPWVNMKBKNICN-WUFINQPMSA-N 410.524 3.615 0 1 HHAF Nc1ncnc2c1c(-c1ccc3nc(OC4CC4)ccc3c1)nn2CC1CCOCC1 1857574996 NORRNSHOSUHRSH-UHFFFAOYSA-N 416.485 3.592 0 1 HHAF CN1CCN(c2ccc(-c3cn4c(-c5ccccc5Cl)cnc4cn3)cn2)CC1 1857615940 KYGITFPNSUJJGY-UHFFFAOYSA-N 404.905 3.864 0 1 HHAF Cc1c2c(ccc3c(=NCc4ccc(C(=O)NCC(C)(C)C)cc4)[nH]cnc32)nn1C 1911571833 AKJGKPUSUCMFKM-UHFFFAOYSA-N 416.529 3.635 0 1 HHAF CC(C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C[C@H](C)CCCCCC(=O)O 2356431939 KUYFQMXHLKRNIU-UZLBHIALSA-N 417.502 3.678 0 1 HHAF CC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]4O[C@@H]2CC(C)=CC[C@@H](OC(C)=O)[C@@]4(C)OC[C@@H](C)[C@H]3C[C@H]1C 2356789218 DAJIKNUNDGBDIF-NVADCMKFSA-N 420.546 3.671 0 1 HHAF O=C(Nc1cc(CNC2CCCCC2)[nH]n1)Nc1cccc2c1[C@H]1CCCN1C2=O 12355154 USHHXZCACPUXMF-GOSISDBHSA-N 408.506 3.767 0 1 HHAF CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCCc2ccccc2)cc1 13441899 GXDYUJHLPNEPQM-QFIPXVFZSA-N 414.571 3.541 0 1 HHAF CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 13472644 GEGXMHIWSPDDTL-UHFFFAOYSA-N 422.506 3.734 0 1 HHAF O=C(NCc1ccccc1)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15968359 VPYBFLRKPGJWAB-ISKFKSNPSA-N 407.473 3.954 0 1 HHAF biogenic Cc1cc(C)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 96172450 QFRKAGWWYORDAC-YLJYHZDGSA-N 416.529 3.574 0 1 HHAF CNc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)c1 96271661 FVBGMVCGCLYUPI-UHFFFAOYSA-N 406.452 3.983 0 1 HHAF CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 101668534 UIDFTBVOAOGUDZ-ONPHVVPRSA-N 405.542 3.935 0 1 HHAF Cc1nc([C@](C)(CC2CC2)NC(=O)c2cc(O[C@@H](C)CF)c(C3CC3)cn2)no1 146280236 AQBSFPKMGMIOKK-QKVFXAPYSA-N 402.470 3.833 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2C#N)c2cc[nH]c2c1=O 146729424 GLARVCMETZHVMV-UHFFFAOYSA-N 419.462 3.601 0 1 HHAF CC1(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CCCC1 148442141 WSHSYFLVJQWDJH-KRWDZBQOSA-N 400.544 3.750 0 1 HHAF O=C1NN=C(c2ccc3nc(-c4ccc(CN5CCCCC5)cc4)oc3c2)[C@@H]2C[C@@H]12 168971686 RMFWPFHJDLPTSH-RTBURBONSA-N 400.482 3.951 0 1 HHAF COC(=O)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586936749 KAOVHERZAHUNFB-MRXNPFEDSA-N 421.906 3.679 0 1 HHAF CC(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586950894 LMXNGBXQCYPIOH-UHFFFAOYSA-N 412.515 3.698 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335323 JOXUAPLLCNQTJU-YJQUNDCJSA-N 413.445 3.658 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O 587438413 PADCCZSIJFPLNN-YOQPTCTGSA-N 407.466 3.860 0 1 HHAF Cn1ncc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538804 GNAFALRUXSPILI-DNVCBOLYSA-N 415.243 3.765 0 1 HHAF C[C@@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595708 QFIKNYUVEGECDM-YKSBVNFPSA-N 414.417 3.523 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cscn1)CC2 587620147 XXBAVZQUXZSPPN-LJQANCHMSA-N 408.479 3.845 0 1 HHAF COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587734736 VKFCNCUSWIPSHI-DYBLOJMWSA-N 412.230 3.598 0 1 HHAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(=O)O 587790278 FHMWDHRCNYETDO-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccccc3C)c2O)c(O[C@@H]2CCOC2)c1 587926358 NKPXXTJBYGUIDO-MRXNPFEDSA-N 409.438 3.818 0 1 HHAF COC(=O)c1ccc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2n1 587927004 MLQFMUSYTXKCFK-UHFFFAOYSA-N 405.410 3.801 0 1 HHAF O=C(O)c1cccc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c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c1ccccc1Br 36381740 SNASMEGHHORLRH-KIRIBPPYSA-N 408.214 3.924 0 3 HHAF NC(=O)c1cccc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)n1 61906233 GYVKSOUIVANKAX-LBPRGKRZSA-N 407.421 3.642 0 3 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 599628 WHOYCZAZHQFDDJ-QMHWCDLVSA-N 401.572 3.564 0 1 HHAF O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ncccn2)CC1 1892472 OGPYTXGYWMCRCN-UHFFFAOYSA-N 410.905 3.918 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 2489561 ZYLCWBOJIVUVNL-HXUWFJFHSA-N 413.562 3.517 0 1 HHAF Cc1c(N2CC[C@@H](c3ccccn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3646677 HINKRPOWVCYAFN-OAHLLOKOSA-N 407.445 3.712 0 1 HHAF CCCNC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C)N2C1=O 8474105 FUFZQPJEHMZYBR-VBKZILBWSA-N 416.481 3.762 0 1 HHAF biogenic COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2ccc3ccccc3c2)O1 13517503 WNAWDSJLRZSVNW-HYBUGGRVSA-N 409.482 3.940 0 1 HHAF CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)nc3)cccc12 13761353 HFDGZOCJFKXXRM-UHFFFAOYSA-N 406.305 3.864 0 1 HHAF O=C1NC[C@@H](c2c[nH]c3ccccc23)N[C@@H]1c1c[nH]c2cc(Br)ccc12 15266954 LQTWCUFHWBBBGT-RBUKOAKNSA-N 409.287 3.914 0 1 HHAF biogenic CN(C)CCCNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 29567793 OQUMYZBQNXBSEZ-UHFFFAOYSA-N 415.967 3.889 0 1 HHAF CC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)OCC1)[C@H]2c1ccc(F)c(Br)c1 40568094 VINBRMNMPKMHAE-QWHCGFSZSA-N 408.223 3.906 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@@H]2CC[C@@H]1N2C 137563888 ABXUYGWOEIXKBD-HVSCLNRPSA-N 411.283 3.832 0 1 HHAF COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4n3C)CC2)c1 166413850 KXFNVJFOSNKNAT-UHFFFAOYSA-N 420.557 3.519 0 1 HHAF COc1ccc2cccc(CCNC(=O)C3CN(C(=O)c4ccc(Cl)cc4)C3)c2c1 169351174 HKGNIWHXTBUGCH-UHFFFAOYSA-N 422.912 3.933 0 1 HHAF Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(Cl)cc1Cl 169706120 AWQPGNYDFYTVEE-UHFFFAOYSA-N 414.300 3.948 0 1 HHAF CCn1cc(-c2cc3c(-c4cccc(N[C@H]5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1 205262893 BSOSQKZSTMNSEC-HOTGVXAUSA-N 402.506 3.585 0 1 HHAF COC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586937043 KKLSNIDWGRIOSJ-QGZVFWFLSA-N 421.906 3.679 0 1 HHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 587121457 FEUHQZMOTOACIU-UHFFFAOYSA-N 422.388 3.633 0 1 HHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cn1 587247766 SOZARUVFWHVLLH-UHFFFAOYSA-N 417.473 3.669 0 1 HHAF CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 587438397 OWYZVUSAYALELB-YKSBVNFPSA-N 421.493 3.963 0 1 HHAF C[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531665 KPCPQOGMNABBNY-FQEVSTJZSA-N 405.903 3.747 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC 587772450 VLIFNFKHZZGEHG-XXFAHNHDSA-N 411.271 3.633 0 1 HHAF Cc1nnc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)s1 587852758 INEREGLPOBMPFI-JTQLQIEISA-N 411.344 3.778 0 1 HHAF CN(C)c1ccc(-c2cnc3cnc(-c4cccc(NS(C)(=O)=O)c4)cn23)cc1 653664709 ILMRPTDALUOMTR-UHFFFAOYSA-N 407.499 3.501 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(CCCc4c3sc3nccn43)N12 962661626 HYZBGSWYFHQTJW-XZOQPEGZSA-N 418.522 3.623 0 1 HHAF Cc1cc2c(cc1O)[C@](c1cccc(F)c1F)(c1ncccc1C)N[C@H](C(=O)O)C2 963521841 CRTMAWPOTZKKCZ-FDDCHVKYSA-N 410.420 3.573 0 1 HHAF COC(=O)[C@@H]1SC2(CCCC2)SC[C@]12N[C@H](C)Cc1c(OC)ccc(OC)c12 963602684 ARWBLSWELUHLOO-LZHZSBQWSA-N 423.600 3.725 0 1 HHAF CCCCCc1cn([C@@H]2CCN(C(=O)c3ccccc3N=c3cc[nH]cc3)C2)nn1 1772627129 LHTGVBZZANHDEO-HXUWFJFHSA-N 404.518 3.659 0 1 HHAF Clc1ccc(-c2nc3ccc(-c4cncnc4)cn3c2CN2CCOCC2)cc1 1857771860 OXKBFRPYOYMWPD-UHFFFAOYSA-N 405.889 3.944 0 1 HHAF S=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21)Nc1ccccc1 2356829294 IWUNHCQYRXSHDE-RZUBCFFCSA-N 406.599 3.746 0 1 HHAF O=C(Cn1cc(COc2ccc(C(=O)c3ccccc3)cc2)nn1)c1ccc(O)cc1 61931026 HBOMYLQQLDEUKQ-UHFFFAOYSA-N 413.433 3.677 0 3 HHAF CCN(CC)c1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccsc12 20516350 AMDWZBKKXZXSKL-UHFFFAOYSA-N 421.935 3.671 0 1 HHAF CCc1ccccc1NC(=O)CCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1 26747911 ULPVRDIUCGXCNO-LJQANCHMSA-N 402.542 3.801 0 1 HHAF Cc1onc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1I 29485953 KVIUMIHQYWJWNQ-UHFFFAOYSA-N 420.272 3.686 0 1 HHAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]12 39162878 FJUOWUVQEVUWDX-MAVWPOPNSA-N 404.591 3.888 0 1 HHAF N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]2C1 58541460 XBHGTEQGRIWAQJ-XAEJFWIOSA-N 413.873 3.807 0 1 HHAF O=S(=O)(Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1)c1ccccc1F 82082085 DIKJGKWREDGISB-UHFFFAOYSA-N 402.838 3.990 0 1 HHAF CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC)cc4)ncc3c2)ccn1 82154244 ASWKLFMEBXMNBX-UHFFFAOYSA-N 401.426 3.929 0 1 HHAF N[C@@H]1C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)CC[C@@H]1O 96177728 JENAOUPDUORLHU-ZFGLAFRWSA-N 423.463 3.803 0 1 HHAF O=C(c1ccc(F)cc1)c1ccc(F)cc1/C=C/OCCN1CCC[C@H](C(=O)O)C1 96923625 VOVWUPWYAVRKSJ-PEKVBPLLSA-N 415.436 3.980 0 1 HHAF COc1cccc(Cn2nc(C(F)(F)F)c(Cc3ccc4c(c3)OCO4)c2O)c1 100775527 GJYOVRNJWZCBEZ-UHFFFAOYSA-N 406.360 3.984 0 1 HHAF CNC(=O)c1cccc(Nc2nccc(N3CC(COc4ccc(Cl)cc4)C3)n2)c1 118589389 UWVOLHUZSCJQLE-UHFFFAOYSA-N 423.904 3.748 0 1 HHAF CCCCNC(=O)[C@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C 136476837 PSNMYWMTDQWJRI-INIZCTEOSA-N 412.563 3.753 0 1 HHAF Cc1oc(C(C)(C)C)nc1COc1ccc(C[C@H]2CO[C@](C)(C(=O)O)OC2)cc1 139663943 WWKZTRIJOLBMRO-MIRVZWSXSA-N 403.475 3.866 0 1 HHAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2cccc(OC(F)F)c2)n[nH]1 150101186 NEXBWZXAYGKXRU-LJQANCHMSA-N 414.412 3.591 0 1 HHAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3cn[nH]c3cc2[nH]1 586945877 MNTFXKLBYDZPTC-UHFFFAOYSA-N 415.525 3.708 0 1 HHAF COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 586961911 UBCUHXKQSPZIDQ-KYNGSXCRSA-N 412.515 3.661 0 1 HHAF Oc1nc2cc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3cc2[nH]1 586965974 AUFNYROILLBKST-UHFFFAOYSA-N 417.498 3.954 0 1 HHAF COc1cc(/C=C\c2nc3ccc(S(C)(=O)=O)cc3[nH]2)ccc1Br 586976668 GVMJSUAVIZADQQ-YWEYNIOJSA-N 407.289 3.908 0 1 HHAF O=C1C[C@@H](Cc2nc3cc4c(cc3[nH]2)OCO4)c2c(Br)cccc2O1 587001925 AWWWZPRWHNVVCH-SECBINFHSA-N 401.216 3.690 0 1 HHAF Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2n1 587109581 ZJYHRJODKWEVGP-AWEZNQCLSA-N 410.421 3.811 0 1 HHAF COC(=O)[C@@]1(c2c[nH]c3cc(F)ccc23)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962563406 GFXSRGCGXUXRNC-ZAMGYDSWSA-N 412.461 3.617 0 1 HHAF CC1(C)C[C@@]2(c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c2ccc(O)cc2O1 962658978 FAJQXIIFTAVYPI-JWQCQUIFSA-N 418.493 3.844 0 1 HHAF COc1cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1-n1cnc(C)c1 962728194 CQXQNEUDMDERPW-FXAWDEMLSA-N 415.415 3.924 0 1 HHAF COC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963166131 CKJDTQHRLAAASA-PIGZYNQJSA-N 407.816 3.762 0 1 HHAF CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCCO3)c(O)cc1OCC(=O)O 1772592479 JUYJHNPLRSEEEU-UHFFFAOYSA-N 424.453 3.945 0 1 HHAF O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)N1CCNCC1 1772651455 PTSATUTWTZMQBS-UHFFFAOYSA-N 401.297 3.892 0 1 HHAF COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1cncc2ccccc12 1857568241 GSHJIIAYCVNFDZ-UHFFFAOYSA-N 419.506 3.812 0 1 HHAF Cc1cc(C)c(S(=O)(=O)NC(=O)[C@H](F)Oc2ccc3ccccc3c2)c(C)c1 1857620322 CEYYYBHLNSKQIQ-HXUWFJFHSA-N 401.459 3.945 0 1 HHAF CCOC(=O)c1cn(Cc2cn(-c3ccc(Cl)cc3)nn2)c2ccc(C)cc2c1=O 1911574220 JVSKNCMBDMEIIM-UHFFFAOYSA-N 422.872 3.769 0 1 HHAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@@H](COC(C)=O)[C@@]2(C)CCc1ccoc1 2356485884 WVLBBIUEFLDDRO-GPVBXEKASA-N 404.503 3.678 0 1 HHAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)([C@H](O)[C@@H]4[C@@H]4O[C@@H](C)[C@@H](C)O4)[C@@]3(C)CC[C@@]2(C)CC1 2356702389 AKDMKHJGBWDSQM-PRRSWDIWSA-N 406.563 3.774 0 1 HHAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 72104323 SMUNMAPRFOMDGB-XOJVXBCLSA-N 416.573 3.894 0 3 HHAF CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4cccc(F)c4)c(C)c23)c1 3819155 IJDJUWMVHGHDLM-UHFFFAOYSA-N 417.444 3.819 0 1 HHAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1cn(C)c2ccccc12 4792904 AUNYQPIQUYZOSQ-RPWUZVMVSA-N 424.504 3.800 0 1 HHAF CCN(CC)CCc1cn(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 13553361 VUHRQSCYPHRQEH-UHFFFAOYSA-N 413.543 3.721 0 1 HHAF COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13740948 JZHLIUOZBXWYGJ-RUZDIDTESA-N 416.429 3.822 0 1 HHAF COc1cc(-c2oc3c(OC)c(OCC=C(C)C)cc(O)c3c(=O)c2O)ccc1O 14727363 PCGBPGFXCMADGM-UHFFFAOYSA-N 414.410 3.939 0 1 HHAF biogenic CC[C@@H]1CN2C(=N1)N(CC)C(=O)c1nc(Cc3ccccc3)n(Cc3ccccc3)c12 28525340 VSBXIBZMROXBMM-HXUWFJFHSA-N 413.525 3.953 0 1 HHAF Cn1c(C2CC2)nc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)nc21 28707356 USXYBWUUQOGWJA-PXAZEXFGSA-N 401.436 3.584 0 1 HHAF CCCCOC(=O)c1c(O)cc(C)cc1Oc1c(OC)cc(O)cc1C(=O)OC 40429288 AMBZQPZFNBPPTD-UHFFFAOYSA-N 404.415 3.951 0 1 HHAF biogenic COc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 95588291 XESNEHWISAPTLL-UHFFFAOYSA-N 404.470 3.617 0 1 HHAF O=C(O)Cn1ccc2cc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)ccc21 114332546 QBXDKOPEYCIHQK-HXUWFJFHSA-N 403.486 3.679 0 1 HHAF N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1 114710444 JBLVXSZFSLHCDT-LJQANCHMSA-N 423.605 3.684 0 1 HHAF C[C@@H]1CC[C@@H](Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1 118561262 NJSXHZBXICPOJY-IEBWSBKVSA-N 413.481 3.888 0 1 HHAF CC(=O)N[C@@H](c1ccccc1)[C@H]1CCCN(CCNC(=O)c2c(C)cccc2C)C1 169369428 GZJVNXHQFXMSIH-UPVQGACJSA-N 407.558 3.623 0 1 HHAF Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2cn1 169700144 NYHFSUBBKRBHFJ-XAYKYTGQSA-N 420.366 3.892 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016863 DGSVCMQKNLGPNS-UHFFFAOYSA-N 419.919 3.652 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc3[nH]ncc3cc2[nH]1 587179861 AOLNDIBMTFBISQ-MRVPVSSYSA-N 406.231 3.878 0 1 HHAF CN(C)CCOc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587202593 BMVGSEHJTGLMIG-GOSISDBHSA-N 404.555 3.985 0 1 HHAF CC(C)Oc1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2cc1Br 587249327 HOKACBNCCQNFDY-UHFFFAOYSA-N 404.264 3.989 0 1 HHAF COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C 587341485 JPUOPWZZIFCAPA-NFBKMPQASA-N 409.413 3.931 0 1 HHAF O=C(O)c1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347444 AXPPBYVBAXIFNQ-AUSIDOKSSA-N 422.364 3.569 0 1 HHAF COc1cc([C@]2([C@@H](C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587355391 XNPNJVVOEGFEFS-PZSUSGJMSA-N 424.424 3.881 0 1 HHAF Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536073 QXLDYDBCAYSDLF-JOCHJYFZSA-N 414.527 4.488 0 1 HHAF COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559454 XNOAIBQIZILFTR-GCJKJVERSA-N 412.344 3.701 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1OCCO2 587607509 HKSPZLBYYNVIET-SIKLNZKXSA-N 406.390 3.875 0 1 HHAF CN1CCc2c(sc(N)c2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587618378 OHTFKJBZFFRMHK-CVDCTZTESA-N 422.506 3.901 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2F)N1 587724430 HXWBSGNPQVIYAM-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 587760030 NSRLJINSMRFTQW-DGIBIBHMSA-N 407.283 3.668 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@@](c2ccc(F)cc2)(c2cnccn2)N1)C(F)(F)F 962731218 QHKSBZJTWXLYMK-PXNSSMCTSA-N 401.363 3.553 0 1 HHAF Brc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772592318 AFDWDVPKCPNREC-UHFFFAOYSA-N 411.307 3.748 0 1 HHAF C[C@@H](CC(=O)O)c1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)n1 1857644603 FWKHYTJUMWATOO-JTQLQIEISA-N 407.348 3.601 0 1 HHAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O 2356352137 NSTQDXIOQMRTQA-FPOVZHCZSA-N 407.551 3.719 0 1 HHAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC(CO)(C[C@@H]3CCCCO3)CC2)cc1 13659306 CWMRNUXSXVHIGM-IBGZPJMESA-N 409.592 3.707 0 3 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 768672 WOYKHZCECIULNJ-PZJWPPBQSA-N 414.889 3.689 0 1 HHAF CC(C=C[C@H](O)CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@H](C)[C@H](O)C(C)=CC(C)C 2356350599 GADFOYPOADGIMS-OLKYXYMISA-N 419.606 3.839 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCOc1ccccc1 4153944 HYARTDWGSDWVAO-GMAHTHKFSA-N 420.465 3.965 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295854 PKBSLSMZIIHRQU-MJWYBRSISA-N 403.885 3.637 0 1 HHAF Nc1ncnc2c1c(-c1ccccc1)nn2S(=O)(=O)c1cc(Cl)ccc1Cl 103199675 IJSOMGOXZUZMDY-UHFFFAOYSA-N 420.281 3.619 0 1 HHAF CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1 28862234 AZMWVAJCQCQPGQ-CQSZACIVSA-N 420.332 3.508 0 1 HHAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1cccc(C)c1 28702133 UMFFFRFRRSMWEO-LJQANCHMSA-N 408.458 3.746 0 1 HHAF O=C(O)/C=C/c1ccc(C(=O)N[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 26747438 HYYNRMBADINPGB-ANCZKMTESA-N 406.482 3.704 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 110651284 XNZBXPCHRMKLKI-IAGOWNOFSA-N 423.494 3.893 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118921455 LNVIRIWBYIXDHY-BEIJXPHESA-N 420.590 3.745 0 1 HHAF CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccco1)CC(=O)C[C@H]2c1ccccc1Cl 28893298 KXIKFQZCGKVSTO-LSDHHAIUSA-N 402.830 3.986 0 1 HHAF CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2ccc(OC)cc2-n2c(C)nnc21 73295946 WSWDKZBBVIPAKP-SFHVURJKSA-N 423.904 3.656 0 1 HHAF CCCCOCCCNC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084820 FFDILYQQKPOCFW-UHFFFAOYSA-N 409.486 3.548 0 1 HHAF COCCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 82140456 LBIVLGQWQCEMOS-HZPDHXFCSA-N 400.498 3.849 0 1 HHAF O=C(O)CN1C(=O)S/C(=C\c2ccc(-c3cc(=O)c4ccccc4o3)cc2)C1=O 40954563 LGOZXWVADQDSFW-NVMNQCDNSA-N 407.403 3.581 0 1 HHAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c([C@@H]3CC(c4ccccc4)=NO3)n2)cc1 96273297 GPBDAISQSIENJA-FQEVSTJZSA-N 422.510 3.774 0 1 HHAF NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccccc2)c1 143258595 LBDGGIUDYRLMHK-UHFFFAOYSA-N 419.462 3.927 0 1 HHAF Brc1cccc(CSc2nnc(Cn3nnc4ccccc43)o2)c1 96271746 GJSSKQFZNGPPFI-UHFFFAOYSA-N 402.277 3.917 0 1 HHAF O=C(c1csc(C(F)(F)F)n1)c1c(CO)oc2cc(Br)cnc12 587276269 LCUZVMQWEWTLNT-UHFFFAOYSA-N 407.167 3.789 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587746891 IQCTVKZJZZXQHA-APBUJDDRSA-N 409.299 3.985 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522657 GQKMSVIJAMEZFE-RUZDIDTESA-N 422.477 3.957 0 1 HHAF COC(=O)c1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595369 RKGZUMHYAYWDMH-SIKLNZKXSA-N 406.390 3.890 0 1 HHAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 587552813 SOVBHVSLCCXQNB-VGOFRKELSA-N 407.809 3.879 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587724471 IFYMQGRUNIOBON-XYZCENFISA-N 416.287 3.754 0 1 HHAF CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587768134 CNVYQZBHPUPJHX-WLRWDXFRSA-N 407.283 3.958 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C(=O)OC)c3[nH]2)cc1 587038919 CFIPHTUNWCNNPV-KRWDZBQOSA-N 411.483 3.636 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587043035 OXXXITALSMQYCA-KRWDZBQOSA-N 413.499 3.867 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(O)cc2[nH]1 586934590 BZVBXEKOXKFIPH-INIZCTEOSA-N 405.545 3.658 0 1 HHAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587606060 GHRKZJSUFYVNRM-LPHOPBHVSA-N 402.449 3.560 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)C2(CCN(c3ccc(F)cc3F)CC2)N1 963218054 BQEIQPVWPKUHKS-FQEVSTJZSA-N 409.436 3.608 0 1 HHAF CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)cc2OC)c1 1772650770 LRPHKVDMJJPJKR-UHFFFAOYSA-N 414.483 3.615 0 1 HHAF Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc2c1=O 1772612936 GELQJOQQFGAGAR-GOSISDBHSA-N 409.917 3.884 0 1 HHAF O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccnc1 13743430 KSZAEPHFGVGGSB-UHFFFAOYSA-N 408.477 3.732 0 1 HHAF CN1CN(Cc2ccccc2)C(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2 13782367 YKAOMUQLWWJOBI-UHFFFAOYSA-N 423.532 3.555 0 1 HHAF Cc1cc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)nn1C(C)(C)C 206057943 QEQHNHCFSJHZGG-LRDDRELGSA-N 404.873 3.614 0 3 HHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1=O 200050993 UDSGIPOQLFQFCJ-FQEVSTJZSA-N 403.482 3.961 0 3 HHAF COc1ccc2[nH]cc(CCNc3ccnc(-c4ccc(C(=O)N(C)C)cc4)n3)c2c1 4266141 JNANJIVLQNCSHM-UHFFFAOYSA-N 415.497 3.990 0 1 HHAF CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1C 58511327 CMZXJSAVTRAMNW-UHFFFAOYSA-N 411.546 3.890 0 1 HHAF COc1cc([C@H]2CC(c3nc4ccccc4[nH]3)=NN2C(=O)c2ccncc2)ccc1O 103211866 NTOMPWMTQBWSOM-LJQANCHMSA-N 413.437 3.664 0 1 HHAF C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 28759040 BXVVUEGYPVYYSW-CVDCTZTESA-N 408.542 3.814 0 1 HHAF Cc1ccc2c(c1)[n+](=O)c(C(=O)NCC(c1ccccc1)c1ccccc1)c(C)n2O 64428896 PQDGYYAUSNKJGF-UHFFFAOYSA-O 414.485 3.972 0 1 HHAF COc1cc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)NC(C)C)no2)cc(OC)c1C 61903937 YOMQAQDUQAHTRN-QGZVFWFLSA-N 415.490 3.506 0 3 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3COC(=O)[C@@H]3C[C@@H](OC(C)=O)[C@@H]21 2356791636 IULFWSJYZWKMIN-LKQLUIDSSA-N 420.546 3.903 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCC[C@@H](O)C1)C(=O)N2 219270632 UXFXOEGGFKVCDW-NTKDMRAZSA-N 403.482 3.611 0 1 HHAF COc1c(Br)c2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72118798 AHJGQJCRRIJCJU-CYBMUJFWSA-N 418.287 3.947 0 1 HHAF O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1 73168687 VJYPCFXJHGMCCY-UHFFFAOYSA-N 408.593 3.897 0 1 HHAF O=C(O)Cc1cccc(-c2[nH]nc3c2Cc2cc(CNC4CCC(O)CC4)ccc2-3)c1 71788708 DJSAYUKHLTWCGS-UHFFFAOYSA-N 417.509 3.668 0 1 HHAF CC1=N/C(=C/c2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O 73388147 LCHLZKBAEBXXNK-RCCKNPSSSA-N 422.444 3.707 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccccc4)c32)cc1 40575757 BGFJLDPCWVTNKT-UHFFFAOYSA-N 408.479 3.699 0 1 HHAF CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O 82185952 DYYVHCZDNPIBBZ-UHFFFAOYSA-N 410.497 3.713 0 1 HHAF CC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3F)ccc2c1O)C(=O)O 146767137 MZEXWOZBKFVOHY-UHFFFAOYSA-N 423.400 3.584 0 1 HHAF Cc1cc(F)ccc1-n1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1 96937466 ZIPVHRZKHICRCG-UHFFFAOYSA-N 405.481 3.536 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@@H]2C3(F)F)cc1F 261190780 ZBBLWDKBBLAYBC-FUHWJXTLSA-N 417.449 3.597 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587422826 UXPLXPVLYNFAJM-OZVIIMIRSA-N 401.381 3.657 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2c1 587045872 HQRKOLKSKLGBRE-UHFFFAOYSA-N 409.895 3.676 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(S(C)(=O)=O)c2c1 587650510 YORNTDNTGSJMKD-UHFFFAOYSA-N 417.430 3.661 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3cc(Br)cnc3[nH]2)cc1 586970143 HGKRJTIXHPJSFV-UHFFFAOYSA-N 405.321 3.943 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnc5ccccc5c4[nH]3)CC2)cc1 586955391 WWDLVSADPRWHHK-UHFFFAOYSA-N 406.511 3.988 0 1 HHAF Cc1cc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n2n1 587585506 DZPJLLHOGYYQJB-NZQKXSOJSA-N 401.422 3.929 0 1 HHAF CCOC(=O)C[C@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834237 KIPGRWXGCHYESY-CWTRNNRKSA-N 414.315 3.698 0 1 HHAF O=C(O)C1=COc2ccc(F)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587572198 UHSRELRUVDMSKN-AUSIDOKSSA-N 420.348 3.749 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)O2 587375117 CEJGYHMJXQWARX-QGHHPUGFSA-N 420.259 3.898 0 1 HHAF COc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1C 587003903 YDHUCBKDUPIJOA-UHFFFAOYSA-N 416.275 3.611 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 587789203 BJIKIVFYUZWLSU-HDZZMESHSA-N 419.294 3.568 0 1 HHAF NS(=O)(=O)c1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532502 OGPAKYNSUKTTIP-JOCHJYFZSA-N 422.506 3.710 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H]2NCCc3c(C(=O)O)cccc32)C(F)(F)C1 963121878 LZGWGRGJAJDMDF-UZLBHIALSA-N 410.461 3.854 0 1 HHAF COc1ccc(Cl)cc1NC[C@H]1[C@@H](c2ccc(S(=O)(=O)NO)cc2)C1(C)C 208054598 SRVPIZHBQNKZSO-MAUKXSAKSA-N 410.923 3.868 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21 1772601905 JSQYXGHRHJZENX-UHFFFAOYSA-N 417.444 3.959 0 1 HHAF CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)cc(OC)c(OC)c1Br 1772585889 FTAFLBDKDDVKGV-DTWKUNHWSA-N 422.113 3.971 0 1 HHAF O=C(NC[C@H]1CCN1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772616542 RJFOLQADGCDQQM-CQSZACIVSA-N 402.376 3.533 0 1 HHAF COc1ccccc1N1CCN(CCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 13586529 JRRCQQYYVCVERI-JOCHJYFZSA-N 407.558 3.791 0 1 HHAF CCNc1nc(Nc2cn(C(C)(C)c3ccnn3C)nc2C)ncc1C(F)(F)F 204729329 STYGOSMNCGOQPZ-UHFFFAOYSA-N 408.432 3.693 0 1 HHAF COc1cccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1OC 1857545312 NRRKBVGECLBIFF-XMMPIXPASA-N 401.466 3.611 0 1 HHAF BrC1=CN2NC(c3cc4ccccc4n3Cc3ccccc3)=N[C@@H]2N=C1 1857629200 RXESCASGVFVZEM-FQEVSTJZSA-N 406.287 3.861 0 1 HHAF c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2ccccc2cn1 1857744631 OFOOHBCWHFVURK-VWLOTQADSA-N 415.585 3.805 0 1 HHAF CCCS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)C3CC3)c(C(N)=O)c2c1 1857765162 QBWUOBWTPYFERB-UHFFFAOYSA-N 423.560 3.624 0 1 HHAF CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(C(F)(F)F)cc1 225933883 VLKUKBMREASUQY-UHFFFAOYSA-N 404.392 3.794 0 1 HHAF C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1 836135 VCSXJHWBPJEKDI-RVDMUPIBSA-N 419.437 3.776 0 1 HHAF COc1ccc([C@@H]2OC[C@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@@H]32)cc1OC 14641300 UTPBMRNHPNUBLT-XSRQCEPYSA-N 400.427 3.516 0 1 HHAF COC(=O)N1C[C@@H](C(=O)OC(C)C)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 26152292 UAPJDAVIAHKJHI-ZWKOTPCHSA-N 405.491 3.750 0 1 HHAF CCOC(=O)N1CC[C@H]2c3c(nc(-c4ccc(SC)cc4)[nH]c3=O)S[C@@H]2C1 28524614 VLTYSSPWANYJHI-ZIAGYGMSSA-N 403.529 3.579 0 1 HHAF CCOC(=O)[C@H](Nc1ccc(C(=N)NO)cc1)c1cc(OCC)cc(OCC)c1 28529347 IEHLXBYVNXIKGR-LJQANCHMSA-N 401.463 3.504 0 1 HHAF Cn1cccc1CNc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132121 GNJSDQWCVFRBLY-UHFFFAOYSA-N 410.421 3.517 0 1 HHAF CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 36477634 OIGYNSAUCNCHPH-XYOKQWHBSA-N 404.507 3.824 0 1 HHAF CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 82059433 JIPKFKKTDLZWLP-READRUSDSA-N 413.514 3.585 0 1 HHAF COc1ccc(Cn2cnc3cnc(Nc4ccc5c(c4)OCO5)cc32)cc1OC 82083006 YNQBKBRIUXOGRC-UHFFFAOYSA-N 404.426 3.969 0 1 HHAF CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 84691003 OIVCSYOTXIVUOJ-UHFFFAOYSA-N 409.515 3.844 0 1 HHAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO 95877836 QWYSCWGFSRJNCO-CVJWPJSTSA-N 413.521 3.692 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cc(F)ccc54)ccc31)[C@@H]1CC[C@H](C2)N1 96175170 NTHDPRNZKGYSQU-QAPCUYQASA-N 409.486 3.858 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cncc5ccccc45)ccc31)[C@H]1CC[C@H](C2)N1 100633025 YIZXRNQFEZFWPC-DNVCBOLYSA-N 403.507 3.909 0 1 HHAF COC(=O)CSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Cl)cc2s1 103206424 XFINMKOWPNMXCC-UHFFFAOYSA-N 413.908 3.651 0 1 HHAF O=C(c1ccccc1-c1cccnc1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116822544 ALBSLXVPHZRNMG-WOJBJXKFSA-N 421.504 3.900 0 1 HHAF CCNC(=O)Cc1ccc(OCc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146485084 IBACWTSDHCXKLS-UHFFFAOYSA-N 415.493 3.791 0 1 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CCN(c2ccccc2)C1=O 201100167 VOYLNDZQJZHFOB-WTSFKKHRSA-N 418.537 3.886 0 1 HHAF CCCCC1CCC(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CC1 586884609 QJQUERFVSWXKGT-UHFFFAOYSA-N 412.578 3.777 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2[nH]1 587077524 VQXXROBSLITNJH-MRXNPFEDSA-N 420.860 3.893 0 1 HHAF CN1CCN(c2ccc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3c2)CC1 587120389 HFKYGHCYMIKROM-UHFFFAOYSA-N 400.408 3.877 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)nc2[nH]1)C[C@H]1CCCO1 587196695 VMMLWQAFVTXGEW-LLVKDONJSA-N 411.300 3.637 0 1 HHAF COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587380497 VMFCRZGGHFIQIB-MRXNPFEDSA-N 411.845 3.909 0 1 HHAF CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432337 WHUVZSFLNWUCJL-CJAUYULYSA-N 418.493 3.698 0 1 HHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCNC(C)=O 587510890 HSQNDQJGMXIGSZ-JOCHJYFZSA-N 409.482 3.795 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522545 FNHROBDVYPLCKH-VWLOTQADSA-N 422.477 3.957 0 1 HHAF C[C@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576719 HWORZRDKQHLROJ-XUZZJYLKSA-N 403.434 3.819 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587727403 CHIYKORRDVBXKG-HOGDKLEQSA-N 422.225 3.866 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)o2)N1 587771655 WJZKTXGDMKMRHC-JEOXALJRSA-N 409.299 3.766 0 1 HHAF COC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587788942 AJRJNBFIYVYABI-NSPYISDASA-N 408.267 3.764 0 1 HHAF COc1cc2c(cc1OC)[C@@](c1ccccc1)(c1cccnc1C(=O)O)N(C)[C@H](C)C2 962576045 SPOBRWXYKZNYPZ-PUAOIOHZSA-N 418.493 3.965 0 1 HHAF COc1ccc2c(c1OC)[C@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@H](C)C2 962576986 VCOFRTYEVSODHB-CPJLOUKISA-N 422.525 3.819 0 1 HHAF COc1cc(F)cc(OC)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702919 SXQBYDBLUNPJGU-DYVFJYSZSA-N 417.330 3.689 0 1 HHAF COc1ccc(OC(C)=O)cc1[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962720081 YSXRXPMDCNIACH-FXAWDEMLSA-N 407.388 3.530 0 1 HHAF O=C(O)c1ccc(N2C[C@@H]3CN(C(=O)NCc4ccc(Cl)cc4Cl)C[C@H]32)cc1 1772580802 HXTLAORWBSDYFO-KBXCAEBGSA-N 420.296 3.722 0 1 HHAF O=C(c1ccc[nH]1)N1CCN(c2nccc(Oc3cc(Cl)cc(Cl)c3)n2)CC1 1857636631 FHCFQFNHQIPCPO-UHFFFAOYSA-N 418.284 3.866 0 1 HHAF COc1ccccc1/C=C(/C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 1857638877 PRPKKCPVTJUMJU-HEHNFIMWSA-N 418.472 3.514 0 1 HHAF Cc1ccc2nc(C[C@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302766 XXALLUMWOZTYSX-WBVHZDCISA-N 409.461 3.806 0 1 HHAF COc1ccccc1-c1cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccco2)n(C)n1 2356849733 PMGFMLMVTPVNQX-WAOWUJCRSA-N 406.530 3.656 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N 771764 HTEPOLTXBFEVSQ-RBBKRZOGSA-N 405.454 3.669 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)cc1 772180 HMXDUHDVWYITGD-FPOVZHCZSA-N 414.889 3.689 0 1 HHAF COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 2489226 CGPAWAIBJUDSHO-HXUWFJFHSA-N 402.535 3.800 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)c1 4049248 RRKXDUODJQLERK-LADGPHEKSA-N 421.541 3.779 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](C)CN(C)C 4206262 ZRLZOHUMELFOGC-MMACOIQUSA-N 415.921 3.507 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 13526243 PTPSBYOWELRFJR-YADHBBJMSA-N 407.558 3.517 0 1 HHAF CCCCOc1c(O)ccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3 13742489 NDMQGMHZJUILQN-NQHRYMMQSA-N 413.558 3.988 0 1 HHAF CCN(CC)c1ccncc1-c1c(Cl)ncn1-c1ccc(S(C)(=O)=O)cc1 27103440 ISAYKCYNWCTUIP-UHFFFAOYSA-N 404.923 3.837 0 1 HHAF C[C@H]1CN(CCN(C)C(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 27559135 ICALOHJSRJGEMV-UQBPGWFLSA-N 410.558 3.789 0 1 HHAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccccc3OC)CC1)OCC2 27893519 IIOVYNFOBGLBKQ-OAQYLSRUSA-N 412.530 3.539 0 1 HHAF CCC/C=C/COc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 27992826 SUDSSIJBZOKIID-VZSQWMKGSA-N 421.457 3.700 0 1 HHAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OCC)c(OCC)c2)C1 36380742 JCOPZSBXWIKDIH-UHFFFAOYSA-N 418.563 3.541 0 1 HHAF COc1cc(C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)[C@]3(C)I)ccc1O 40791257 KMCWFSRJAGUCQK-HYEYJGRESA-N 416.255 3.940 0 1 HHAF Sc1nnc(CO[C@@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)o1 40914077 NHXSGZKZCMXXIL-HNNXBMFYSA-N 414.878 3.623 0 1 HHAF CC(C)S(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66113005 DHBTXPTVUZYWIA-UHFFFAOYSA-N 401.454 3.598 0 1 HHAF c1cc(-c2nn(C3C[C@H]4COC[C@@H](C3)N4)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 71341070 YEEFQERYHQOGGF-WCRBZPEASA-N 424.508 3.598 0 1 HHAF COCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc(C)c2)n1 82216794 PTRCSJXIRHMFJC-UHFFFAOYSA-N 408.477 3.622 0 1 HHAF CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82222882 UXJUEWJUMKNYAS-UHFFFAOYSA-N 410.440 3.629 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccncc45)ccc31)[C@H]1CC[C@@H](C2)N1 96175287 BTMMENVDRRTWFL-HNAYVOBHSA-N 403.507 3.909 0 1 HHAF Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100101437 SZJHKEXYJBZEQH-FIDNPTQWSA-N 404.535 3.791 0 1 HHAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@@H](O)[C@]4(C)[C@@H]5C(=CC[C@H]4[C@]3(CO)CC[C@H]12)CO[C@H]5O 169719671 PKVICYZLWZIYRA-LNOPEACOSA-N 404.591 3.890 0 1 HHAF Fc1ccc([Si]2(c3ccccc3)CC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 170112484 GAOQEODVVZUJNQ-DDAUYOFQSA-N 416.616 3.983 0 1 HHAF CC[C@H]1Cn2c(nnc2-c2ccn[nH]2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219114825 NDRUMRHLBVUNJD-NSHDSACASA-N 424.814 3.775 0 1 HHAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ncc(Cl)cn4)cc3=O)cc21 223478315 PXAWPPAFKPIMFE-UHFFFAOYSA-N 407.861 3.624 0 1 HHAF O=C(c1ccccc1Br)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261103728 GZIRHUBRAHLBCA-KUHUBIRLSA-N 423.314 3.743 0 1 HHAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCO3)cc1 299836935 ITHOETOMDZFDFL-AWEZNQCLSA-N 412.389 3.689 0 1 HHAF Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CC[C@]4(CCNC4=O)C3)cc2)cn1 299869497 UTVAXXRKAZTNHW-JOCHJYFZSA-N 407.905 3.519 0 1 HHAF COC(=O)c1c(C)nc(=NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C 473115926 VTSRBFQQXZAOSX-CQSZACIVSA-N 423.517 3.551 0 1 HHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 586950492 XOTNMBJJEADBQD-UHFFFAOYSA-N 416.247 3.566 0 1 HHAF Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2n1 586954784 PBNJSKVNKVBXKP-UHFFFAOYSA-N 406.511 3.988 0 1 HHAF CCOC(=O)Cc1nc2cccc3c2c(c1CC(=O)OCC)-c1ccccc1C3=O 587105839 FOFVIUKRNOZGTK-UHFFFAOYSA-N 403.434 3.657 0 1 HHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587113557 PUAQROAFCPHEBI-GOSISDBHSA-N 409.339 3.819 0 1 HHAF COC(=O)c1cc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c2cn1 587143360 DIBJZIQKVNQOIV-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587156209 ZLUAORDTNRFRLZ-UHFFFAOYSA-N 415.016 3.987 0 1 HHAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587247792 UCBPUCVWQRWNDV-UHFFFAOYSA-N 420.494 3.733 0 1 HHAF CC(=O)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587334967 GGJUACLNFZRPHR-URXFXBBRSA-N 417.392 3.679 0 1 HHAF COC(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347146 OJRVKSLUGTYQBI-JTHBVZDNSA-N 407.397 3.744 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(Br)cc1OC)[C@@H](C2)C3=O 587414947 ZECXXYADWCJPSB-HXPMCKFVSA-N 405.244 3.964 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)O)c(OC)c1)CC2=O 587485487 WULPRGILAFCZBM-QFIPXVFZSA-N 400.427 3.697 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccn1)c1ccccn1 587585606 FDEOIWBRIKZVDW-OFVILXPXSA-N 424.412 3.922 0 1 HHAF C/C(=C\[C@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587744163 ZCLQIQOWRUKDJA-FVHSBGKRSA-N 405.315 3.621 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(-c3ccc4c(c3)OCO4)no2)N1)C(F)(F)F 962765754 NEQJFPSCXPDFSY-KXBFYZLASA-N 416.355 3.805 0 1 HHAF CC(C)(C)OC(=O)N1CCC(Cl)=C([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)C1 962922069 OQDRKDXGQXXHOY-RDJZCZTQSA-N 410.873 3.599 0 1 HHAF COc1cccc2c1OCCC[C@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973168 VHKYIPZZFDCTEC-VLIAUNLRSA-N 409.816 3.642 0 1 HHAF FC(F)(F)[C@@H]1CN(Cc2ccccc2)CC[C@@]12NCCc1nc3ccccn3c12 962991397 VJIVGGSXHNTSQK-WIYYLYMNSA-N 400.448 3.760 0 1 HHAF CCOC(=O)CC[C@]1(c2ccccc2Cl)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526154 NOXBDXSQVDKCRE-PGRDOPGGSA-N 417.889 3.540 0 1 HHAF COc1cc2nc(N(C)C3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC 1772598791 CZXPVZMKOLPPPQ-UHFFFAOYSA-N 413.566 3.922 0 1 HHAF Cc1cc(=O)oc2cc(OC[C@H](O)CN=c3[nH]c4ccc(Cl)cc4s3)ccc12 1857656762 IMSXGMRGNNJPLH-CYBMUJFWSA-N 416.886 3.638 0 1 HHAF CC[C@H](Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)n1)C(=O)O 1857761998 PVKYTTHZBVOPMK-LLVKDONJSA-N 421.375 3.676 0 1 HHAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC12CC2 1857766507 ZTRZZGYGAQSCON-INIZCTEOSA-N 415.419 3.718 0 1 HHAF COc1ccc([C@@H]2C[C@H](c3cc(O)c(OC)c(OC)c3)[C@@H](OC)CO2)cc1OC 2356665030 RBYCDKILRBFDGS-YWMUFLPLSA-N 404.459 3.687 0 1 HHAF Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)N(C)C1CCCCC1)S2 3273051 XECJIESDJYAMQM-SJORKVTESA-N 405.955 3.790 0 3 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 4205390 RPRJIHGYZYNICB-CUWPLCDZSA-N 416.905 3.718 0 1 HHAF CCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 6782516 YBRSMGCMKVMWHR-UHFFFAOYSA-N 407.562 3.552 0 1 HHAF FC(F)(F)c1cccc(N2CCN(c3ncnc4c3nc3n4CCCC3)CC2)c1 8591350 WOEXUAKYEVDSCG-UHFFFAOYSA-N 402.424 3.508 0 1 HHAF CCOC(=O)CN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 66136620 FFPFPZSCNMVKJQ-SIFORAMQSA-N 420.303 3.699 0 1 HHAF NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12 114343564 RKQAHDJYVWGPCS-UHFFFAOYSA-N 415.428 3.732 0 1 HHAF O=C(CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1)C[C@@H](O)CCCO 2356445581 GGHLNYHLROWDOY-NRFANRHFSA-N 424.493 3.855 0 1 HHAF O[C](N=c1nc2n(Cc3ccccc3)c3ccccc3n2s1)NCc1ccccc1 2356816791 FLGXXPAZKSPOKH-UHFFFAOYSA-N 414.514 3.909 0 1 HHAF Cc1c(C(=O)N(C)C)s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n1CC1CC1 28954353 OEVHQALCNZSKAN-NKFKGCMQSA-N 411.449 3.730 0 1 HHAF CC(=CCC[C@H](C)C1=C[C@@H]2O[C@]3(C)C[C@@]4(O)[C@H]5C(CO)=CC[C@@]14[C@@]2(C)C[C@H]53)CO 2356837166 LHLGFPJZAWXXIN-QFNVBWAMSA-N 400.559 3.525 0 1 HHAF CCCCCC(=O)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 61923872 JARYLLDZOHMNFI-FSSWDIPSSA-N 412.534 3.620 0 3 HHAF CCc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 38153799 MBILNSDEFLLJNS-UHFFFAOYSA-N 420.464 3.903 0 1 HHAF O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCCO2 71340624 IHLYQXYXUNPCPO-HSZRJFAPSA-N 407.853 3.894 0 1 HHAF CCCCS(=O)(=O)N1[C@@H]2CC[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)[C@H]1CC2 45283759 DVRXEBSQTHPYMD-MISYRCLQSA-N 408.564 3.785 0 1 HHAF CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2cnccc2-c2nnn[nH]2)cc1 40690652 SIIWYFXYRNHSIB-UHFFFAOYSA-N 410.485 3.983 0 1 HHAF COc1ccc2c([S@](=O)Cc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1 139678330 QYCYUTUBUKMNQA-PMERELPUSA-N 415.478 3.656 0 1 HHAF Cn1cc(-c2cc3c(-c4cc(N5CCCC(F)(F)C5)ncn4)n[nH]c3cc2F)cn1 225562119 ONARMKINGWLWFP-UHFFFAOYSA-N 413.407 3.795 0 1 HHAF O=C(c1ccc(Cl)cn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168913 BIADMYAESFYYSG-UHFFFAOYSA-N 401.894 3.708 0 1 HHAF COc1cc(CCc2cc(Nc3ncnc4cc(OC)ccc34)n[nH]2)cc(OC)c1 653850843 VUKMLDWTZNHMBN-UHFFFAOYSA-N 405.458 3.908 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1O 587589850 AWRQEQAQKJQWHD-NZQKXSOJSA-N 408.406 3.992 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)C3CCOCC3)c(=O)c3ccccc23)c(O)c1 587664671 GQTCBIMOYFORHB-UHFFFAOYSA-N 421.497 3.682 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(CSc1nnnn1-c1ccccc1)CC2=O 587491722 MZYFQVSTRTXVIR-OAQYLSRUSA-N 410.499 3.837 0 1 HHAF COc1cccc(I)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587386725 LWDIZNDCWDZHDJ-HNNXBMFYSA-N 409.223 3.897 0 1 HHAF O=C1CC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587352050 LPLWDFRVBBHFCU-LADGPHEKSA-N 402.377 3.941 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cnc3[nH]2)CCC(=O)CC1 587235780 SRZUBMZPFALRCR-UHFFFAOYSA-N 409.284 3.584 0 1 HHAF COC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587591594 DBFLRHMGEGSWGG-NZQKXSOJSA-N 406.390 3.647 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C[C@H]1CCCO1 587197146 KFKPCOVOWRFLRL-LLVKDONJSA-N 400.401 3.893 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4CCC(=O)[C@@H]4C)[nH]c3c2)cc1 587963621 PJTZKYYZIDPJEO-KGLIPLIRSA-N 413.499 3.530 0 1 HHAF Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)c1 586967081 WAUJANCRGPTUOK-UHFFFAOYSA-N 414.512 3.904 0 1 HHAF COC(=O)c1ccc([C@]2(C(F)(F)F)NCCc3cnc4c(OC)cccc4c32)cc1 963057149 LSYYQEXFHNFWQQ-NRFANRHFSA-N 416.399 3.982 0 1 HHAF Cc1cc2c[nH]nc2c2c1NC(=O)[C@@]21c2cc(Br)cc3c2C(C)(C)CN31 963073596 WABDOJQCEZQDML-HXUWFJFHSA-N 409.287 3.941 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(c1sccc1N)N(C(=O)c1ccccc1N)CC2 963142659 QXCHLWLHDCRWMN-HSZRJFAPSA-N 423.538 3.892 0 1 HHAF COc1ccccc1[C@H]1NC(=O)NC2=C1[C@@]1(CCC2)NCCc2ccc(F)c(C)c21 962381575 YOTHVHXFFIENPP-VWNXMTODSA-N 407.489 3.976 0 1 HHAF COC(=O)[C@@H]1[C@H]([C@H]2c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)C1(F)F 963300659 GQSDISMFLLJGCU-HSALFYBXSA-N 405.416 3.988 0 1 HHAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccc(F)cn3)c2)c1 1772629508 VZAROJABRMTEJU-UHFFFAOYSA-N 407.405 3.712 0 1 HHAF COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3c(C)cc(C)cc3C)cc2c1 1857610181 SCWMFPYUSQPAAQ-UHFFFAOYSA-N 413.495 3.658 0 1 HHAF Cc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1-c1nc(O)c2sccc2n1 1857613967 XIGROOYOCQXDNJ-UHFFFAOYSA-N 419.510 3.911 0 1 HHAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC(C)(C)O2 5070802 ATOFNQUDVDAMHB-NQIIRXRSSA-N 412.530 3.588 0 1 HHAF O=C1C[C@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 13382663 BRPIOKDBXKCDNY-AEFFLSMTSA-N 418.401 3.951 0 1 HHAF biogenic O=C(NCCc1ccccc1)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 15967911 USIRVCHFZPYCGY-NOZRDPDXSA-N 421.500 3.997 0 1 HHAF biogenic CCOP(=O)(OCC)[C@@H](c1ccc(O)cc1)N1CCN(c2ccccn2)CC1 26823323 FMSVXQUEFYJZCB-FQEVSTJZSA-N 405.435 3.874 0 1 HHAF O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1Cc1c([nH]c3ccccc13)[C@@H]2c1ccccc1 26951656 VIISWPYIGCMBNW-LSQMVHIFSA-N 421.500 3.752 0 1 HHAF N[C@H]1C[C@@H](N2CCn3c(C(F)(F)F)cnc3C2)CC[C@H]1c1cc(F)c(F)cc1F 28821162 UDBVPPQTFNUKHK-MMPTUQATSA-N 418.385 3.798 0 1 HHAF NC(=O)c1cncc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 28954757 RNKGSWWPDQQSGF-UHFFFAOYSA-N 405.498 3.666 0 1 HHAF Cc1cc(C)nc(NC(=S)NC(=O)[C@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 40864239 NQAVCWZRMPCFGK-ALTINICFSA-N 406.861 3.864 0 1 HHAF O=C(NCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccccc1F 95598077 MIMOQQUBNSTUOU-UHFFFAOYSA-N 414.412 3.634 0 1 HHAF COc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175372 MYAKLRIXBOSQBL-MAUKXSAKSA-N 421.522 3.728 0 1 HHAF C[C@H](Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(N)=O)c2)c1 141444230 YMLBNGULJZAHOS-CQSZACIVSA-N 405.473 3.900 0 1 HHAF COC(=O)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142433237 MWBVINUYAQUKCO-QFYYESIMSA-N 400.233 3.930 0 1 HHAF Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3cn[nH]c(=O)c23)c2cccnc12 147030793 VODQEQCIUFDKHJ-FUHWJXTLSA-N 415.501 3.600 0 1 HHAF CC[C@H](NC(=O)[C@@H]1CCCNC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220727481 RKCSTCUGWZPGBQ-PBHICJAKSA-N 403.885 3.672 0 1 HHAF CCc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C 253676547 GPMRETZXKYSKTH-IYBDPMFKSA-N 403.477 3.536 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299876967 GMWPUZKNIGFKEC-ROZLJVEFSA-N 416.543 3.762 0 1 HHAF Cc1nc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1Br 586966328 BFIFEWLOPSLLNN-UHFFFAOYSA-N 403.265 3.766 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4nc(Cl)ncc4[nH]3)cc2cc1Br 586999004 RRBDTOAQHUVTCH-UHFFFAOYSA-N 421.638 3.941 0 1 HHAF FC1(F)Oc2cc3nc(-c4cncc(I)c4)[nH]c3cc2O1 587185465 UTRLFIKOJNOSLG-UHFFFAOYSA-N 401.110 3.551 0 1 HHAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587234729 IIIWXPBALLUGJD-QWHCGFSZSA-N 400.276 3.754 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 587767881 KBQAWBQTIKIKLT-ABKXIKBNSA-N 411.271 3.633 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)NC(=O)CO3)N1 587796605 QGJQNMDZCFLKLG-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF COc1ccc([C@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963137747 GFGOJOQGXYEYOQ-MGPUTAFESA-N 404.488 3.662 0 1 HHAF COc1ccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@]23NCCc2ccc(O)cc23)cc1 963329800 UQHSTPDWXOIXCL-DQEYMECFSA-N 417.461 3.767 0 1 HHAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4nc(C5CC5)cs4)nc3n2)C1)N1CCCC1 1772644563 KXBPRIFYVYKDNI-OAHLLOKOSA-N 422.558 3.798 0 1 HHAF COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cccc(C(=N)N)c1 1857584554 DNQMIYXBYHTHMW-UHFFFAOYSA-N 411.483 3.881 0 1 HHAF Clc1ccc(COc2cncc(-c3cnc(N4CCNCC4)nc3)c2)c(Cl)c1 1857772922 MRKXTXOKALPSHJ-UHFFFAOYSA-N 416.312 3.834 0 1 HHAF C[C@]1(O)CCN(C(=O)C2CCCCC2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356288685 JFBUMSFYTRLBND-SLSDLSHTSA-N 412.574 3.966 0 1 HHAF C[C@@H]1O[C@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)C[C@@H](O)[C@H]1O 2356327928 LLBLZMZQJRHFLN-FZQAXKAFSA-N 408.450 3.667 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356388392 CVMYPIVCFZBKQQ-PWRODBHTSA-N 400.567 3.650 0 1 HHAF CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 4759980 MWLHLHGTQWVLGE-YXKWSERDSA-N 402.516 3.591 0 3 HHAF COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccccc32)cc1 1616295 GCTODLXJJIVTIV-ZJSXRUAMSA-N 403.434 3.510 0 1 HHAF C[C@@H]([C@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 3955303 RLXIZUWKIWYBAY-AOMKIAJQSA-N 400.482 3.880 0 1 HHAF CC(C)Nc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccsc12 4316478 FAXYXMRLKHMBGM-UHFFFAOYSA-N 407.908 3.646 0 1 HHAF CC1(C)CCC[C@@]2(CO)[C@H]3CC[C@@]4(C)C5=C(C(=O)O[C@H]5O)[C@@H](O)C[C@H]4[C@@]3(C)CC[C@H]12 2356399435 VLUSLHNYJYPIJY-OTKWUCPWSA-N 418.574 3.560 0 1 HHAF CCS(=O)(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 100636735 BNHISVWWWONUAP-KDURUIRLSA-N 419.591 3.581 0 1 HHAF COC(=O)Sc1nc2cc(-n3nc(C)n(C(F)F)c3=O)c(Cl)cc2s1 103196868 LRKBBXIEMHQPDV-UHFFFAOYSA-N 406.823 3.859 0 1 HHAF C[C@@H]1O[C@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)C[C@H](O)[C@H]1O 2356327929 LLBLZMZQJRHFLN-SHXMKPCDSA-N 408.450 3.667 0 1 HHAF N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 28826128 VMMCWSWGEOMEAN-UHFFFAOYSA-N 413.525 3.766 0 1 HHAF CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3C)n2C)n(CCC)c1=O 26398585 AUBIFWCPXCGRBT-ZRDIBKRKSA-N 410.518 3.513 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3Cl)c2n1 116186243 LJHLHUOJEIXADF-MRXNPFEDSA-N 423.864 3.816 0 1 HHAF CCOC(=O)N1CCC(c2ccccc2C)(S(=O)(=O)c2ccc(OC)cc2)CC1 28355090 IDPRRKIFQPJKDZ-UHFFFAOYSA-N 417.527 3.925 0 1 HHAF C[C@]1(Cc2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 61904770 YAPHQENZURKEDC-JOCHJYFZSA-N 416.518 3.889 0 3 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CCO)c4ccccc4)ncc23)ccn1 219764033 XOYWSUGZHKBODO-SFHVURJKSA-N 402.458 3.574 0 1 HHAF COC(=O)c1c(O)c2nc(Cc3ccc(F)cc3)sc2n(-c2ccccc2)c1=O 35010309 FFYAQGVUPMJPHE-UHFFFAOYSA-N 410.426 3.669 0 1 HHAF O=C1OCC2=C1[C@@H](c1cncc(-c3ccc(F)cc3)c1)c1cc3c(cc1N2)OCO3 40408566 PINNSKJGVFYRNL-NRFANRHFSA-N 402.381 3.985 0 1 HHAF Cc1nocc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 45256470 OOCTUXULUGTOAW-INIZCTEOSA-N 406.364 3.875 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 82196624 FWQGDYVCKLORLK-KLKNJWSISA-N 424.516 3.637 0 1 HHAF COc1cc(Nc2nc(N[C@@H]3CCCC[C@H]3C)n3ccnc3c2C(N)=O)cc(OC)c1 40404826 FOGAMHNVNPPKSU-CXAGYDPISA-N 424.505 3.580 0 1 HHAF C[C@@H]1[C@H](c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1(=O)=O 43009739 ITYMMRKSCDTSQX-VGOFRKELSA-N 401.528 3.847 0 1 HHAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc([C@@]4(O)CCOC4)ccc3Cl)nnc12 145746190 RIOWALIOYFJZSC-JOCHJYFZSA-N 421.888 3.787 0 1 HHAF Nc1cc(OCCN2CCOCC2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 95572940 QHVAIZDCGNCZHR-UHFFFAOYSA-N 415.497 3.585 0 1 HHAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3nc(C)sc32)cc1 95921168 YQFNSFOVYAQJAF-HSZRJFAPSA-N 413.506 3.928 0 1 HHAF in-vitro O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(O)cc1 653895418 GOQRZHISBWRDQE-WREZULKGSA-N 423.601 3.797 0 1 HHAF COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1C=O 587591164 GBMRRFSYZZPTFL-XXBNENTESA-N 422.389 3.630 0 1 HHAF Cc1nn(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1Br 586979332 WXJHGTNHEVQJCF-UHFFFAOYSA-N 419.508 3.998 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(S(N)(=O)=O)c1 587860446 WWMPJJVENPCESO-UHFFFAOYSA-N 412.298 3.892 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 587799830 ZATRUEAZBRANIM-OACQNMCBSA-N 403.295 3.969 0 1 HHAF COc1cccc(CONC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587868801 TVRNDAYSSGNASG-UHFFFAOYSA-N 422.363 3.671 0 1 HHAF Nc1nc(O)c2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2n1 587082530 RABDECWBBSGDNN-UHFFFAOYSA-N 404.817 3.882 0 1 HHAF Cc1c([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C 587336852 AXXCHRCDWAFLRB-WAMGAZATSA-N 421.472 3.903 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cnc3ccccc3c2=O)N1 587775140 QXUUZWGJHRAACY-FKIZINRSSA-N 416.294 3.748 0 1 HHAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)O)c1 587789837 DAUABEYYURHCLB-APBUJDDRSA-N 424.266 3.684 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(C(=O)OC)c(C(F)(F)F)n1 587870913 LHWMIMKJTYYEFA-UHFFFAOYSA-N 410.327 3.673 0 1 HHAF C[C@]1(CC(=O)c2cc(F)ccc2O)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962966494 MLBHEMMRXLOZSI-BFUOFWGJSA-N 413.779 3.550 0 1 HHAF COc1cccc(N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)O)n1 13439313 GMTNKNNQZUELGN-KRWDZBQOSA-N 408.454 3.882 0 1 HHAF Cc1cccn2c(CN(C)[C@H]3CCCc4ccccc43)c(C(=O)N3CCOCC3)nc12 13596216 LTIGODGNRWBXHN-NRFANRHFSA-N 418.541 3.625 0 3 HHAF O=c1n(CCCCCCCCNC[C@@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725388 ZEFKDHHHXIOEJQ-FQEVSTJZSA-N 413.562 3.626 0 1 HHAF CN(C)Cc1ccc(CCN2CCn3cc(Cc4ccc(F)cc4)cc3C2=O)cc1 1857613145 HFBPXBNVSNGVGE-UHFFFAOYSA-N 405.517 3.978 0 1 HHAF Cc1cccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)c1 149348334 IUSJGJBHKZUGCZ-IBGZPJMESA-N 408.523 3.930 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC 4153860 GMWPUZKNIGFKEC-DYZHCLJRSA-N 416.543 3.762 0 1 HHAF O=C(c1cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)ccc1Cl)N1CCCCCC1 4659992 CPJTVRLSYHNWIF-SLDRDFCHSA-N 400.906 3.892 0 1 HHAF O=C(COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc(F)cc1 101216024 LQCKGNBDIKFRTN-XPRTXTSQSA-N 417.436 3.645 0 1 HHAF CCN(CC)CCOc1ccc2nc3c(cc2c1)Cn1c-3nc2ccccc2c1=O 28874415 HYLSGMABRPWCOT-UHFFFAOYSA-N 400.482 3.694 0 1 HHAF COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 61922997 DHRQNBNEDDZWRJ-DNVJHFABSA-N 424.545 3.620 0 3 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@H]1[C@@]1(CCC=CCCCCN[C@@H]21)C3 2356466526 JTIJGTARYKLTGJ-POTDNYQPSA-N 414.634 3.957 0 1 HHAF COC(=O)CCC1=CN2C[C@@H]3COC=C(C(=O)OC)[C@H]3C[C@H]2c2[nH]c3ccccc3c21 2356806365 AGFNFYSXFSTALX-SYNHAJSKSA-N 422.481 3.542 0 1 HHAF COC(=O)[C@H](Cc1cn(CC=C(C)C)c2ccccc12)N1C(=O)c2ccccc2C1=O 64454137 NSUDZFOECPQABG-QFIPXVFZSA-N 416.477 3.988 0 1 HHAF C=CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)N2C1=S 16028395 UDVMTDCIAPQHNE-TZIWHRDSSA-N 403.507 3.806 0 1 HHAF biogenic COc1cccc(-c2nc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)c1 84670651 JSCXTJIPDDOUCB-UHFFFAOYSA-N 400.456 3.658 0 1 HHAF C[C@@H](CN(C)c1nc2ccccc2o1)Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1 40712416 BWMOTGSJGDXHLN-SCLBCKFNSA-N 411.483 3.626 0 1 HHAF CCCCCC(=O)N1CC[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)[C@H](CC)C1 25427658 XXMMMGABMLFVNE-MOPGFXCFSA-N 402.535 3.877 0 1 HHAF biogenic COc1ccc(-c2c(CO)c(CO)c3n2Cc2c(c4ccccc4n2C)C3)cc1OC 95591835 WJJJVVPXOIWXAY-UHFFFAOYSA-N 418.493 3.601 0 1 HHAF O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3c2nc(Cl)cc3=O)[C@@H]1c1ccc(F)cc1 587326035 ABZFMYORRAQSOG-KNQAVFIVSA-N 424.815 3.870 0 1 HHAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587064987 JDWPKOUTZZQXDM-UHFFFAOYSA-N 400.797 3.941 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CC(=O)OC(C)C)c1C)CC2=O 587476880 RVVDOKXGDPXNTO-IBGZPJMESA-N 400.475 3.816 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Br)ccnc3[nH]2)C(F)(F)C1 587131751 CBHFTIJLTGVXPE-MRVPVSSYSA-N 403.227 3.690 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cncc(I)c3)nc2c1 587185303 RNZFIIFPEUJWTI-UHFFFAOYSA-N 413.602 3.670 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccccc32)N1 587847848 YVWJWJJREXSHNF-ADLMAVQZSA-N 410.308 3.543 0 1 HHAF CCCn1cnc2cc(-c3nc4cc(C(=O)OC)ncc4[nH]3)cc(Br)c21 587004683 YIZMDRAWBKGLCV-UHFFFAOYSA-N 414.263 3.934 0 1 HHAF CC(C)OC(=O)C1(c2nc3c(Cl)c(Br)cnc3[nH]2)CC(F)(F)C1 587130039 COFWWHNLESLHDZ-UHFFFAOYSA-N 408.630 3.992 0 1 HHAF CCOC(=O)CCOCCCOCCc1nc2cc(C)cc(Br)c2[nH]1 587566509 QEQZVMYYMVCLGE-UHFFFAOYSA-N 413.312 3.553 0 1 HHAF O=c1cccc(-c2nc3nc(Cl)c[nH]c-3n2)n1CCOc1ccccc1Cl 587064310 PMORRIYKLIRBCH-UHFFFAOYSA-N 402.241 3.519 0 1 HHAF COC(=O)Cn1cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2ccccc21 962732139 XFGWATIFKNQWQE-XLIONFOSSA-N 416.399 3.549 0 1 HHAF COc1ccc2c(c1OC)[C@@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@H](C)C2 962576993 VCOFRTYEVSODHB-PUAOIOHZSA-N 422.525 3.819 0 1 HHAF COC(=O)c1cccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1Br 963613208 UOLAYTXZGUBHHT-JEOXALJRSA-N 420.303 3.877 0 1 HHAF CC1(Cn2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)CC1 13487673 YOZCXTOUYGNYMT-UHFFFAOYSA-N 412.486 3.920 0 1 HHAF CCc1nc2ccc(F)cn2c1C(=O)NCCOc1ccc(Br)cc1 1857544076 AZKJFSQQPHJSPV-UHFFFAOYSA-N 406.255 3.607 0 1 HHAF Fc1ccc([Si@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 1857622002 GAOQEODVVZUJNQ-QABMSTFYSA-N 416.616 3.983 0 1 HHAF Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOCC4)c2)C(=O)C3(C)C)cn1 1857639123 UNVGTXOAVBOYGO-UHFFFAOYSA-N 415.497 3.640 0 1 HHAF COCCCN1CCC(CNC(=O)c2cccc3c(Cl)c(C(C)C)nn23)CC1 1857640078 RDZZCVLXIKBNCG-UHFFFAOYSA-N 406.958 3.589 0 1 HHAF COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C1(C)CC1)C2 1857649393 MFZJHPVOBFJYHO-NRFANRHFSA-N 413.470 3.535 0 1 HHAF CCOc1ccccc1-c1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)n1CC 4195730 CWPYVDQQUPMLSF-ZMSDIMECSA-N 400.548 3.761 0 1 HHAF CCCCc1nnc(S)n1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 103200826 DXDDCYBPJRZRBG-UHFFFAOYSA-N 410.499 3.908 0 1 HHAF O=S1(=O)CCC2=C1[C@@H](c1ccc(F)c(Br)c1)C=C(C(F)(F)F)N2 100037657 SPZKPRNKTQYECV-MRVPVSSYSA-N 412.202 3.751 0 1 HHAF CC(=O)N[C@@H]1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 29038725 IKINOGQZTQWAIL-JOCHJYFZSA-N 420.582 3.784 0 1 HHAF CCOC(=O)c1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(OC)cc2)cc1 29340694 HLMWGRWOEPJLJP-HSZRJFAPSA-N 424.497 3.871 0 1 HHAF COc1ccccc1N1CCN(CCN(C)[C@H]2CCCc3c(OC)cccc32)CC1 22938379 HLQOTKYQYOTGSD-QFIPXVFZSA-N 409.574 3.835 0 1 HHAF CSCC[C@@H](NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)O 8488389 VIVDMJWWDJICGS-QGZVFWFLSA-N 412.467 3.788 0 1 HHAF biogenic CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 218913911 DOEVSBYTUDFXBA-CYBMUJFWSA-N 420.498 3.836 0 1 HHAF COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 72136320 AFXKNDHWOJNFSQ-BDTNDASRSA-N 410.543 3.775 0 1 HHAF CCOc1cccc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 220718859 SRCMYQVGJCIJMT-XMMPIXPASA-N 406.482 3.624 0 1 HHAF CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C)cc1 95559489 XRNNLWRNKTXVIA-UHFFFAOYSA-N 403.486 3.991 0 1 HHAF C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)cc2)CCN1 95598487 LJILBBSOWPHEIX-SFHVURJKSA-N 418.516 3.958 0 1 HHAF O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCc2cccc(Cl)c2C1 299858754 TWWFYTLGTWSLMC-OAQYLSRUSA-N 412.917 3.685 0 1 HHAF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cnn(C)c1 587628611 XRGPJHYLTLKUME-UHFFFAOYSA-N 419.281 3.957 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 587399706 JKGZLLOKJAZPJS-QHCPKHFHSA-N 408.454 3.532 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCN(C)C2=O)N1 587767057 IIDJIOQETOFUDD-FQWGINHLSA-N 417.322 3.844 0 1 HHAF O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cs1)c1cccc(O)c1 587019931 SSQSATRUJGACEN-UHFFFAOYSA-N 419.388 3.982 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757131 NBCRGANIZBSSSR-XTGWTQTCSA-N 421.358 3.792 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(=N)N)cc3[nH]2)c1 587050568 YCWHZOUWSUUDMV-HJWRWDBZSA-N 424.892 3.891 0 1 HHAF CC(=O)Oc1cccc([C@@]2(c3ccco3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963022336 IQEQQFKNCIZIMO-VOIUYBSRSA-N 402.450 3.550 0 1 HHAF COc1ccc2c(n1)CC[C@@]21N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182800 RWDHMFKUHVDZHF-CRAIPNDOSA-N 412.795 3.551 0 1 HHAF CCCCC[C@]1(CC[C@H]2C(=O)C[C@H](O)[C@@H]2CCC(=O)O)NCCc2ccc(O)cc21 963344107 YOXUUGUDNWYGKT-PDSFRDGWSA-N 417.546 3.525 0 1 HHAF COc1cccc([C@]2(C[C@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1 962575245 VWAWTQQMOMGKJH-CCHLGUQTSA-N 413.514 3.943 0 1 HHAF Cc1ncc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCCC(F)(F)C2)cn1 1772576468 ZYZLNCIMNDKMLA-INIZCTEOSA-N 412.843 3.780 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC[C@@H]2CCOC2)cc1F 1772655088 FNDAXQFHRLFJSB-LLVKDONJSA-N 419.931 3.965 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CC[C@@H](O)CC2)cc1F 1772652795 RVDMLRAYMNKJCP-PHIMTYICSA-N 419.931 3.699 0 1 HHAF CNC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1 13559345 FSJLPZWUQPVFLZ-UHFFFAOYSA-N 423.488 3.693 0 1 HHAF COc1ccccc1N1CCN(CCN(C(=O)c2ccccc2)c2ccccn2)CC1 13739994 UYVMBEGYAPYWLO-UHFFFAOYSA-N 416.525 3.559 0 1 HHAF C[C@H](c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(S(C)(=O)=O)C2 204907904 ZGVULUIJOKITAC-CQSZACIVSA-N 417.481 3.755 0 1 HHAF CC[C@@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 4759969 MWLHLHGTQWVLGE-QQGDVQBRSA-N 402.516 3.591 0 1 HHAF O=C(CCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21)NCC(F)(F)F 29221777 NGJHEJYDXHHCHV-INIZCTEOSA-N 407.436 3.823 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC/C=C/I)[C@@H](c1ccccc1)C2 26840597 PTARSFHGDDMYOJ-KZTBUPNPSA-N 411.283 3.745 0 1 HHAF Cc1cc(-c2ccc(NS(C)(=O)=O)cc2)n(-c2ccc(Br)cc2)n1 29405530 FJXCJWRRLVTBSO-UHFFFAOYSA-N 406.305 3.982 0 1 HHAF COc1ccc(S(=O)(=O)N(Cc2ccccn2)[C@H]2CCc3ccccc32)cc1OC 26580143 RAYMWFMDNOTBKU-NRFANRHFSA-N 424.522 3.977 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCCOc5ccccc54)ncc23)no1 219769499 XIBKCSONKHBWHR-OAHLLOKOSA-N 404.430 3.957 0 1 HHAF CC[C@@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144008 UIYLKZDHZSFJDP-CQSZACIVSA-N 414.506 3.616 0 1 HHAF COc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)C[C@@H](O)c1cc(OC)c(OC)cc1-2 84604648 HTEYDMOVAVRCBZ-HZPDHXFCSA-N 411.376 3.536 0 1 HHAF O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)NC(=O)c1ccccc1N2 143755021 DEZBPNRRBAPOQD-HNNXBMFYSA-N 401.422 3.566 0 1 HHAF CC(C)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@H](O)C(C)(C)C)cc1 95920962 NSXHQTLHHLJUGK-UGKGYDQZSA-N 402.531 3.530 0 1 HHAF in-vitro CCCOCCOC(=O)C1=C(C)NC=C([N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 95577144 LVVGAURCDWMWKV-KRWDZBQOSA-N 414.380 3.754 0 1 HHAF COc1ccc(C(=O)OCC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 473095751 XQCXAZWUIIYUSL-UHFFFAOYSA-N 413.470 3.502 0 1 HHAF COc1cc(N2CCN(C)CC2)ccc1Nc1cc(-c2c[nH]c3cnccc23)ncn1 299858810 GZCPTOJBBPEFMY-UHFFFAOYSA-N 415.501 3.524 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 299887947 ZQRSSZKSSSIKFV-TYXHBMPASA-N 413.470 3.799 0 1 HHAF COc1cccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 299830911 YTTFWNQKODXQJC-XMMPIXPASA-N 420.415 3.786 0 1 HHAF O=C(O)c1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040558 HZMCIEPWSJZIDL-CABCVRRESA-N 418.316 3.970 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)O2 587408826 IYKDCVDTLQRJSA-HSZRJFAPSA-N 407.491 3.890 0 1 HHAF Cc1cnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 586954731 OAISRNKPWCXDGC-UHFFFAOYSA-N 406.511 3.988 0 1 HHAF COC(=O)c1cc2[nH]c(CCSCC(=O)Nc3ccc(C)cc3)nc2cc1OC 586971514 YKBIDGNZKIQGQD-UHFFFAOYSA-N 413.499 3.581 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587708887 FRVKNAAWCCHPTL-VXJOIVPMSA-N 404.205 3.736 0 1 HHAF NC(=O)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587113813 LYTCWEPBMAOWKR-UHFFFAOYSA-N 408.405 3.553 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccccc1Cl)CC2=O 587462917 SNBLSBOHHKSYJO-QFIPXVFZSA-N 416.857 3.991 0 1 HHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587784845 KAYSJUVGNVNLCJ-KBPBESRZSA-N 424.400 3.800 0 1 HHAF COc1cc2c3c(c1)O[C@@](COc1ccccc1)(CP(=O)(OC)OC)[C@@H](C2)C3=O 587447944 GNZMHNRQJLXKLL-UWJYYQICSA-N 418.382 3.746 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 587091313 DAFYYSDLXZCNHF-FQEVSTJZSA-N 421.419 3.832 0 1 HHAF COc1cc2c3c(c1)O[C@](c1cccc(N)c1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587427577 DWGAGZQQDQMEHU-UQBPGWFLSA-N 417.461 3.986 0 1 HHAF C[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590804 AUIGINFSSDAMMO-NZQKXSOJSA-N 406.390 3.733 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Br)ccnc2[nH]1 586973627 PTBZRLFEZXFTKE-CQSZACIVSA-N 405.321 3.831 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C(CCCC(=O)O)(CCCC(=O)O)N1 587829590 RGMPCOUZQWCDSJ-LLVKDONJSA-N 416.287 3.828 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587201702 BKYQMEAVSGWSIG-SECBINFHSA-N 411.311 3.562 0 1 HHAF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)[C@H](C)N(Cc2ccccc2)C[C@@H](C)[C@H]1C 963469872 LDFDCABRQWUMNP-JZTRXLTGSA-N 408.542 3.671 0 1 HHAF C=CC(=O)Nc1ccccc1[C@H]1CCNc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21 1772585665 IMCJMNVMHGKSFH-QGZVFWFLSA-N 421.888 3.832 0 1 HHAF O=C(N[C@@H]1CCC[C@@H]1Cc1ccc(C(F)(F)F)cn1)c1ccccc1-n1nccn1 1772593814 IKUCTWUQIFHMNW-RDTXWAMCSA-N 415.419 3.822 0 1 HHAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCO)[nH]c(=O)c12 13585144 OPYIVZKNDBOCFQ-UHFFFAOYSA-N 419.721 3.716 0 1 HHAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@H](C)[C@@H](C)C3)OCO2 14692454 HOPDFAWBFXSPSA-CSJMPQKXSA-N 400.427 3.690 0 1 HHAF biogenic,in-vitro C[C@H]1CN(CCC(=O)N2CCC(N3CCCCC3)CC2)Cc2cc(Cl)ccc2O1 14986795 ZSVOTQXMJYAZHN-SFHVURJKSA-N 419.997 3.790 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F 206980298 BPBGIOCKNVNDRU-UHFFFAOYSA-N 415.914 3.764 0 1 HHAF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NN2CCCC2)cc1 1857553088 XEKCOSOIEXGOIH-OUKQBFOZSA-N 402.542 3.949 0 1 HHAF O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)Nc1ccc2c(c1)COC2=O 1857615809 IXUZICWKBIUZSJ-UHFFFAOYSA-N 417.373 3.741 0 1 HHAF Cc1cc(N)c2cc(NC(=O)CC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 13448029 LRVAVDULSVIXOM-UHFFFAOYSA-N 414.469 3.532 0 1 HHAF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccco3)c(F)c2)C(=O)O1 26264056 ZUMXAGUYZOORQE-FQNPWXFGSA-N 423.238 3.773 0 1 HHAF Cc1ccc(C(=O)Nc2cc[nH]n2)cc1Nc1ncnc2c1cnn2-c1ccccc1 29050000 SJNHMMYYJKYOIJ-UHFFFAOYSA-N 410.441 3.843 0 1 HHAF C[C@H](C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1)c1cccc(C(=O)c2ccccc2)c1 29135192 RITIBOFHWVGIPC-AOMKIAJQSA-N 417.461 3.581 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(OC[C@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 66148115 MTYSPTUPQCBBJA-RQBNJVACSA-N 403.478 3.724 0 1 HHAF CCCCCNc1ncnc2c1nc(-c1ccc(O)c(OC)c1)n2C[C@H]1CCCO1 82186192 KMMLMBLYUPPLBI-MRXNPFEDSA-N 411.506 3.989 0 1 HHAF O=C(Nc1ccccc1OCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 84653260 KUNKNAKPKMDTPL-UHFFFAOYSA-N 413.562 3.878 0 1 HHAF COCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)ccc21 96929142 PFWNFUZTXGROBN-UHFFFAOYSA-N 404.397 3.740 0 1 HHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC 101616499 XYAYAUJYLLPTDJ-GHNGSUTGSA-N 402.451 3.586 0 1 HHAF CC1CCC(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CC1 149353265 ODNOICJNCOVJTI-CTWPCTMYSA-N 414.571 3.996 0 1 HHAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C(F)(F)F)CC1 206108832 ZHCCGWZBLZBPDY-UHFFFAOYSA-N 401.392 3.726 0 1 HHAF CC[C@]1(OC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 238735785 PHYQKWIULCXYSF-NAHZXOMBSA-N 403.563 3.777 0 1 HHAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587027532 RPKCDNHRDDSVHW-UAGQMJEPSA-N 424.526 3.881 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(F)c2)c1 587147657 WXVANAALXFSCDM-UHFFFAOYSA-N 413.796 3.550 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242420 LGEFQHWNLYURCV-UHFFFAOYSA-N 408.483 3.929 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O 587488063 PCGDDYLQEMKGEN-HXUWFJFHSA-N 423.918 3.916 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NS(=O)(=O)CC)cc1)CC2=O 587490356 XGEFPGTVZJDEMW-OAQYLSRUSA-N 403.500 3.987 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cnoc1)c1ccccc1O 587588296 SGAFHDSEQKQDFW-REWPJTCUSA-N 401.374 3.991 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600113 LHUJWRVGPBDZGA-RDPSFJRHSA-N 420.417 3.821 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cc(Br)cn2)N1 587684288 PFFKOBKFXMMTLN-PSLIRLAXSA-N 417.120 3.997 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2nccn2C)N1 587751752 AOCKZAWMRXDGJI-CWTRNNRKSA-N 401.283 3.543 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)nc2)N1 587766570 OAFUJHSVNLPKSI-KPZWWZAWSA-N 405.315 3.992 0 1 HHAF CON(C)C(=O)[C@H]1C[C@@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653797754 FVVHUTWGRYEXJN-SJORKVTESA-N 406.404 3.759 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccccc2Br)(C(F)(F)F)N1 962925580 WARQSUHQYRGDCI-GOEBONIOSA-N 418.184 3.993 0 1 HHAF O=S(=O)(NOCC1CC1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772654496 MWNZTBJPOZHBKG-XEZPLFJOSA-N 404.454 3.926 0 1 HHAF COC1=C(C)C(=O)OC1=C1O[C@@H]2CCCn3c([C@@H]4C[C@H](C)C(=O)O4)ccc3[C@H]2[C@H]1C 2356637098 GZYSVEMTTMYHDO-ZQJAEHDGSA-N 413.470 3.713 0 1 HHAF CC(=O)[C@@H]1C[C@]23C(=O)[C@@](CC=C(C)C)(C(=O)C(C)C)C(=O)[C@](C)(C[C@H]2C1(C)C)C3=O 2356679642 YWCYHQDJGKSIEV-LQECKZLJSA-N 414.542 3.923 0 1 HHAF O=C(Nc1ccc(F)cc1)[C@@H](CCc1ccccc1)N1CCN(c2ccncc2)CC1 95602344 FMDHQKGSMAOVPY-XMMPIXPASA-N 418.516 3.983 0 3 HHAF COc1cccc(NC(=O)[C@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)c1 6806132 GJMYFAHZWOWMDP-INIZCTEOSA-N 411.531 3.809 0 1 HHAF Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(ccn3C)c2)nc2c1c(C1CC1)nn2C 117513576 QBNVNLZYTSCLAT-OAHLLOKOSA-N 417.513 3.902 0 1 HHAF O=C1C[C@H](c2ccccc2Cl)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 103155046 XDQLFEYSMHALHZ-GOSISDBHSA-N 418.324 3.616 0 1 HHAF Cc1cc2oc(N3CCC(C(=O)N[C@H]4CC[C@@](C)(O)CC4)CC3)nc2cc1Cl 101660420 MZIWINCKCKSBFB-WEHONNDLSA-N 405.926 3.816 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CCC[C@H]2C)c1 118685492 XFVPZBSOZQCWGS-QZTJIDSGSA-N 423.492 3.820 0 1 HHAF Cc1ccc(-c2cc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)on2)cc1 147711109 PQLNBSKUDFLYCT-UHFFFAOYSA-N 400.438 3.991 0 1 HHAF Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 142258076 ZBYAJQNFTPTNFI-UHFFFAOYSA-N 411.433 3.672 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299886170 WSTWSBQHFWIKQQ-TUNNFDKTSA-N 406.507 3.560 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccco3)CC2)N1 587766398 GOCGUOJNAQYCIA-LBPRGKRZSA-N 407.283 3.847 0 1 HHAF C=CN1CCCC[C@H]([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587441500 GCXVXEAJPZHACA-XLNZFTOWSA-N 404.466 3.505 0 1 HHAF O=C1c2ccc(O)cc2OC2(CCC(N3CCOCC3)CC2)[C@H]1c1ccc(F)cc1 587340339 SHLIFCYRGFGKQJ-IGSLEHJCSA-N 411.473 3.904 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2cccnc2)no1 587656638 KBWMEZXXEUWWDU-UHFFFAOYSA-N 403.348 3.776 0 1 HHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586962796 HOYNIKAWCACHST-ZDUSSCGKSA-N 423.502 3.670 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCNCC2)N1 587768379 UYLUNXKLFFDVKO-ZUOKHONESA-N 404.327 3.621 0 1 HHAF Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N(C)C)nc12 587527759 ULSQAXVELVJXMX-LJQANCHMSA-N 403.482 3.654 0 1 HHAF COC(=O)c1cc(OC)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599174 DDMCICOYLNKKOT-SIKLNZKXSA-N 406.390 3.890 0 1 HHAF COc1cc2c(cc1OC)[C@](C)([C@H](C(C)=O)c1ccccc1C(=O)O)N(C)[C@@H](C)C2 962640521 REHGLUILQUKSPZ-PINLKFFASA-N 411.498 3.866 0 1 HHAF COc1cc(Cl)c([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962964144 JKFDDDRQSDKSMT-PXAZEXFGSA-N 418.223 3.977 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963637514 SNWKTPCADKXYLS-DMZKTXOQSA-N 417.889 3.533 0 1 HHAF O=c1c2ccccc2cnn1CCCCN1CCN(c2nsc3ccccc23)CC1 12356376 UMDBFJMJDROUKJ-UHFFFAOYSA-N 419.554 3.609 0 1 HHAF CCCCn1ncc(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13760986 ZHBCRQGORJHDDO-UHFFFAOYSA-N 402.458 3.819 0 1 HHAF COc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1 14945548 APPNGZTWXMXGRZ-UHFFFAOYSA-N 407.376 3.665 0 1 HHAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@H](O)c3ccc(O)cc3)CC2)cc1 169327187 LPWKWKIQIQVZNN-CLJLJLNGSA-N 418.537 3.993 0 1 HHAF CC[C@H](C)n1c2cnccc2c2cnc(Nc3ccc(N4CC[C@@H](O)C4)cn3)nc21 169706786 VBKQQDIWFTTXHE-GOEBONIOSA-N 403.490 3.660 0 1 HHAF CCOc1ccc(-n2nc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1 2942907 RAPCVNQSYAFTDS-CALCHBBNSA-N 405.498 3.903 0 1 HHAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4211776 RNIWBBFTXTVNKX-ZJOUEHCJSA-N 410.857 3.875 0 1 HHAF Cc1ccc(C)c(NC(=O)[C@H](C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)c1 8604582 USPIFSKYKMMSBS-ZDUSSCGKSA-N 406.408 3.879 0 1 HHAF Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccnc3)c2=O)cc1 25427522 XUADYYAGSZVXOW-MJGOQNOKSA-N 400.482 3.870 0 1 HHAF biogenic CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN([C@@H](C)c2ccccc2)CCO1 27707449 IRUPSXMYBVDTMY-DOTOQJQBSA-N 417.937 3.513 0 1 HHAF COc1ccccc1NC1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 28869982 LKZRXKGEHQPMRS-UHFFFAOYSA-N 407.514 3.648 0 1 HHAF CCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C 38427828 YMWUBSCBTSNNCS-UHFFFAOYSA-N 420.517 3.512 0 1 HHAF CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C 40440198 HKMYJCGBZHDCCU-ONCXAFAASA-N 420.619 3.789 0 1 HHAF Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5)CC3)cccc2n1 40893702 ACMJXMGGOZMZJM-UHFFFAOYSA-N 416.525 3.629 0 1 HHAF CCCCc1ccc(CN(CCc2ccc(CC(=O)O)cc2)S(C)(=O)=O)cc1 43013132 VMVSNMAPWLXDTK-UHFFFAOYSA-N 403.544 3.661 0 1 HHAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 72119926 ZOEXYEMQSFTACS-RJGXRXQPSA-N 408.546 3.920 0 1 HHAF FC(F)(F)c1ccc([C@H](c2cncnc2)N2CCN(c3nccs3)CC2)cc1 72184682 HNHVKIZEBSJYCO-QGZVFWFLSA-N 405.449 3.864 0 1 HHAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(F)cc2)C1 82140133 CZVYNRAXIUEKAE-HZPDHXFCSA-N 400.498 3.992 0 1 HHAF CC[C@H](C)O[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC 84742583 DYXPXIMMCYLCST-VCYFOLNLSA-N 406.482 3.694 0 1 HHAF CCOC(=O)CSc1nc2cc(N3C(=O)C4=C(CCCC4)C3=O)c(F)cc2s1 103204911 BWDRWBVBIKDUCG-UHFFFAOYSA-N 420.487 3.834 0 1 HHAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncnc3[nH]ccc13)CC2 117818069 VEADNGBANTZLOA-UHFFFAOYSA-N 414.513 3.848 0 1 HHAF O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(=O)c1ccco1 169690232 GSKBPAKYWOLDOS-JCURWCKSSA-N 422.264 3.717 0 1 HHAF C[C@@H]1c2ncn(-c3cnccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 218520824 CDRODBUPSNSSLM-LLVKDONJSA-N 405.355 3.580 0 1 HHAF C[C@H]1Cn2c(nnc2-c2cocn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219167685 ATRGWNSYGHAXFE-VIFPVBQESA-N 411.771 3.650 0 1 HHAF COc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1C 586943042 MUVDBSNRVMCKLA-UHFFFAOYSA-N 414.314 3.708 0 1 HHAF CN[C@@H](c1cccnc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587220355 AOBJLULSIUUAMM-LBPRGKRZSA-N 401.186 3.928 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587451352 XJEQGIUJTOVQPW-NOXFTYBFSA-N 412.507 3.906 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C 587476550 PWUHAQHFALWJEG-MCMMXHMISA-N 403.475 3.852 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587598179 WZHGDWPYSWEQDR-CFCCAZDESA-N 411.454 3.979 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2nccn2C)N1 587752137 BXVBTWBWKUVJHB-CWTRNNRKSA-N 401.283 3.543 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3s2)(C(O)O)N1 587858043 OFVUSXPZPKGFIR-GIGQVBGESA-N 422.319 3.891 0 1 HHAF COc1ccc2c(c1OC)C1(COC1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671104 IEYADTMSPCJBKH-UHFFFAOYSA-N 407.388 3.647 0 1 HHAF CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@H]2C 2356307741 OTQUMHRUQDURIR-OCDKFLRKSA-N 412.577 3.548 0 1 HHAF CC(C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C[C@@H](C)CCCCCC(=O)O 2356431937 KUYFQMXHLKRNIU-OXJNMPFZSA-N 417.502 3.678 0 1 HHAF CC1=C[C@H](CN2CCN(c3ccccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356499268 ZXLPVAUSODRGBJ-BDTNDASRSA-N 409.578 3.992 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN(CC)CC)c1 4049432 KDJZDXVZUFQENK-GGAORHGYSA-N 409.530 3.635 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 4050852 OXKSGFIKLJEWLD-HXGJMTJLSA-N 410.514 3.700 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@@](N)(CCCO)C2 2356294294 STTSAMAMJQQJKW-UJEUZESTSA-N 401.595 3.661 0 1 HHAF COc1ccc(-c2cc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)[nH]n2)cc1 61948862 LRILMYZMFAVUHB-UHFFFAOYSA-N 418.541 3.984 0 3 HHAF CCC1(CC)C(=O)N([C@@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@@H]1Oc1ccccc1 28461017 SBIYWMDMAPVVNJ-TZIWHRDSSA-N 408.454 3.545 0 1 HHAF COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@H](Cc3nc4ccc(C)cc4[nH]3)C2)cc1 2356484681 DEUDXARZSTWKHL-ZWKOTPCHSA-N 421.497 3.676 0 1 HHAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@H](C(C)(C)O)CC[C@]2(C)C=C[C@@H](C)[C@H]1OC(C)=O 2356652856 SJYTXRWLBZATEJ-YXEZIQDWSA-N 422.562 3.556 0 1 HHAF O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21 64548574 ONXAINPGJUQBMC-UHFFFAOYSA-N 419.569 3.790 0 1 HHAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@H](CNC(=O)c2cccc(F)c2)C=C1C 2356847893 PAICLUJCWNFTIA-IRFCIJBXSA-N 404.526 3.563 0 1 HHAF CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccccc3)[C@H](O)[C@]12C 215448528 MHAKHNGSHRWWIU-BJKOFHAPSA-N 418.449 3.841 0 1 HHAF C[S@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CCS3)cc1 34079722 YGHFVIHLZKIRND-CLJLJLNGSA-N 402.566 3.798 0 1 HHAF CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(Br)n2n1 72173432 RKODAVVWUYQOCX-UHFFFAOYSA-N 406.280 3.973 0 1 HHAF Cc1ncn(C)c1-c1n[nH]c([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(Cl)c3)C2)n1 1911584712 KLHYDNVEAJQGOW-WMLDXEAASA-N 412.925 3.965 0 1 HHAF NCCCC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 43204886 SXZGRKDCSDLPKD-HXUWFJFHSA-N 403.454 3.576 0 1 HHAF CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C(=O)O)CO1 199133062 ABHXPRVOHKAVNP-UHFFFAOYSA-N 408.476 3.564 0 3 HHAF CC(C)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O 82187548 RCWWPMMOXHTTDL-UHFFFAOYSA-N 424.524 3.756 0 1 HHAF CC1=C2C[C@@H]3[C@@H](CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)C(=O)O[C@@H]3C[C@@]2(C)CCC1 82051475 QHUOCFWXCGQIMY-ORLHOXEDSA-N 422.569 3.726 0 1 HHAF CC(C)(CC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccc(F)cc3)ccc2c1O 146703594 SYDRETOAEIYGBU-UHFFFAOYSA-N 423.400 3.727 0 1 HHAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893336 WBKNPNMAUZSOIK-VJBWXMMDSA-N 404.510 3.583 0 1 HHAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCO3)cc1 299836936 ITHOETOMDZFDFL-CQSZACIVSA-N 412.389 3.689 0 1 HHAF Fc1ccncc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1 299865415 NSODQPKRWCKUQN-FQEVSTJZSA-N 416.460 3.742 0 1 HHAF CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)n2ncnc2N1C 587796837 QTBWENIUWIXVCR-UDTOPMKXSA-N 420.330 3.914 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNC(=O)c1ccco1 587858344 FVMSMVGWZZWZTM-UHFFFAOYSA-N 408.241 3.919 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(F)(F)F 587091861 GYYBINPODGUQBZ-IBGZPJMESA-N 423.391 3.521 0 1 HHAF COc1cncc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587166903 DIFVZFAPSHOCRG-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF O=S(=O)(O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587016569 CEJXVXSKILLIIY-UHFFFAOYSA-N 423.479 4.225 0 1 HHAF CC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587171436 ZYRLOBHHSUTAQS-NRFANRHFSA-N 423.469 3.973 0 1 HHAF CCn1nccc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587762408 YJJHKBKNIKIVAX-FGUZWQGDSA-N 407.331 3.658 0 1 HHAF Cn1ncc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508615 WPUIMGFCGVGRRY-OAHLLOKOSA-N 408.239 3.610 0 1 HHAF c1ccc([C@@]2(Cc3ccc(N4CCOCC4)cc3)NCCc3nc4ccccn4c32)cc1 962990686 SKHSGPQTSRSFSX-HHHXNRCGSA-N 424.548 3.803 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@]12[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 963229539 NRNLJRLYOHPJQP-CRGOQACQSA-N 417.546 3.566 0 1 HHAF COc1cc(-c2coc3cc(OC)c(OC)c(OC)c3c2=O)cc(OC)c1OC 3197555 NCEXCGUAXVAJMI-UHFFFAOYSA-N 402.399 3.512 0 3 HHAF biogenic,in-vitro Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCC4)CC3)c2)c1 1772614030 VSAPFUJIFSGTJR-UHFFFAOYSA-N 420.557 3.913 0 1 HHAF CCOC(=O)c1cc(NC(=O)Nc2cccc(F)c2)n(C[C@H](O)c2ccccc2)n1 1772618716 VLPJCWGAHYJCSE-SFHVURJKSA-N 412.421 3.577 0 1 HHAF Cc1ccc(F)c(Nc2ccnc(Nc3ccc(OC[C@@H](O)CN(C)C)cc3)n2)c1 13538021 HKTRJIILONQAFK-KRWDZBQOSA-N 411.481 3.713 0 1 HHAF CCOC(=O)c1cc(-c2ccccc2)n(C[C@H]2CC(c3ccc(OC)cc3)=NO2)n1 15934978 SVVGIKKNQXICLD-LJQANCHMSA-N 405.454 3.929 0 3 HHAF O=C(NCCc1ccccc1)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15967909 USIRVCHFZPYCGY-ILBGXUMGSA-N 421.500 3.997 0 1 HHAF biogenic CCOC(=O)CNC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@H]1C 169320375 BUXWBZZLBFOYBS-MCCOCYNGSA-N 422.525 3.521 0 1 HHAF Cc1ccccc1-c1cnn(C(C)(C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 205224622 AYGREPSMWRWINT-UHFFFAOYSA-N 402.542 3.938 0 3 HHAF CCc1ccc2nc(N3CCC(N[C@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1 1857611945 GEUGRQYYFPZRCQ-FQEVSTJZSA-N 421.545 3.893 0 1 HHAF CCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCN(CCn2cccn2)CC1 603300 HTAVGYGJASJKIW-UHFFFAOYSA-N 421.520 3.852 0 1 HHAF Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@H](C)N[C@H](C)C4)cc32)c(C)c1 5930848 XTITXBINAHKLTQ-IYBDPMFKSA-N 423.488 3.631 0 1 HHAF O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@@H](c2cccnc2)N1C(=O)C(F)(F)F 13737566 SOQYSZMXQLDQMT-RDJZCZTQSA-N 405.401 3.951 0 1 HHAF O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1cccc(Oc2ccccc2)c1 13763593 ADZFNVIOXMBWIU-UHFFFAOYSA-N 408.435 3.636 0 1 HHAF C[C@H]1CC[C@H]2[C@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@H](N3CCCCC3)[C@@H]12 13907443 SYPNOGGRCOHUCT-WYBGNMACSA-N 416.606 3.510 0 1 HHAF CCO[C@@H]1O[C@H]2c3cc(OC)c(OC)cc3CCN(C)[C@H]2c2ccc3c(c21)OCO3 15257543 RKQVXLPPJBJDNJ-QNWVGRARSA-N 413.470 3.768 0 1 HHAF biogenic Fc1cc(F)cc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c1 15779252 WHQLESCHLLWLDM-UHFFFAOYSA-N 410.424 3.828 0 1 HHAF CCC(=O)CN1C(=O)[C@@H](NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21 28818236 PVPNBNMOQZTHJL-HNNXBMFYSA-N 415.902 3.550 0 1 HHAF COc1ccc(-c2nc(NC3=NC(=O)N(C)C3=O)sc2-c2ccc(OC)cc2)cc1 28902277 MAKYFMZIZBPKAU-UHFFFAOYSA-N 422.466 3.897 0 1 HHAF CC(=O)c1ccc2c(c1)oc(=O)n2CCCCN1CCN(c2ccc(F)cc2)CC1 59049980 VGDFDVKDWFJQHD-UHFFFAOYSA-N 411.477 3.539 0 1 HHAF CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 71282219 KBFVIGACRYUKGX-UHFFFAOYSA-N 402.882 3.574 0 1 HHAF O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 100106235 VKCRXWSEDGLRLK-KOUNCHBCSA-N 406.436 3.999 0 1 HHAF C[C@@H]1CCC[C@H]1N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 148524278 QVRCOYUUCFEVFM-FUHIMQAGSA-N 400.544 3.606 0 1 HHAF O=C(O)c1ccc(N2CC3(CN(C(=O)NCc4ccc(Cl)cc4Cl)C3)C2)cc1 205429547 ZDYLNGSKXVTHBP-UHFFFAOYSA-N 420.296 3.723 0 1 HHAF CS(=O)(=O)/C=C\c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586926006 LSTUPODFMLSJFI-KTKRTIGZSA-N 409.389 3.849 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)cc(OC)c3[nH]2)cc1 587040759 BJAWKGSEAHOGOH-QGZVFWFLSA-N 413.499 3.867 0 1 HHAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587086788 FSODTLRIXMZASK-UHFFFAOYSA-N 413.890 3.591 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 587123219 HGMPUAUPGVGVGQ-BDJLRTHQSA-N 408.428 3.674 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 587123226 HGMPUAUPGVGVGQ-BZNIZROVSA-N 408.428 3.674 0 1 HHAF CC[C@H](c1nc2cncc(Cl)c2[nH]1)n1cc(I)c(C)n1 587186130 SBPYBRUYHOTHMI-LLVKDONJSA-N 401.639 3.720 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(I)n[nH]c3c1)O2 587386037 HOBATNHXUUIAHD-HNNXBMFYSA-N 419.222 3.765 0 1 HHAF COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587390592 OABQRPAAJIFTAQ-IBGZPJMESA-N 403.438 3.940 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O 587428872 MLYWSVGICFUDQQ-TVTNDZMWSA-N 424.497 3.590 0 1 HHAF C=CN1CCCC[C@H]([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587440508 AQMSDPHXAZCTLG-XLNZFTOWSA-N 404.466 3.505 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@@H](O)[C@@H](C1)N2Cc1ccccc1 587489619 UVPQXLZXEHBHFE-UPMIHDDMSA-N 407.510 3.847 0 1 HHAF COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587500623 MOPCWUFPANPPKK-DHIUTWEWSA-N 412.869 3.540 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)CCCCCO)c(=O)c3ccccc23)c(O)c1 587667629 RIZINAAEUUPFLU-UHFFFAOYSA-N 423.513 3.808 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3C2=O)N1 587761309 PCWZSFYFLGIORJ-YBTHPKLGSA-N 417.278 3.634 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 587838598 OIFLOWNOWGEVQB-DGIBIBHMSA-N 404.235 3.970 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2NS(C)(=O)=O)N1 587842929 WVOPKGHEDKLRNE-BMLIUANNSA-N 413.312 3.583 0 1 HHAF COc1ccc(CCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC 587926319 WZCFLVYWUDLKOP-UHFFFAOYSA-N 419.485 3.815 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccn2)N(c2ccccc2)[C@H]1c1ccccn1 653810906 OBYNRBKAUUYVRB-WWNPGLIZSA-N 401.466 3.918 0 1 HHAF Nc1ccccc1-c1nc([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)co1 962625225 BVTGWUNPEYFFBT-SUMWQHHRSA-N 419.359 3.511 0 1 HHAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965634 LKVGSLXRIWHTGM-XFQAVAEZSA-N 423.843 3.779 0 1 HHAF Cc1nc2ccccc2nc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974768 LKXRSFGEIVRNNF-QRWLVFNGSA-N 403.816 3.732 0 1 HHAF C[C@@H]1Cc2ccccc2[C@@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963152360 UNRWRXMRHBBAHR-YDZGXFTCSA-N 400.500 3.825 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)nc2)(c2ccccn2)N1 963238730 WFPQROLYZKGSKS-CVDCTZTESA-N 416.868 3.569 0 1 HHAF Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3cc(Cl)ccc3c2)c(C)c1 1857549274 CCRKICGPORVGQG-UHFFFAOYSA-N 403.887 3.994 0 1 HHAF O=C(NCc1ccccn1)c1csc2c1CCN(CCc1nc3ccccc3[nH]1)C2 1857615046 MCHXFVKOUYEMAP-UHFFFAOYSA-N 417.538 3.550 0 1 HHAF C[C@H](Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1)C(=O)O 1857754561 YBZZMPQWPYBANH-LLVKDONJSA-N 406.360 3.891 0 1 HHAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@@]2(C)C[C@@]1(C)[C@@]4(COC(C)=O)C(=O)OC 2356751479 IYXXBNQIKXAQMV-ZKGSSEMHSA-N 422.525 3.567 0 1 HHAF COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3cc(C)sc3C)c2C)cc1 14967583 UKFTWWREDUACPV-ZDUSSCGKSA-N 405.545 3.907 0 3 HHAF COC(=O)[C@]1(O)C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 263590269 FTJWBJRBELSSHH-OTNCWRBYSA-N 419.452 3.933 0 3 HHAF COc1ccccc1[C@@H]1CN2C(=O)CN(C(C)C)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21 2130318 AOGMOVWEFUNSGW-AVRWGWEMSA-N 417.509 3.616 0 1 HHAF biogenic COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491941 WSJZCVHNQAIUTI-HXUWFJFHSA-N 410.514 3.875 0 1 HHAF Cc1ccccc1CNC(=O)C1CCN(c2nnc(-n3c(C)ccc3C)s2)CC1 6806123 KHYUTUOODHGNGO-UHFFFAOYSA-N 409.559 3.787 0 1 HHAF CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)C3CC3)CC2)[C@H]1OCc1ccccc1 12207953 PYXFCQIKJRHQBK-RPWUZVMVSA-N 418.537 3.733 0 1 HHAF C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)c1cccnc1)CC3 13817526 DTGRKGKZRPNEPS-KRWDZBQOSA-N 415.493 3.715 0 1 HHAF CCC[C@H]1CC[C@@H](c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2c1n[nH]c2=O 26575930 LLPHQLCFKBSZES-LPHOPBHVSA-N 401.474 3.685 0 1 HHAF COc1ccccc1C(=O)N[C@H](c1nc(-c2nc(C(=O)O)c(C)o2)cs1)C(C)C 28530407 RAZDPXQUAOSWPJ-HNNXBMFYSA-N 415.471 3.940 0 1 HHAF CCc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2ccc(F)cc12 28951856 WXTMVILEEDPYMG-LRTDBIEQSA-N 415.419 3.757 0 1 HHAF Cc1oc(-c2ccco2)nc1CCC(=O)c1ccc(C[C@@H]2SC(=O)NC2=O)cc1 29484740 CTGRCMLBXKRZHD-SFHVURJKSA-N 410.451 3.953 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@]1(O)C[C@H]3O 33820750 FRIBRXMIZUPTCV-WRIYIYSISA-N 408.579 3.593 0 1 HHAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2cccc(C#N)c2)n1 35415868 SRNHZQFIEMKNNU-BDTNDASRSA-N 413.525 3.884 0 1 HHAF biogenic COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)[C@@H](O)[C@H](C)[C@H](C)C2 40877455 MRKYWHWCKKOXEB-YRUZYCQGSA-N 404.459 3.661 0 1 HHAF CC(C)(C)c1ccc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cc1 71341196 NNTBWLJXCUKFPB-UHFFFAOYSA-N 415.541 3.801 0 1 HHAF CC(C)CCN(C)Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)COc2ccccc2)nn1 73198552 HTVHDDRYSONDKD-YADHBBJMSA-N 414.550 3.862 0 1 HHAF Cn1c(-c2ccc(F)cc2)nc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2c1=O 84712366 QVLHUTFKXVIYCA-UHFFFAOYSA-N 421.403 3.514 0 1 HHAF Cc1cc(Nc2nc(NCc3cc(C(C)(C)C)no3)ncc2Br)n[nH]1 84733937 XKPXDWQAHHLAML-UHFFFAOYSA-N 406.288 3.912 0 1 HHAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO 95877520 NCWZNGWGZGUEMP-CVJWPJSTSA-N 413.521 3.692 0 1 HHAF O=C(C1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878638 MWKSBEGZIHONLC-WTIAFYNJSA-N 410.489 3.595 0 1 HHAF CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 96272187 WAOJBMXXFTVPRQ-JOCHJYFZSA-N 413.949 3.825 0 1 HHAF NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4)c3)ncnc12 114349292 YKEMJPHTBLZSFI-UHFFFAOYSA-N 412.453 3.985 0 1 HHAF COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F 118072599 BMOOSZNCYAPHJA-GAJHUEQPSA-N 422.460 3.612 0 1 HHAF C[C@@H](O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147504723 KZIVXMMFXJRVHL-CYBMUJFWSA-N 405.903 3.658 0 1 HHAF COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 195140577 RBQKCFLDNBVADS-CKNWVHPQSA-N 417.549 3.992 0 1 HHAF O=C(c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1 224762980 WGYIXWOYVJDJCL-UHFFFAOYSA-N 402.429 3.903 0 1 HHAF O=C(NCc1ccccc1)c1ccc2c(c1)nc(N[C@H]1CC[C@H](O)CC1)c1nccn12 299845250 VPKUQFDACRBWRC-WGSAOQKQSA-N 415.497 3.528 0 1 HHAF O=C(O)c1cc(F)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587000761 UQLCIILYMLAEEH-UHFFFAOYSA-N 419.162 3.642 0 1 HHAF N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1F 587142685 KYFCQLYUOIXEMT-JTQLQIEISA-N 414.076 3.865 0 1 HHAF Cc1nc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1Br 587147891 CKRPYXYSPSDECN-NSHDSACASA-N 421.245 3.823 0 1 HHAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444624 WNNJTLQCNHFATG-XLNZFTOWSA-N 410.466 3.936 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(C(=O)O)ccc41)[C@@H](C2)C3=O 587450450 LYIGDEJKZRNYGJ-UQBPGWFLSA-N 412.397 3.629 0 1 HHAF O=C(O)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594342 GQYSYPBDEQYSNR-REWPJTCUSA-N 406.390 3.949 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)cc1 587596111 QWBQQUCCOJSYMB-URXFXBBRSA-N 402.450 3.505 0 1 HHAF COCCn1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587756883 MPBBGOXBGTYGSI-WYRIXSBYSA-N 410.331 3.846 0 1 HHAF COC(=O)CCn1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587758518 QHDOBGWGBCRQEP-DGIBIBHMSA-N 424.314 3.588 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 587847850 YVWJWJJREXSHNF-VOJFVSQTSA-N 410.308 3.543 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 587952208 MXLDWIDYSHUVLI-KLAILNCOSA-N 423.579 3.671 0 1 HHAF CC1(C)OCc2cc([C@@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962973397 WAHABJYJHHJRLR-KSSFIOAISA-N 409.816 3.952 0 1 HHAF Cn1c(-c2ccc(CN3C(=O)CCC3=O)cc2)cc2onc(-c3ccccc3)c2c1=O 1772606858 WBCMSGQWIABSQZ-UHFFFAOYSA-N 413.433 3.510 0 1 HHAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3nnco3)cc2)C2CC2)CC1 1772622022 IXOXOMDLUMLDOW-UHFFFAOYSA-N 412.490 3.741 0 1 HHAF C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1S(=O)(=O)c1cn(C)cn1 1772648168 QGXCVEORRPKPGU-MSOLQXFVSA-N 410.543 3.581 0 1 HHAF COc1ccc(CNC[C@@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@H]2O)cc1 2356287651 NBJATMBRXOEWSE-ZDXQCDESSA-N 408.498 3.591 0 1 HHAF CC(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356335649 CIVSJMYWHIZNJZ-MOPGFXCFSA-N 402.443 3.772 0 1 HHAF Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncnc(N(C)c3ccccc3)c12 2926895 VGZCKFBEIVMSCP-UHFFFAOYSA-N 424.526 3.747 0 3 HHAF C[C@@H](C1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1)N1CCOCC1 13593958 BVHVAVWMCIDPQF-KRWDZBQOSA-N 402.970 3.673 0 3 HHAF COc1cccc(-n2cc(CN(C)Cc3nc(Cc4cccc(F)c4)no3)cn2)c1 20204339 IALVPKPBUFUDBQ-UHFFFAOYSA-N 407.449 3.626 0 3 HHAF CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCOC)cc1 4055374 SXCJTSCDBSVKAS-TZIWHRDSSA-N 416.905 3.983 0 1 HHAF CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 20508510 LJARMFOYLFEMAY-YADHBBJMSA-N 423.582 3.745 0 1 HHAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)[C@@](O)(c1ccccc1)C1CCC1 22940369 SETLTJOYRUAMSH-XMMPIXPASA-N 412.961 3.715 0 1 HHAF COc1cc([C@@H]2CC(c3nc4ccccc4[nH]3)=NN2C(=O)c2ccncc2)ccc1O 103211863 NTOMPWMTQBWSOM-IBGZPJMESA-N 413.437 3.664 0 1 HHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2)cc1 100088407 TXUWUZPRXHXNFD-UBRQYEGLSA-N 404.535 3.791 0 1 HHAF O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3Cl)ccc21)Nc1ccccn1 103296089 CPNMEQJPSQJXPB-UHFFFAOYSA-N 423.881 3.981 0 1 HHAF CSc1ccc(CCOCCOc2ccc(OC[C@H](O)CNC(C)C)cc2)cc1 29348095 LADORASEDLLOPA-HXUWFJFHSA-N 419.587 3.784 0 1 HHAF O=C(N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1)C(F)(F)F 72186085 YPTYSDQCHYUPBN-MRXNPFEDSA-N 401.791 3.670 0 1 HHAF Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)c1 38210083 GXAJAEYMTGMWDK-UHFFFAOYSA-N 421.633 3.895 0 1 HHAF Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)cc1 73197588 ZJAAJZFEUMISMG-UHFFFAOYSA-N 412.559 3.792 0 1 HHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NCc1cccnc1)C2 15709130 JSFYXXLPUNSOKW-GHTZIAJQSA-N 409.574 3.696 0 1 HHAF biogenic CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187293 UCCAQDVTSLBHTF-UHFFFAOYSA-N 424.524 3.804 0 1 HHAF CC(C)c1cccnc1C(=O)Nc1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 226083948 JDLCQMGUYLJFPQ-CMPZQBNXSA-N 418.419 3.790 0 1 HHAF O=c1[nH]c2c(O)ccc(CCNCCCCCCOCCc3nccs3)c2s1 40476750 HNJDYHLUNRQCPZ-UHFFFAOYSA-N 421.588 3.704 0 1 HHAF N[C@@H](CNC(=O)c1cc2c(-c3ccccc3Cc3ccccc3)cccc2[nH]1)C(=O)O 43119267 XABBSEWVPQRAHT-NRFANRHFSA-N 413.477 3.567 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1CCC[C@@H]2CC[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12 40393068 CHWCXTAKZKUCIZ-CGDGMRKMSA-N 412.567 3.774 0 1 HHAF Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccc2ccccc2c1 95920919 SUFGPCLKXWRBHX-UHFFFAOYSA-N 424.507 3.501 0 1 HHAF in-vitro CN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cc2)CC1 96174447 ZNLVNACDDVREGB-UHFFFAOYSA-N 412.497 3.933 0 1 HHAF COc1cc(C(=O)c2nc(-c3ccc(Br)cc3)no2)cc(OC)c1OC 653708673 MPPXCSLFZGVNDJ-UHFFFAOYSA-N 419.231 3.756 0 1 HHAF CCNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587752697 FECLIMJISIPDEV-MPBGBICISA-N 421.310 3.727 0 1 HHAF COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587390593 OABQRPAAJIFTAQ-LJQANCHMSA-N 403.438 3.940 0 1 HHAF COC(=O)c1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349413 UPVQKMFSZNQIAI-PGRDOPGGSA-N 411.385 3.889 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3ccnc(Br)c3[nH]2)cc1 586969971 CZAIEFSQPLWMFH-UHFFFAOYSA-N 405.321 3.943 0 1 HHAF CCCCNC[C@@]1(c2ccc(O)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962763449 KPCPUPLEUOPTOV-FPOVZHCZSA-N 406.448 3.671 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](C(=O)c2ccc(C(F)(F)F)cc2)N1 963218074 BRVBVUUUDTZJGD-QZTJIDSGSA-N 400.356 3.777 0 1 HHAF C[C@]1(C2CCN(C(=O)CC3CCCCC3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11788711 GMUVTCSYRNKIOW-JOCHJYFZSA-N 417.575 3.768 0 1 HHAF COc1cccc([C@H]2CCCN2C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)c1 12037580 BGPANTXWNAPIMV-LJQANCHMSA-N 410.499 3.569 0 1 HHAF CCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(O)cc1 13126020 HJXSCPNCLBGBBU-UHFFFAOYSA-N 424.526 3.753 0 1 HHAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)cc(-c2cccc(Cl)c2)c1 13807608 JSTUSGOKEJOLIJ-SFHVURJKSA-N 410.861 3.632 0 1 HHAF COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)C(=N)CC=C2 169347095 IDCBSCIBZOEKTE-UHFFFAOYSA-N 407.495 3.990 0 1 HHAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@H]1C[C@@](C(=N)NO)(C2)C3 1857575340 QGTLXYMZZZDJFY-OBGBMVETSA-N 405.926 3.765 0 1 HHAF CCOC(=O)c1cc2cc(N3CCN(C(=S)NCc4ccccc4)CC3)ccc2o1 299822822 PJRHIHPZALUVEJ-UHFFFAOYSA-N 423.538 3.806 0 1 HHAF COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccco3)c(C)n2n1 4935690 BAYXUMWQRGNAKO-UHFFFAOYSA-N 404.470 3.864 0 3 HHAF CCCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(Cl)c3C)c21 6916253 PFZYGRWDHKBDAD-UHFFFAOYSA-N 400.910 3.682 0 1 HHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1F 104059937 RVOAYWIMLZIEEY-SXWSKBOKSA-N 410.247 3.856 0 1 HHAF CCCCC[C@H](O)C=CC=C(CCCC[C@@H](CCC(=O)O)NCC)C[C@H](O)CO 2356371304 JCSCLTATSIYKRI-FKBYEOEOSA-N 413.599 3.557 0 1 HHAF COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(CC3CCCCC3)C2=O)cc1 103243764 OJQMFTWVKXBCBC-UHFFFAOYSA-N 407.514 3.894 0 1 HHAF N[C@H]1CC[C@H](n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1 118528021 GGPTUXLMOLCPJR-CALCHBBNSA-N 410.481 3.930 0 1 HHAF CN1C(=O)[C@@H](NC(=O)c2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 27639088 GNEVDYXFVINBSM-HSZRJFAPSA-N 408.461 3.738 0 1 HHAF Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1 73140397 CSUGCPWZZFOQDN-UHFFFAOYSA-N 402.611 3.793 0 1 HHAF CC(C)(C)c1ccc(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)cc2)cc1 73224397 TVAZCOBMNDAYMB-UHFFFAOYSA-N 402.560 3.950 0 1 HHAF COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@@H]2O)CCc2cc(O)ccc2-4)ccc1O 14697271 KKBKTGYRMZXDKM-CPJSRVTESA-N 420.461 3.918 0 1 HHAF biogenic CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 71295880 BWKZOUXQRHLVNL-UHFFFAOYSA-N 423.300 3.919 0 1 HHAF CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 49784697 JSWUQIWMTVFTTB-DEOSSOPVSA-N 420.553 3.929 0 1 HHAF CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 82184730 JYGJEDSCOQPGKJ-NRFANRHFSA-N 412.505 3.733 0 1 HHAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 82083819 NZPOVARPRPCXED-CYBMUJFWSA-N 410.923 3.942 0 1 HHAF C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1cc(OC)c(OC)c(OC)c1 238755426 AUNNXKURVSUQQS-GQZHMQMXSA-N 404.459 3.725 0 1 HHAF O=C(O)C[C@H](NC(=O)c1cc(Sc2ncccn2)ccn1)c1ccccc1Cl 261170151 SUXFYWFMZCGVSH-HNNXBMFYSA-N 414.874 3.622 0 1 HHAF C[C@H]1CN(Cc2cccc(C(=N)N)c2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653738938 XFCBYZFSKKFRQH-IBGZPJMESA-N 419.573 3.509 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C1)O2 587398856 IMROHKFMPRNMKN-ROUUACIJSA-N 406.482 3.960 0 1 HHAF O=C1CCC(c2ccccc2)(c2nc3cc(I)cnc3[nH]2)CC1 587971329 ZQBMHELJPXHHTR-UHFFFAOYSA-N 417.250 3.992 0 1 HHAF Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341177 VNVOKBIKIVMCKA-WMZHIEFXSA-N 423.396 3.913 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ncccn4)c4ccc(OC)cc14)[C@@H](C2)C3=O 587429826 DFYXTPGFPHIRJC-SBUREZEXSA-N 413.433 3.926 0 1 HHAF O=C1C[C@@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c2c(Br)cccc2O1 587004820 ZCJCZKBIYAYJKD-MRVPVSSYSA-N 419.206 3.798 0 1 HHAF CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O 587108199 WYSUMWMSBHTYAZ-HLFMIMNKSA-N 412.489 3.702 0 1 HHAF Oc1cc(C2CCCCC2)c(O)n1-c1nn(-c2ncccn2)cc1Br 587938982 GAYKKUWWZNKCDS-UHFFFAOYSA-N 404.268 3.674 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587796989 UVTIZGYIJFLEEI-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF CCOC(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775320 ZDGDYCGMPVLCRR-HXPMCKFVSA-N 407.283 3.714 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1S(N)(=O)=O 587866795 PVNFPLHLQSITCB-UHFFFAOYSA-N 411.405 3.604 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](/C(I)=C/N(C)C)CC2=O 587470782 IXNQYZKTYGHANI-HMVFGEFZSA-N 401.244 3.517 0 1 HHAF Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587580803 ZJGCCAVVRYKIBT-YKSBVNFPSA-N 415.401 3.826 0 1 HHAF CCOC(=O)C[C@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355510 DOJGNZSILAFPMP-UNWVZKJWSA-N 414.429 3.761 0 1 HHAF COc1cc(F)cc(OC)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702924 SXQBYDBLUNPJGU-SUMWQHHRSA-N 417.330 3.689 0 1 HHAF C[C@@H]1CC(NNc2ccccc2)=C[C@@]2(C1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963227450 PZUAMNCPTLIVMT-PWBHZWRTSA-N 414.509 3.960 0 1 HHAF C[C@@H]1Cc2ccccc2[C@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963152357 UNRWRXMRHBBAHR-FFUDGTDTSA-N 400.500 3.825 0 1 HHAF CCOc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)cc2c1 962577976 ZLYJKSBTURXDRL-QKFKETGDSA-N 408.498 3.910 0 1 HHAF CCOC(=O)C[C@]1(c2cccc(F)c2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962568943 LUUSSFPYCCBEED-CMJOXMDJSA-N 401.478 3.916 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccsc1)(N1CCC[C@@H](O)C1)C(=O)N2 1772593645 WWQBGXBCMFMVEJ-VGSWGCGISA-N 409.511 3.672 0 1 HHAF CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1 12405440 NTRYVXHUXMWEIY-GOSISDBHSA-N 403.486 3.620 0 1 HHAF CCCC[C@@H]1CNC(=O)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662273 VUELDHYINOEILV-CQSZACIVSA-N 410.358 3.784 0 3 HHAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccc5ncccc45)c(=O)n1c23 1857592690 ZFTMYTVAAQJGEF-CYBMUJFWSA-N 417.440 3.832 0 1 HHAF CC(C)n1cc(-c2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2F)cn1 1857600948 RVHRSCWZOQVNMZ-UHFFFAOYSA-N 413.476 3.695 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCC(C)(C)CO 4310434 CZADVFJUACIYNC-NHCUHLMSSA-N 420.550 3.852 0 1 HHAF COCCn1c(-c2ccnc(Oc3ccccc3)n2)c(-c2ccc(F)cc2)c(=O)n1C 28520900 OKEMKCKKXGSYBH-UHFFFAOYSA-N 420.444 3.889 0 1 HHAF CN(c1ncc2ccccc2n1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118876048 GDYXIRDUQVTMRI-INIZCTEOSA-N 404.445 3.802 0 1 HHAF CC(=CCC[C@H](C)C1=C[C@H]2O[C@@]3(C)C[C@@]4(O)[C@H]5C(CO)=CC[C@@]14[C@@]2(C)C[C@H]53)CO 2356837165 LHLGFPJZAWXXIN-GWNGOZCJSA-N 400.559 3.525 0 1 HHAF Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)c1 73198337 XXTPJRORZQSJLD-UHFFFAOYSA-N 412.559 3.792 0 1 HHAF O[C@@H](COc1cccc(-c2ccc3c(c2)OCO3)c1)CN1CCc2ccccc2C1 218388944 BTGKIVTXNZUPCZ-JOCHJYFZSA-N 403.478 3.880 0 1 HHAF C=CC(=O)Nc1cccc(Nc2nc(N(C)c3ccc(OCCO)cc3)ncc2F)c1 219288875 BKZNVMHLHSYRKM-UHFFFAOYSA-N 423.448 3.623 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OC/C=C\I)[C@H](c1ccccc1)C2 36177199 PTARSFHGDDMYOJ-JMEDQDCOSA-N 411.283 3.745 0 1 HHAF O=C(NCCCn1ccnc1)c1ccc(O)c2[nH]c(-c3ccc(F)c(Cl)c3)nc12 73311718 LIGIIYFIBGCDCU-UHFFFAOYSA-N 413.840 3.745 0 1 HHAF Cc1c(Cc2c(O)nn3c(O)cc(C4CCOCC4)nc23)cccc1C(F)(F)F 95584897 GAKOZTLFTBJZSW-UHFFFAOYSA-N 407.392 3.953 0 1 HHAF CCCNC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(OC)cc3)ccc1N(C)[C@H]2CO 95877741 PWUKHVFSZKAVRO-VJBMBRPKSA-N 409.530 3.656 0 1 HHAF O=C(c1cccnc1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95877336 RCAQIFAZPLCEIE-VJBMBRPKSA-N 403.457 3.878 0 1 HHAF Cc1cc(=O)[nH]c(-c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)n1 96273764 DGCCKTUDIPJMOT-UHFFFAOYSA-N 414.483 3.728 0 1 HHAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCOCC2)cc1 95590314 AEHFELLNMGPWMT-QPABKMLOSA-N 409.482 3.755 0 1 HHAF COCC(=O)N(c1ccccc1OC)[C@@H]1CCN(CCc2cccs2)C[C@H]1C 253780440 KLDQMZIGULQNFS-IEBWSBKVSA-N 402.560 3.689 0 1 HHAF COC(=O)[C@H]1[C@H](c2ccc(Cl)c(I)c2)C[C@H]2CC[C@H]1N2C 253637628 BPVNLZVHXOKPAU-BVIHXZOGSA-N 419.690 3.684 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@H]2C3(F)F)cc1F 261190781 ZBBLWDKBBLAYBC-SJLPKXTDSA-N 417.449 3.597 0 1 HHAF COc1ccccc1N1CCN(CCCCCCn2c(=O)oc3ccccc32)CC1 299822620 BJGNKYUAHRWZNX-UHFFFAOYSA-N 409.530 3.986 0 1 HHAF C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583088 QCXQBUOCGZSNRK-CAVDFQHHSA-N 409.482 3.613 0 1 HHAF C[C@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576929 ITUVPZGQUXOHDG-QIAKTKIMSA-N 419.433 3.942 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586944846 YJESZRVFFIUWFJ-UHFFFAOYSA-N 418.931 3.861 0 1 HHAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)cc3[nH]2)s1 587023798 JFVHXIQBBDIXEO-UHFFFAOYSA-N 410.297 4.115 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895019 LBHDUGDWWJPXRI-UHFFFAOYSA-N 407.495 3.640 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896718 VXFIZKYINQTODD-UHFFFAOYSA-N 401.532 3.864 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)c(F)cc3[nH]2)cc1 586940962 LKRAITOQWOYZJR-SREVYHEPSA-N 424.295 3.863 0 1 HHAF CCc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccccc3C(F)(F)F)cc1OC)CC2 587863627 NRBXMKZVIYBOLJ-LBPRGKRZSA-N 419.407 3.634 0 1 HHAF COc1cccc2cc3c(nc12)[C@H](c1c(C)nn(C)c1Oc1cccnc1)NCC3 963058182 QJTUFHZKPZVSPG-QFIPXVFZSA-N 401.470 3.708 0 1 HHAF COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)c2ccc(F)cc2C[C@H]2CCCN21 963108806 YMYOVJDHRGWODW-IQGLISFBSA-N 420.484 3.714 0 1 HHAF CC(C)(C)C(=O)Nc1cnccc1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981708 VTVULFQUANTYOA-GUYCJALGSA-N 423.847 3.686 0 1 HHAF CCC(CC)[C@@]1(CC2OCCO2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962658304 CNGDMIJWXYBOOK-BJKOFHAPSA-N 412.530 3.728 0 1 HHAF Cc1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 12597222 RTYJIPUUXKJLOK-OAHLLOKOSA-N 421.513 3.987 0 3 HHAF CC1=Nc2nc(CCCO)nn2[C@@H](c2cccc(C)c2)[C@H]1C(=O)Nc1ccc(F)cc1 169687785 JDEGATQTPCXFFU-SFTDATJTSA-N 421.476 3.601 0 1 HHAF O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1 4238803 KFZQTPVAFASYPK-GOSISDBHSA-N 400.438 3.825 0 1 HHAF COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1cccc2ncccc12 1857541906 RQZXKTXKVVCWAG-UHFFFAOYSA-N 419.506 3.812 0 1 HHAF CS(=O)(=O)N(CC1CCCC1)C[C@H](O)Cn1c2ccccc2c2ccccc21 148458621 GWLVSWXZAOTAPU-SFHVURJKSA-N 400.544 3.607 0 1 HHAF COc1ccc2c(Oc3ccc(CC(=O)Nc4cnn(C)c4)c(OC)c3)ccnc2c1 43171008 MUWXXFVRGSATHH-UHFFFAOYSA-N 418.453 3.959 0 1 HHAF O=C(CSc1c2c(nc3ccccc13)CCCC2)N1CCN(c2ccccn2)CC1 4922234 BATYFBFWFKXXRS-UHFFFAOYSA-N 418.566 3.950 0 1 HHAF CC(C)Oc1ccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1 11970740 LADCUTUZHAZJNV-IBGZPJMESA-N 407.445 3.803 0 1 HHAF Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1F)=NC2 13821070 LXFDOIWPLKRNCI-UHFFFAOYSA-N 418.213 3.670 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)[C@H](Cc1ccccc1)S(=O)(=O)C(F)(F)F 26028685 QZVDHYJGKGRAGF-AWEZNQCLSA-N 412.838 3.617 0 1 HHAF COc1ccc(S[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 26987738 BGCBFSVLAFDGMW-BDLBJEBLSA-N 420.571 3.966 0 1 HHAF CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 34215653 QADJOKWXGQGSAA-JGQJCFNXSA-N 416.514 3.990 0 1 HHAF CC1(C)OC[C@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H](c2ccco2)N(O)Cc2ccccc2)O1 35995688 OMPWHXSXUIWDHQ-ZRNYENFQSA-N 403.475 3.884 0 1 HHAF biogenic NC(=O)c1ccc2[nH]c(-c3ccc([C@@H](O)c4cc5c(cc4Cl)OCO5)cc3)nc2c1 38334576 SULMDPWOSBMPJM-HXUWFJFHSA-N 421.840 3.793 0 1 HHAF CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccccc4)n3)C2)c2ncccc21 71296522 MMRUYXUSPJFWKJ-SFHVURJKSA-N 400.486 3.516 0 1 HHAF Clc1ccc([C@@H](NCCNc2ccnc3cc(Cl)ccc23)c2nnn[nH]2)cc1 103230546 TYFAUNCBRXSZBQ-GOSISDBHSA-N 414.300 3.846 0 1 HHAF O=C(Nc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)[C@@H]1C[C@H]1c1cccnc1 103241064 YDCBWTSYDGCCFI-VQTJNVASSA-N 414.433 3.935 0 1 HHAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 218807308 ZMVUVIKWZWFBIB-MRVPVSSYSA-N 409.302 3.629 0 1 HHAF COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1O 299856666 DCNGWBRYVSTJTB-RQTOMXEWSA-N 419.521 3.841 0 1 HHAF O[C@H]1C[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 586902698 LZERBHJACBMEMD-ONGXEEELSA-N 411.630 3.785 0 1 HHAF O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(F)c(F)c2[nH]1 586999451 ALKNKTMEDMZOTG-UHFFFAOYSA-N 408.202 3.572 0 1 HHAF Oc1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005795 SYMISKFLEXRHTN-UHFFFAOYSA-N 404.449 3.904 0 1 HHAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C)nc4[nH]3)ccc2s1 587034869 ZZVAAFCNISJGOV-UHFFFAOYSA-N 424.482 3.813 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCO3 587181615 WYDNJDXUPZAMOZ-QMMMGPOBSA-N 410.215 3.731 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 587183414 XPLWZMAVDULGBO-LURJTMIESA-N 422.057 3.984 0 1 HHAF COCOc1cccc([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587436309 NGGXKALTQYHIDS-HYBUGGRVSA-N 403.434 3.764 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515915 XKFUANHFONWBHC-SBUREZEXSA-N 415.486 3.611 0 1 HHAF CC(C)(O)c1nn2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586203 JGJWIOYOVYFDQT-SIKLNZKXSA-N 416.433 3.970 0 1 HHAF COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 587623608 YAGAAPCUORKCHS-UHFFFAOYSA-N 402.252 3.611 0 1 HHAF CS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(F)c1 587658927 VFQKHXYHLCWHNJ-UHFFFAOYSA-N 412.417 3.734 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2ccnn2)N1 587761201 UBAVFRMQPYHQAL-CWTRNNRKSA-N 401.283 3.967 0 1 HHAF CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793352 DPTAASHYKHIGSY-GBRAJLEPSA-N 400.288 3.821 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@H](c2ccccn2)N(c2ccccc2)[C@H]1c1ccccn1 653810903 OBYNRBKAUUYVRB-MZYLBHOOSA-N 401.466 3.918 0 1 HHAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(COCc3cccc(Cl)c32)N1 962703553 MAEIENRGUMAVON-CRAIPNDOSA-N 415.770 3.871 0 1 HHAF COc1c([C@]2(C)NCCc3c(C)ccnc32)ccc(I)c1F 963073317 POJKHCIQSYDVNG-KRWDZBQOSA-N 412.246 3.552 0 1 HHAF CC(C)(C)OC(=O)NC[C@@H](CC1CCOCC1)[C@@H]1NCCc2c(C(=O)O)cccc21 963120414 HNXDOZPPDTTXRK-UZLBHIALSA-N 418.534 3.529 0 1 HHAF CCOC(=O)CCc1c(C)c([C@H]2NCCc3c(C(=O)O)cccc32)c2ccccn12 963135152 XDAVQIBMBSYTLP-QHCPKHFHSA-N 406.482 3.677 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc3nc(O)[nH]c3c2)N1 963191436 IADSODTWDAKWDS-IUODEOHRSA-N 411.767 3.629 0 1 HHAF CCCC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@H]12)[C@](O)(CO)C3 1857617310 XJFLGTFMOKFQFX-BPTVCEAPSA-N 406.563 3.645 0 1 HHAF CC(=O)C[C@@H]1C[C@@]2(C)CC=C3CO[C@@H](CC(C)=O)[C@@]3(O1)[C@H]2C=COC(=O)C=C(C)C 2356586510 CHWHQKGWMYXOKD-OWDINHDYSA-N 416.514 3.847 0 1 HHAF CCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 924341 MPFRIPJFKIRONX-UHFFFAOYSA-N 415.467 3.768 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](COC(C)=O)C2 13825442 PXGXQXMEFGEVGU-CQSZACIVSA-N 416.495 3.664 0 1 HHAF O=C(O)Cc1nn(Cc2nc3cccc(C(F)(F)F)c3s2)c(=O)c2ccccc12 13860761 JAOFNJJQKQITIC-UHFFFAOYSA-N 419.384 3.700 0 1 HHAF COc1ccc(CN2C=CC=C3C2=Nc2cc(Cl)ccc2S(=O)(=O)N3C)cc1 28637768 CIOQNLABRQYKEB-UHFFFAOYSA-N 415.902 3.926 0 1 HHAF CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 28712946 KBRBDQUPSTVBGF-RZFJZAQRSA-N 420.553 3.875 0 1 HHAF O=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1c(F)cc(F)cc1F 43079606 OEVBFBWSOBDYRF-UHFFFAOYSA-N 409.408 3.849 0 1 HHAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 82177664 ZDPIBHWJOBWCBN-RXVVDRJESA-N 414.521 3.761 0 1 HHAF O=C1COc2cc(CN3CCN(c4ccccc4)CC3)ccc2N1Cc1ccccc1 103249215 UWMCKHQVXANAHI-UHFFFAOYSA-N 413.521 3.934 0 1 HHAF CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 103295122 XBMUSPWLGBICPD-HNNXBMFYSA-N 406.158 3.841 0 1 HHAF Clc1ccccc1-c1ccc2cnc(Nc3cnccc3N3CCNCC3)n2n1 144001125 WDENWXDMHCFKSS-UHFFFAOYSA-N 405.893 3.598 0 1 HHAF CC[C@@H](N[C@H](C)C1(C(N)=O)CC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220742364 FBOWGJOHHYEXKC-MLGOLLRUSA-N 403.885 3.800 0 1 HHAF CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 224588488 LQKKDKHQQOTCMA-UHFFFAOYSA-N 414.462 3.723 0 1 HHAF COc1cc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c(O)c(OC)c1OC 238756948 ORAKNMZTGLWYPZ-UHFFFAOYSA-N 411.410 3.560 0 1 HHAF Cc1cc(F)c2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 586940981 AVPCKTPYFUAUFK-UHFFFAOYSA-N 412.490 3.708 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586944183 NKAXOXCRMHSNSK-UHFFFAOYSA-N 418.931 3.861 0 1 HHAF COC(=O)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586958549 GIPOWUMIHMGSLH-VWLOTQADSA-N 421.316 3.852 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3cc(F)cnc3[nH]2)[C@H]1c1ccccc1Cl 587061124 KESYRHDNGDHKIT-KBXCAEBGSA-N 402.857 3.844 0 1 HHAF CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1OC(F)F 587131045 UFJPKOZPKXBNBZ-XBXARRHUSA-N 410.398 3.980 0 1 HHAF COc1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587169784 KQDUJFHNPPJFTO-LJQANCHMSA-N 411.458 3.779 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196700 VNMDCBJESXTKFO-CYBMUJFWSA-N 423.897 3.919 0 1 HHAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)C(=O)N(C)C 587387569 QCESRZGFQLFIJT-XOBRGWDASA-N 412.486 3.538 0 1 HHAF CCCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409981 OXRYLTCVICNWEZ-OAQYLSRUSA-N 402.516 3.536 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c[nH]c3ccccc13)CC2=O 587484416 OWWVMRWJBHXUKA-XMMPIXPASA-N 421.449 3.819 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)nc2)N1 587687603 YWWPLYZENLXHGN-UHLUBPPHSA-N 401.077 3.764 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587751856 ZHJFLONPOMOACD-APBUJDDRSA-N 409.299 3.985 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833699 ORMDSCXVTKEOOL-PJFSTRORSA-N 414.315 3.840 0 1 HHAF COc1ccc(/C=C/Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(OC)c1 587928988 ITQAECQDEBQALV-RMKNXTFCSA-N 417.469 3.895 0 1 HHAF COC(=O)c1cc([C@]2(c3ccccc3)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c[nH]1 962618759 DQAARKKLBNGNCJ-PUAOIOHZSA-N 420.509 3.987 0 1 HHAF Cc1c(O)ccc2c1[C@@](Cc1cccnc1)(c1ccc(Cl)cc1)N[C@H](C(=O)O)C2 963492922 UBGNASGEIBMMOL-WMZHIEFXSA-N 408.885 3.834 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963588568 ZBYKOBFRKVODPB-UPCLLVRISA-N 411.498 3.578 0 1 HHAF CNC(=O)c1cccc(Nc2ncnc(N3CC=C(c4ccc(C)c(C)c4)CC3)n2)c1 1772654391 ZYFKOPZCJMPCCQ-UHFFFAOYSA-N 414.513 3.885 0 1 HHAF CC1=C[C@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356314021 YABGGRNPJXBMFQ-VWPQPMDRSA-N 413.562 3.912 0 1 HHAF C[C@@H]1C[C@H](O)[C@]23C1=C[C@]1(C)CC[C@](C)(C[C@H](O)C(=O)C(C)(C)O)[C@@H]1[C@H]2CC[C@H]3C 2356484799 IDMQOGKKDALVSS-ROWYEGBJSA-N 404.591 3.873 0 1 HHAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC 776990 FHMVJXVRMQRMDX-CYBMUJFWSA-N 414.433 3.666 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc3ccccc23)s1 2315334 WTGFXIOUKKWEBF-ZWKOTPCHSA-N 417.446 3.749 0 1 HHAF O=C(NCCO)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F 2483120 VMDKTZMNCLIRSK-UHFFFAOYSA-N 423.213 3.771 0 1 HHAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC 4207581 LURJCMCGLLCJBG-ICSRJNTNSA-N 402.878 3.593 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4214880 QSGDKFLHDYLECJ-UXHICEINSA-N 405.564 3.891 0 1 HHAF COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N(C)Cc4cccs4)C3)nc2c1 12456315 LXWGAACDPLZHER-MRXNPFEDSA-N 410.543 3.883 0 1 HHAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(SC)cc2)ccc1=O 25408241 BXZKJKGUOXXKDK-ZBFHGGJFSA-N 400.569 3.546 0 1 HHAF biogenic O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1Cc1ccccc1 27996767 DVJYKNIEPGOXEC-UHFFFAOYSA-N 403.526 3.604 0 1 HHAF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccccc4)CC3)nc(N)n2)cc1 28761024 FKFHTWUPQQIISS-UHFFFAOYSA-N 402.498 3.678 0 1 HHAF COc1cc(OC)cc(C(=O)NC2CCN(C[C@H]3CCc4ccccc4C3)CC2)c1 36351793 DGPICROTJMMURG-SFHVURJKSA-N 408.542 3.703 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCOC2)cn1 40584771 YXZBSKLZCVBSNQ-HSZRJFAPSA-N 408.454 3.700 0 1 HHAF Cc1ccc(CNC(=O)c2cnc(N3CCN(c4ccncc4)CC3)c(Cl)c2)cc1 45301390 LDXVMOSTJPSKTC-UHFFFAOYSA-N 421.932 3.695 0 1 HHAF CC1(C)CC(NC(=O)C(=O)Nc2cccc(OCc3ccccc3)c2)CC(C)(C)N1 66252059 CKMCQLQSBNWRED-UHFFFAOYSA-N 409.530 3.630 0 1 HHAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C/CO)CC[C@@H]12 72107783 FPOQEAYVJGIQMQ-AAFILSKJSA-N 405.560 3.606 0 1 HHAF N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CC[C@@H]1c1cc(F)c(F)cc1F 96935536 MWCJMPVQJUBGAL-USBNGQNGSA-N 416.369 3.892 0 1 HHAF O=C1N[C@H](C(=O)O)Cc2cn(c3ccccc23)C/C=C/COc2ccc(Cl)c1c2 103260919 FXUVHANSMHURSV-RTLBZRNLSA-N 410.857 3.669 0 1 HHAF CC1(N(C[C@](C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(C)(=O)=O)CC1 148386633 LARKWKCYZCJAOV-OAQYLSRUSA-N 422.497 3.638 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(O)nc(N)nc2[nH]1 587087446 QSISZWULDSJFFS-SREVYHEPSA-N 416.272 3.671 0 1 HHAF O=C(NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cccc(C(F)(F)F)c1 587112340 TVPUEYFSISKZNU-UHFFFAOYSA-N 423.704 3.926 0 1 HHAF CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383326 AWBGPUQTMNGFTD-JOCHJYFZSA-N 410.401 3.790 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587433744 VSEDQVCKFXMQTL-UQBPGWFLSA-N 417.461 3.986 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H](O)[C@@H](C1)N2Cc1ccccc1 587489591 UVPQXLZXEHBHFE-HRJUXXABSA-N 407.510 3.847 0 1 HHAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S(C)(=O)=O 587531167 IVHPBQPJTDXEQW-JOCHJYFZSA-N 400.496 3.858 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O 587595309 REQVNRIECLUMLL-WMZHIEFXSA-N 408.406 3.992 0 1 HHAF C[C@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596291 QPLNYKZJRAKSTC-NFBKMPQASA-N 406.390 3.733 0 1 HHAF CCOC(=O)c1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587613862 QVADILYTBAUUBF-KKSFZXQISA-N 411.435 3.902 0 1 HHAF Cc1nn(C)cc1-c1ccnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661939 UFIDUSZXWIVPSP-UHFFFAOYSA-N 412.428 3.691 0 1 HHAF CCOC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775380 ZQACFGATZPQQBG-WYRIXSBYSA-N 407.283 3.958 0 1 HHAF COc1cc(C(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587806212 IYHFZRFHPXJCRB-NIVTXAMTSA-N 424.266 3.927 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587825790 FKGSBMFFISSGQE-FKIZINRSSA-N 420.278 3.718 0 1 HHAF CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@](C)(O)c1ccc(Cl)cc1 653729229 KNLKBQBHYPJRTH-UGKGYDQZSA-N 400.906 3.661 0 1 HHAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963106150 JTLWHHOKSLZJQE-RSEQLOHWSA-N 408.517 3.737 0 1 HHAF O=C(O)CCC[C@@]1(C2CC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181937 IDMOILQPCBVVNX-PBHICJAKSA-N 405.800 3.818 0 1 HHAF COc1cccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)c1 1772620991 MPUBGDBCQPOAMG-UHFFFAOYSA-N 400.482 3.737 0 1 HHAF O=S(=O)(/C=C/c1ccc(Cl)cc1)c1ccc(OCCCN2CCOCC2)cc1 1857604571 BYQKNKMQXOHNND-LICLKQGHSA-N 421.946 3.886 0 1 HHAF COc1cccc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1 1857754984 UOBBQTAFLZYTTL-UHFFFAOYSA-N 407.380 3.821 0 1 HHAF Cn1c(-c2ccccc2)c(/C=C/C(=O)NN2Cc3ccccc3C2=O)c2cccnc21 1911574116 UXSCDKZIRITUGF-BUHFOSPRSA-N 408.461 3.941 0 1 HHAF C[C@@H]1[C@H](O)O[C@]2(C)[C@H](C)C(=O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2356537426 SGAGBYUEVHJQBY-ZRTOKZGKSA-N 400.471 3.537 0 1 HHAF COc1ccc2nc(C[C@@H]3CN(C(=O)Nc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356541966 JBMNMOLXHLJQAT-JKSUJKDBSA-N 422.485 3.759 0 1 HHAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356653121 BCPZDSVCYKERMU-CSWWEMCMSA-N 420.590 3.745 0 1 HHAF CS(=O)(=O)c1ccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)cc1 205225896 JJEHBMZJKDRJTH-UHFFFAOYSA-N 421.518 3.863 0 3 HHAF COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3cc(F)ccc3F)c2)cc1OC 205228097 RCIUYNPIMRAUEJ-UHFFFAOYSA-N 415.440 3.897 0 3 HHAF COc1cc(Cl)ccc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 3948282 BIHGIMCBUUNHBP-OAQYLSRUSA-N 419.868 3.894 0 1 HHAF Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2nc3ccc(F)cc3s2)[C@H](C)C1 3986655 NVFGLGQDPBZIJS-LLVKDONJSA-N 420.901 3.930 0 1 HHAF COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H](CCC(=O)O)N1Cc1ccccc1 5580065 PWFSWGNUCOCART-RTWAWAEBSA-N 406.482 3.684 0 1 HHAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 6732867 HOKSQIYHGLPFML-UHFFFAOYSA-N 405.863 3.998 0 1 HHAF COc1cc2c(cc1O)CCN1[C@H]2Cc2cc(O)c(O)cc2[C@H]1Cc1ccc(O)cc1 14443931 YPWAKZWXYJJUFO-RTWAWAEBSA-N 419.477 3.957 0 1 HHAF biogenic CC(C)O[C@H](Cc1ccc(OCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O 26468309 NGCBWFOLJZBGAA-GOSISDBHSA-N 400.406 3.875 0 1 HHAF O=C(O)CCNC(=O)[C@H](CCc1ccccc1)C[C@@H](CCc1ccccc1)C(=O)O 26571087 CSNTXZULZKKKHM-NHCUHLMSSA-N 411.498 3.550 0 1 HHAF O=C(O)COc1ccc2c(-c3ccccc3F)noc2c1I 27518332 YIPFUXWUUZFVSH-UHFFFAOYSA-N 413.142 3.702 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccccc1CC(=O)O 27873069 GZGKUZXJFIEQTG-NRFANRHFSA-N 410.470 3.577 0 1 HHAF Cc1c(C)c(-n2cccc2)c(C)c(C)c1NNCc1cnc2nc(N)nc(N)c2c1C 28125185 LOGSJNCECBLVHV-UHFFFAOYSA-N 416.533 3.639 0 1 HHAF Cc1nc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 72139630 FOHKWCZGORLZQI-IBGZPJMESA-N 401.873 3.914 0 1 HHAF CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CCCC1)C3 82196097 AFRXAUCHENVPLG-UHFFFAOYSA-N 424.467 3.560 0 1 HHAF CC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1 84759596 REZJFFFRLYLHFH-IBGZPJMESA-N 415.541 3.781 0 1 HHAF O=C1CN(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 95866227 RXASKZNMLSGTDG-DGWZTRNLSA-N 416.496 3.664 0 1 HHAF COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100779906 USYOOQFISINJLZ-ABIJXHNVSA-N 406.519 3.959 0 1 HHAF endogenous,in-man CC(=O)CNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(Br)c3)c[nH]2)CC1 101000710 FHTXCGJNDDPSQI-OKILXGFUSA-N 404.308 3.818 0 1 HHAF CCC[C@@H]1c2c(nc[c-]2CO)C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 103531686 XNTPOCNHAZUZFA-MOPGFXCFSA-N 410.490 3.695 0 1 HHAF biogenic,in-vitro NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12 114345413 SHTJDUVIHHPLRU-UHFFFAOYSA-N 403.486 3.860 0 1 HHAF CCOC(=O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)O 117503359 PXXXIDKPNLGOEH-LJQANCHMSA-N 417.889 3.852 0 1 HHAF CN(c1ncc(C(F)(F)F)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118874908 MIHFCRASMBXREX-ZDUSSCGKSA-N 422.382 3.668 0 1 HHAF O=C(c1cccc2cncn12)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 149554904 AYSZLOKFUQJLFZ-LJQANCHMSA-N 408.408 3.811 0 1 HHAF O=C(O)c1cc(CC2=C[C@H](C(=O)O)C(=O)[C@H](c3ccco3)C2)cc(-c2ccco2)c1O 169719943 JJFDMLSCPMXOIY-RDJZCZTQSA-N 422.389 3.870 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1S(C)(=O)=O 202702244 ZMHXPXDYCGNCIG-QGZVFWFLSA-N 413.499 3.540 0 1 HHAF CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@H]21 473150917 NJCFDWCZYXNKMR-BAHGYDIPSA-N 416.569 3.789 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(N)ccnc3[nH]2)c1C=O 586967679 CNBUFCXUDNJNPG-UHFFFAOYSA-N 412.906 3.852 0 1 HHAF COC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1OC 587116184 RTXXYJFGJCOJBV-UHFFFAOYSA-N 402.332 3.987 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2ccc(CCO)cc2[nH]1)c1ccc(F)cc1 587171643 SLGHRZKPVTYQOH-UHFFFAOYSA-N 411.458 3.705 0 1 HHAF CC[C@@H](c1nc2cc(Cl)cnc2[nH]1)n1cc(I)c(C)n1 587186443 WQKFGBJGFFXGFD-NSHDSACASA-N 401.639 3.720 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587194275 PHPODMVOJOMXKP-CYBMUJFWSA-N 410.902 3.520 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1N1CCOCC1)CC2=O 587463574 YULNOPWEMKQXBV-SFHVURJKSA-N 402.878 3.936 0 1 HHAF CCCC(=O)C[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587795197 HVTRUKXFEVGYEG-ZMZPIMSZSA-N 400.288 3.640 0 1 HHAF COc1ccc(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)cc1 958054844 KYNKFZMEOYGZSP-UHFFFAOYSA-N 423.519 3.822 0 1 HHAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12N[C@@H](C)Cc1c(OC)ccc(OC)c12 963636386 QOZIEAKXXRKRGO-CNBSGPCYSA-N 422.569 3.779 0 1 HHAF Cc1cccc(CN2CC[C@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)c1 1772580008 FEAAPOLQVVDUPG-RTWAWAEBSA-N 400.469 3.926 0 1 HHAF COc1cc(-c2cn(CC(=O)Nc3cccc(C)c3C)nn2)ccc1-n1cnc(C)c1 1772645458 GCCPMKKXLQJTOD-UHFFFAOYSA-N 416.485 3.703 0 1 HHAF CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857598734 ZBRPBUKYJOIFCH-LBPRGKRZSA-N 415.588 3.782 0 1 HHAF CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OC)cs2)cc1 1857636072 WDKOGCJLYXNCMV-UHFFFAOYSA-N 416.524 3.794 0 1 HHAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356311762 FDJDVZHBIBAAPU-JZXOWHBKSA-N 421.538 3.822 0 1 HHAF O=C(NCc1ccon1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 13596251 ITXXYVWBCSEMRU-UHFFFAOYSA-N 405.498 3.691 0 3 HHAF CN1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 96901474 DCGILZCLOORGQM-ZOCIIQOWSA-N 414.431 3.747 0 3 HHAF COc1ccccc1C1=N[C@](C)(CC(=O)NCc2cccc(C(F)(F)F)c2)ON1C 206018963 MESSIXQHLPPYLZ-FQEVSTJZSA-N 421.419 3.760 0 3 HHAF Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 605223 VFBJYFVJYIGZBN-UHFFFAOYSA-N 418.522 3.931 0 1 HHAF COc1cccc(NC(=O)N[C@H]2CCC[C@H](NC(=O)Nc3cccc(OC)c3)C2)c1 13493805 FNTAEIPCZBYVBU-HOTGVXAUSA-N 412.490 3.958 0 1 HHAF CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ncccc2-c2nnn[nH]2)cc1 13560870 RCGLZCPMWOMFGZ-UHFFFAOYSA-N 410.485 3.983 0 1 HHAF CN1[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 13660653 DCGILZCLOORGQM-NIKGAXFTSA-N 414.431 3.747 0 1 HHAF CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 13862655 GTZZJXACLAMRNF-IFKAHUTRSA-N 416.521 3.963 0 1 HHAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25410758 YXZWNRDTKBPHMA-UZLBHIALSA-N 404.535 3.977 0 1 HHAF biogenic O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 45324371 FJAKPAPUGHHPRR-UHFFFAOYSA-N 400.438 3.733 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ncccc21 45350761 AYRAARHLSBTZKB-UHFFFAOYSA-N 400.438 3.733 0 1 HHAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 66076126 VBXJZIULAKTUKB-IBGZPJMESA-N 406.461 3.724 0 1 HHAF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1coc2ccc(-c3ccccc3)cc2c1=O 71332338 IHSWQJHZEAOHNT-FQEVSTJZSA-N 420.490 3.816 0 1 HHAF CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085635 GDZHHXWVVJAWFC-UHFFFAOYSA-N 423.966 3.859 0 1 HHAF COc1cc2nc(N(C)Cc3ccccc3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125078 CJCDTSUTANUQCR-KRWDZBQOSA-N 408.502 3.874 0 1 HHAF CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 82178386 PMNKWGBYRVAZKC-HXUWFJFHSA-N 413.529 3.985 0 1 HHAF COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3C2CCOCC2)ccc1-n1cnc(C)c1 95576300 SIOAZNRGFZWGSW-FNUHDPNESA-N 422.529 3.807 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95877990 JKBWWZVRFOKLPS-NLSFWIRASA-N 403.457 3.878 0 1 HHAF COCCNC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(OC)cc4)nc3c2)cs1 103248085 MJBVMFNLYNJFSW-UHFFFAOYSA-N 408.483 3.738 0 1 HHAF C1=N/CCNCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 104322047 IOMPXSOWTIMPGG-ODBZBXGJSA-N 414.509 3.681 0 1 HHAF CNC(=O)c1cnc(-c2cc(C(=O)N[C@H](C)COC)cc(-c3ccc(C)cc3)c2)s1 113762122 FEOXMZKMTZPLML-OAHLLOKOSA-N 423.538 3.910 0 1 HHAF CNC(=O)c1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1 205444269 OMAUHGLJRXOMLX-UHFFFAOYSA-N 401.510 3.684 0 1 HHAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@@H]3[C@H]1C5 253633316 KNIGTFRSJKNFFO-BJJUZWLDSA-N 403.522 3.689 0 1 HHAF Cc1cc2oc(N3CCC(C(=O)N[C@H]4CC[C@@H](CO)CC4)CC3)nc2cc1Cl 261139404 MUGVMTZRVAZLMI-FZNQNYSPSA-N 405.926 3.673 0 1 HHAF O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)CCC2 299841420 ZTISQJYIMPGHCK-JOCHJYFZSA-N 421.541 3.973 0 1 HHAF COc1cc(OC)cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 473097968 DTZKTJXOROSTPI-UBBRYJJRSA-N 416.470 3.805 0 1 HHAF CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1 473155333 RSUFAXFNHNJFQK-UHFFFAOYSA-N 400.483 3.680 0 1 HHAF NC(=O)c1nc(Nc2ccc3cc(CO)ccc3c2)sc1NC(=O)c1ccsc1 473164987 LRFJSCXEGYIQPP-UHFFFAOYSA-N 424.507 3.945 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)nc12 587147487 QOSGTRHRDRCTOE-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345788 GPMIDEGADXUFEL-NZQKXSOJSA-N 412.413 3.561 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)cccc21 587457979 FDFRYJNXHDBTRM-IBGZPJMESA-N 402.244 3.920 0 1 HHAF COC(=O)[C@H]1c2ccc(OC)nc2CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525552 MTAVZXQJEJGYPZ-ZJSXRUAMSA-N 407.466 3.576 0 1 HHAF CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576645 PELUVYSLCWGLSF-WZONZLPQSA-N 423.421 3.930 0 1 HHAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnccc2[nH]1 587785993 AIBQQPWFTLEKQP-UHFFFAOYSA-N 421.409 3.932 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 587846593 UYTLDWCVAUYHAK-BLVKFPJESA-N 424.335 3.934 0 1 HHAF CCOC(=O)CCC[C@]1(c2cccc(F)c2)NCCc2ccc(C(=O)N(C)C)cc21 962926249 ARRKPQVXAXHYGI-XMMPIXPASA-N 412.505 3.650 0 1 HHAF Cc1cc2c(cc1O)[C@H](c1c(C)nn(-c3cccc(Cl)c3)c1C)N[C@H](C(=O)O)C2 963493745 WUEISHXTBFEPCR-GHTZIAJQSA-N 411.889 3.845 0 1 HHAF CC(=O)NCc1nc(-c2ccc3nc(Oc4ccc(OC(C)C)cc4)[nH]c3c2)no1 1772585662 IISBTSDOPGFVRJ-UHFFFAOYSA-N 407.430 3.829 0 1 HHAF Cc1nc2c(N3CCOCC3)nccn2c1NCc1ccccc1-c1ccncc1 1772594128 JWILZFQETOBFGL-UHFFFAOYSA-N 400.486 3.548 0 1 HHAF COc1ccc(CNC[C@@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)cc1 2356287649 NBJATMBRXOEWSE-FIXSFTCYSA-N 408.498 3.591 0 1 HHAF CC[C@H](c1nnnn1Cc1ccccc1)N1CCC(n2c(O)nc3ccccc32)CC1 72136651 AXAPZZJDJVLKTO-HXUWFJFHSA-N 417.517 3.565 0 3 HHAF COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2C)OCO4)cc(OC)c1O 105524131 MPDXBMJHDYBXLL-VKCVVMHYSA-N 413.470 3.720 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 199360116 KGNYJQGVVULSGH-SFHVURJKSA-N 409.866 3.714 0 3 HHAF COc1cccc2c1N[C@]1(c3ccccc3)c3ccccc3-n3nncc3CN1C2=O 206036797 SLTRWUPFHNHYAZ-DEOSSOPVSA-N 409.449 3.559 0 3 HHAF CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1 53267770 DYGXCHMXCOSULO-UHFFFAOYSA-N 410.562 3.637 0 1 HHAF Cc1c(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)cnn1C(C)C 103241092 OCQFXUDEQJKKMO-VQTJNVASSA-N 424.526 3.742 0 1 HHAF CC(C)(C)c1nc2cc(S(=O)(=O)c3ccncc3)ccc2n1CC1CCOCC1 29048144 JWLNFRHNPUKINE-UHFFFAOYSA-N 413.543 3.988 0 1 HHAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccoc2)c1 114346955 OIHRDLGLZDFHAD-CYBMUJFWSA-N 401.426 3.747 0 1 HHAF O=C1c2ccccc2S(=O)(=O)N1CCCCN1CC[C@@H](c2ccc(Cl)cc2)C1 28770169 IATFGLZNNVFTIY-QGZVFWFLSA-N 418.946 3.754 0 1 HHAF CC(=O)Nc1cc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl 115722107 BDLBLCWMNJLLLI-UHFFFAOYSA-N 414.878 3.835 0 1 HHAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccccc2CO)c1 29038791 DLDUSKOAALOSDK-UHFFFAOYSA-N 418.565 3.746 0 1 HHAF Cc1cc(C)cc(Nc2nccc(-n3cc(C)c(CN4CC[C@H](C(=O)O)C4)c3)n2)c1 115869531 GJIZSZDBGLKUSJ-SFHVURJKSA-N 405.502 3.843 0 1 HHAF CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 38396024 GPVRTSCLEVUEQI-UHFFFAOYSA-N 412.461 3.662 0 1 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2cccs2)O3)c1 61908276 JBXGVTNHWGLDKX-JOCHJYFZSA-N 407.495 3.779 0 3 HHAF Cc1cc(C)c(S(=O)(=O)N[C@@H](Cn2ccc3ncccc32)C(F)(F)F)c(C)c1 38215965 DGELEWLFMTZTAW-KRWDZBQOSA-N 411.449 3.871 0 1 HHAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)NC12CC3CC(CC(C3)C1)C2 73196416 MZWMPUXEJIICDD-MSQNUCTKSA-N 407.514 3.746 0 1 HHAF COc1cc2nc(NCCCCc3ccccc3)nc(NC[C@@H](C)O)c2cc1OC 82129243 LAHNRMUPSSVLSJ-MRXNPFEDSA-N 410.518 3.875 0 1 HHAF Cc1nccn1-c1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)C)CC2)cc1 223658254 PMFDTWMHVRTEMZ-UHFFFAOYSA-N 410.518 3.795 0 1 HHAF O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 82205783 UDWGXPXFAFJUPR-WOJBJXKFSA-N 420.488 3.719 0 1 HHAF CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 82204107 BONPHKRTPRIBMU-ZCNNSNEGSA-N 410.566 3.512 0 1 HHAF COc1cc(NCCCCCCN2CCN(C[C@@H](C)O)CC2)c2nccc(C)c2c1 84462449 QWHRBSPAWBYWIG-HXUWFJFHSA-N 414.594 3.523 0 1 HHAF O=C(Nc1ccccc1F)N[C@@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1 45193845 RMBFAILNXRLAAX-MRXNPFEDSA-N 410.428 3.899 0 1 HHAF Fc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)cc1 82185624 DFWSSPTZWHDZFZ-GOSISDBHSA-N 404.449 3.819 0 1 HHAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(Cl)c(OC)cc2c1=O 95556239 AQEXVRFBDGOVRQ-UHFFFAOYSA-N 401.802 3.763 0 1 HHAF COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1F 95591636 CLPCUQNASLZOAU-UHFFFAOYSA-N 417.444 3.951 0 1 HHAF C[C@H]1C[C@@H](c2ccncc2CC(=O)c2nc(C3CCCCC3)ccc2N)C[C@@H](N)[C@@H]1O 96177731 MUCIUOCCXLEIEH-RHJBLKOOSA-N 422.573 3.734 0 1 HHAF COC(=O)/C=C\c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Br)c2)cc1 299858331 QQCCCVUOYPSEDK-UNZBNRTISA-N 418.331 3.890 0 1 HHAF Cc1ncc(C(=O)N2CCOCC2)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 299844895 MAONPZBNUBHQKX-IYARVYRRSA-N 423.513 3.673 0 1 HHAF CC(=O)c1cccc(OCCOc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)c1 587559468 IHHOJGSHAJPDSH-UHFFFAOYSA-N 417.421 3.763 0 1 HHAF COc1cccc(C[C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587353536 QXRFKPLKBBFZJP-QPPBQGQZSA-N 422.408 3.965 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 587751677 YSWUVHDPIMKFMR-CXDLXDAJSA-N 407.327 3.629 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587228203 IUVDDIFUZFBLHY-UHFFFAOYSA-N 422.363 3.960 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2ccc(Br)nc2[nH]1)C(F)(F)F 587091945 JUMCSFDISVAQAO-HNNXBMFYSA-N 415.213 3.884 0 1 HHAF CC(C)COc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br 587028261 OEHBBZSTWSOBMT-UHFFFAOYSA-N 409.309 3.747 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)c(F)cc3[nH]2)cc1 587040851 COUSSRMMZUJUNP-KRWDZBQOSA-N 401.463 3.997 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587560760 JXVKZKKGIUYWHE-JSSKOKSASA-N 409.530 3.853 0 1 HHAF COc1cccc([C@@]2(c3cc(C)ccc3C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963466722 DYLQCKABZPIKGP-CPJSRVTESA-N 418.493 3.612 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CCCCO2)cc1F 1772581186 NHSFBZYDYMUCPM-SNVBAGLBSA-N 405.904 3.717 0 1 HHAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)ncn2)C1 1772605689 WTJOCOFIGCKQLG-CQSZACIVSA-N 410.861 3.881 0 1 HHAF CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3ccc(Cl)cc3)n2)cc1 13537975 NSBUFSWCDJEGDQ-SFHVURJKSA-N 413.909 3.919 0 1 HHAF O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc3ccccc3c2)O1 13558359 MNMBQEDVTZVJFF-FYYLOGMGSA-N 407.491 3.834 0 1 HHAF COc1cccc2c1CCC[C@H]2C(=O)N(C)CCCN1CCN(c2ccccc2)CC1 13757337 RLCDLDPMLOPMDM-XMMPIXPASA-N 421.585 3.786 0 1 HHAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(N)cc2)CC(=O)O1 169359906 RVMZZZQUGVALPS-HHSIDCJUSA-N 405.560 3.539 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OCC4CC4)ncc3F)C2)cc1 169709288 KGXZVBSJDWJHES-MGPUTAFESA-N 413.493 3.864 0 1 HHAF O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 590689 MKVJQAZEXGSAIT-UHFFFAOYSA-N 400.438 3.837 0 1 HHAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(OC)cc1 3931490 BBRGBKXEWNNLOC-SFHVURJKSA-N 405.560 3.884 0 1 HHAF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 4051182 MVLMLUFVSRJKDS-ZDXQCDESSA-N 419.525 3.639 0 1 HHAF Cc1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)c2nn(-c3ccc(Cl)cc3)c(C)c12 6945005 JGBFAQRKEBFLPB-HNNXBMFYSA-N 424.936 3.581 0 1 HHAF CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCCCC1 26936839 XNJABFSXEGHQNI-UHFFFAOYSA-N 412.534 3.541 0 1 HHAF COc1ccc(-c2cn3c(O)nc4c(c3n2)CN(Cc2ccccc2)CC4)c(F)c1 100928912 WDGIHBJAUYEAMM-UHFFFAOYSA-N 404.445 3.808 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 66136619 FFPFPZSCNMVKJQ-TVSHIAKJSA-N 420.303 3.699 0 1 HHAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 82195511 QWXLZWXPQZUKOT-IBGZPJMESA-N 413.474 3.646 0 1 HHAF COc1ccc(-c2c(Cl)sc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N 45298549 LLKJCSNKESMWAJ-UHFFFAOYSA-N 422.890 3.836 0 1 HHAF O=C(O)CSc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1 40393429 DQEBGENLFNMXNZ-UHFFFAOYSA-N 410.495 3.896 0 1 HHAF CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 40602455 UJRUQLNCVSHWFC-SLSDLSHTSA-N 406.526 3.629 0 1 HHAF CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cn1 84729557 KECSFHUCLJADFZ-UHFFFAOYSA-N 424.530 3.629 0 1 HHAF CC(C)[C@]1(C)CC(=O)N(Cc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)C(=N)N1 148352683 IXLHCAZISVFYGN-OSPHWJPCSA-N 406.530 3.849 0 1 HHAF CC(C)C(=O)N1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 143328617 QRZHITIZNLKOHF-NRFANRHFSA-N 404.432 3.770 0 1 HHAF COc1ccc(-c2cn3nc(-c4ccccc4)c(CN4CCOCC4)c3n2C)cc1 248029054 NQJWLWLECFVTFJ-UHFFFAOYSA-N 402.498 3.848 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(CCO)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253708586 VOCNVBNHMPOAMF-WXZUINQYSA-N 418.622 3.697 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cnc3ccccc3c2=O)N1 587775141 QXUUZWGJHRAACY-MPBGBICISA-N 416.294 3.748 0 1 HHAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586960463 XNABBTQHXHEXSF-OAQYLSRUSA-N 409.467 3.824 0 1 HHAF CCOc1n[nH]c(-c2nc3ccc(Br)c(O)c3[nH]2)c1Br 586978870 AOCIIEKVBYUXSP-UHFFFAOYSA-N 402.046 3.582 0 1 HHAF Cn1ncc(I)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504613 KHFVJJCGPSXAAU-GOSISDBHSA-N 422.266 3.784 0 1 HHAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611992 SUSZFBYEPQKELP-HYBUGGRVSA-N 416.385 3.919 0 1 HHAF CN1CCC(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 587342381 DSRZZGOGGZISHN-HSZRJFAPSA-N 424.516 3.819 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCC(=O)CC1 587234222 HWASIWSGQKFOEJ-UHFFFAOYSA-N 401.360 3.982 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587197974 CFQZNLGSOMXAAW-HXUWFJFHSA-N 400.442 3.812 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587093242 YWEGQRCOOJPFKI-UHFFFAOYSA-N 416.425 3.743 0 1 HHAF O=C(O)c1ccc2c(c1)OC=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608023 IVWICIQATCBIFP-CVDCTZTESA-N 402.358 3.854 0 1 HHAF COc1ccc2c(c1)N(CCC(=O)O)C=C[C@]21c2ccc(F)cc2C[C@@H]2CCCN21 963098222 GEHRMPQKEWMBBS-UUOWRZLLSA-N 408.473 3.907 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@H](C)C2 962572351 JUVLMNMVPLYRBR-PUAOIOHZSA-N 422.525 3.819 0 1 HHAF Cc1cc2c(cc1O)[C@@H](c1c(-c3ccccc3)nc3sccn13)N[C@H](C(=O)O)C2 963521446 CEAUQBQAZRBBQY-LPHOPBHVSA-N 405.479 3.765 0 1 HHAF CC(C)Cc1cc(CNS(=O)(=O)c2c(F)cccc2F)nn1-c1ccccc1 1772592599 YSKFROGIJXOSPH-UHFFFAOYSA-N 405.470 3.828 0 1 HHAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1cc(-c2cccc(F)c2)no1 5034435 FVVFFYGSHNQDMA-UHFFFAOYSA-N 404.357 3.576 0 1 HHAF COc1ccc(CC2=NO[C@H](C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)C2)cc1 11789793 TUOFWCYYWCPZPW-VGSWGCGISA-N 418.497 3.665 0 1 HHAF CCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 13356656 DZWPIWDRMBMFED-UHFFFAOYSA-N 423.444 3.620 0 1 HHAF CC[C@H](CO)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794775 JCSNIDHKSKMRAH-CYBMUJFWSA-N 419.327 3.588 0 1 HHAF Cc1ccnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 169707926 YSKWMNDVEIFKAB-UHFFFAOYSA-N 400.442 3.594 0 1 HHAF NCc1cc(OCc2cccc(C(=O)NCc3cc4cc(F)ccc4s3)c2)ncn1 1857573552 VCRSMVIXRQDUMU-UHFFFAOYSA-N 422.485 3.798 0 1 HHAF O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@@H](O)CN1CCOCC1 13529160 ZXPWSOLCSBLNQC-QFIPXVFZSA-N 419.521 3.727 0 1 HHAF Cc1ccc(C(=O)N2CCC(F)(CNCc3cccc(N(C)C)n3)CC2)cc1Cl 13797291 ZVOKHVDANBFMRT-UHFFFAOYSA-N 418.944 3.844 0 1 HHAF CCN(CCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 28767136 QLQURERAJNHWJJ-FQEVSTJZSA-N 413.514 3.749 0 1 HHAF COC(=O)c1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1 40836595 QQQIEQVRBXHDHO-UHFFFAOYSA-N 413.451 3.854 0 1 HHAF CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 43069524 WBZIEKDSJFZPMX-VWNXMTODSA-N 408.498 3.591 0 1 HHAF CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 66148445 WODRAXKKRMEMTC-UHFFFAOYSA-N 422.550 3.700 0 1 HHAF O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)OCc1ccccc1)[C@@H]23 72180285 AFJHDUMDIAWCNJ-IIZPIQPGSA-N 400.519 3.753 0 1 HHAF O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1 96934881 QTOKHBBUJROVCY-UHFFFAOYSA-N 401.300 3.849 0 1 HHAF COc1c(OCC=C(C)C)cc(O)c2c(=O)c(O)c(-c3ccc4c(c3)OCO4)oc12 143800724 BTNOHCGQFSMMLK-UHFFFAOYSA-N 412.394 3.954 0 1 HHAF O=C(CC1CC1)N1CCC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167618354 DUVRUDUMUPFBPT-QFIPXVFZSA-N 420.513 3.799 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OC/C=C/I)[C@@H](c1ccccc1)C2 169342307 PTARSFHGDDMYOJ-UJGFAAGESA-N 411.283 3.745 0 1 HHAF Oc1cc(N2CCN(c3nc4ccccc4s3)CC2)c(O)n1-c1ccc(F)cc1 169688018 GFBJUIYLCZGAGT-UHFFFAOYSA-N 410.474 3.964 0 1 HHAF Oc1ccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112521 LFRJCEWTPSKRRK-HSZRJFAPSA-N 414.625 3.550 0 1 HHAF CN(C)c1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)cc1 209704714 LRRMZPZNVYNFIJ-NRFANRHFSA-N 417.509 3.757 0 1 HHAF Cc1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc(N(C)C)c1C 253673411 HVRQYIICIVLLPU-IYBDPMFKSA-N 403.477 3.591 0 1 HHAF COc1ccc(OC)c([C@@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccccc23)c1 299831260 NXXZHOBQSZRWLU-OAQYLSRUSA-N 407.422 3.516 0 1 HHAF CCCCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847668 MDELNINZIPQAOZ-DLBZAZTESA-N 405.930 3.540 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587136625 SXSXGBFPLFZRFK-UHFFFAOYSA-N 416.247 3.521 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1I)[C@@H](C2)C3=O 587428057 MXDFDBPFEDRWMR-SCLBCKFNSA-N 422.218 3.797 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cccc(OC)c1OC)CC2=O 587475586 AWKUMWRUUQAGPM-HSZRJFAPSA-N 414.454 3.786 0 1 HHAF CC(C)(C)OC(=O)N[C@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587512775 PKJOEFAEOURLAD-ZHRRBRCNSA-N 403.475 3.657 0 1 HHAF C[C@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613617 OEHKFMFQCLFLTR-XMSQKQJNSA-N 406.463 3.925 0 1 HHAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(Cl)cc1 587648783 HMFXHMBWYIRYSD-UHFFFAOYSA-N 405.859 3.633 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCOCC3)o2)N1 587773732 KQBPLMBCJWYBLQ-BUXKBTBVSA-N 409.299 3.637 0 1 HHAF COC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587797626 WLFIJDMFQHYDPH-FKIZINRSSA-N 422.294 3.938 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3s2)(C(O)O)N1 587855457 GHBDWFSYKPPRDQ-APBUJDDRSA-N 422.319 3.891 0 1 HHAF O=C(NC1CC1)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 653672859 GZNWYNNZLAFIBJ-UHFFFAOYSA-N 402.450 3.837 0 1 HHAF CCOC(=O)C[C@@]1(c2cccc(F)c2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962568948 LUUSSFPYCCBEED-NPMXOYFQSA-N 401.478 3.916 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2cc(F)ccc2F)(C(F)(F)F)N1 963223479 AWQCFHONHTWSFZ-PKOBYXMFSA-N 408.326 3.918 0 1 HHAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12N[C@@H](C)Cc1c(OC)ccc(OC)c12 963636384 QOZIEAKXXRKRGO-CIHKJSBTSA-N 422.569 3.779 0 1 HHAF Cc1ccccc1-n1nnc(C(=O)N=c2ccc3cc(Br)ccc3[nH]2)c1C 1857541472 BYNGLUXPSYFNDV-UHFFFAOYSA-N 422.286 3.869 0 1 HHAF O=C(c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1)N1CCCCCC1 11816512 WEIKYDVYGYJMOQ-UHFFFAOYSA-N 407.514 3.781 0 3 HHAF COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C 36384262 UIVLDWKALULWNB-HNAYVOBHSA-N 422.472 3.653 0 3 HHAF COc1ccc(-c2sc(Br)c3c2C(=O)[C@H]2OC(=O)N[C@H]32)cc1OC 1662873 AQUCZYWTBQPSOA-YPMHNXCESA-N 410.245 3.541 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 4310692 RQSRUKINBFTQMS-LEWJYISDSA-N 404.507 3.577 0 1 HHAF CCC(=O)[C@H]1[C@@H](c2ccc(I)c(F)c2)C[C@@H]2CC[C@H]1N2C 13439759 MFXOPVPJQXKRIK-NENTXLIVSA-N 401.263 3.976 0 1 HHAF CCCCCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O 13731024 KLGVXERPEPOIFU-QFIPXVFZSA-N 418.578 3.928 0 1 HHAF O=C(O)C[C@](O)(CSCCCCCC(=O)c1ccc(Cl)cc1Cl)C(=O)O 13758209 YICSURYXHIZCBO-KRWDZBQOSA-N 423.314 3.760 0 1 HHAF C=CC[C@]12C=C(OC)C(=O)[C@H]([C@@H]1OC(C)=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]2C 14658282 BTFCDJSUJSAEKO-VETIRGCYSA-N 400.471 3.661 0 1 HHAF biogenic O=c1nc(SCc2ccccc2)n(Cc2ccccc2)cc1Cc1cncnc1 26571378 RYYRHKLOJIUBFS-UHFFFAOYSA-N 400.507 3.965 0 1 HHAF CC[C@@H](OCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)O 26659716 ZYCDTLDJCVKZJG-YADHBBJMSA-N 416.949 3.927 0 1 HHAF c1nc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 28463435 TYCRGJHWMDJLCO-HDMKZQKVSA-N 405.506 3.534 0 1 HHAF CN(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)CCc1ccccc1 28525650 AOKUXGXXSMDXGL-QHCPKHFHSA-N 405.542 3.720 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@@H]2OC(=O)NC2=O)cc1 29322089 PHKPMIXOYKYKBG-FQEVSTJZSA-N 406.438 3.839 0 1 HHAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 29464861 YNLCTAYQYFOUMQ-UHFFFAOYSA-N 417.893 3.510 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@]1(O)c1ccc(F)cc1)CC2 34402028 BRKOVFUTTJGJEO-ZEVJAHDQSA-N 422.544 3.952 0 1 HHAF CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(N)cc(C(=O)O)c4)c3c2)c1 45187496 FOTGXDBXVZWJOX-UHFFFAOYSA-N 422.466 3.549 0 1 HHAF Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)c2ccccc12 45371420 SYPGYFXCMLCVHY-UHFFFAOYSA-N 420.538 3.785 0 1 HHAF COc1ccc(-c2noc(NC(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1O 45384852 MUZWOUFBMBMUFZ-UHFFFAOYSA-N 414.414 3.707 0 1 HHAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccnc3)C2=O)CC1 64548934 HBRVUVJCCFXDJC-UHFFFAOYSA-N 418.541 3.944 0 1 HHAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN([C@@H]3CCCNC3)C2)c2ccccc21 73224416 ABNVVKAVWJYHCL-CLOONOSVSA-N 418.516 3.663 0 1 HHAF O=C(NCCCNc1nc(Nc2cccc(F)c2)ncc1Br)C1CCC1 95564090 JUSSXPRFOJRUEO-UHFFFAOYSA-N 422.302 3.840 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CCCCC2)[C@@H]1c1[nH]cnc1Cl 103173081 CXCTTYCPQXWPFD-QGZVFWFLSA-N 421.925 3.985 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 113223021 MSSDMKJGEPOJRU-FXAWDEMLSA-N 412.493 3.652 0 1 HHAF COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)[C@H](C)C1 203454971 XZXXLPIPCBQIPA-DYVFJYSZSA-N 410.356 3.768 0 1 HHAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3cc(F)cc(F)c3)CC2)n1 253679534 XFFQLUJBNRFDLQ-UJKQEGAGSA-N 403.477 3.530 0 1 HHAF CCc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)c1 473137200 WOEHBGXNMWVBKR-IBGZPJMESA-N 405.527 3.529 0 1 HHAF CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NC)CC2 473210181 JKCYUIBVMXBRCG-PKTZIBPZSA-N 400.588 3.719 0 1 HHAF Cc1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 587186848 WWGGLGDLIKYDMY-UHFFFAOYSA-N 415.032 3.695 0 1 HHAF COC(=O)c1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587339425 QFPWEKSVGUGDEJ-REWPJTCUSA-N 407.397 3.987 0 1 HHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccncc1 587393840 ADZHPJIRUMPIGO-FQEVSTJZSA-N 404.422 3.907 0 1 HHAF CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516503 CWNXWVBVSIOKRD-ATIYNZHBSA-N 419.521 3.965 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587516888 GBBIEZJYZKITLV-GAJHUEQPSA-N 415.486 3.754 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1C[C@H](C)O[C@@H](C)C1 587863095 CMFVOSJPNUGFDM-KBPBESRZSA-N 411.424 3.717 0 1 HHAF CCOC(=O)CC[C@@]1(c2ccc(F)cc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906323 FRBRLVWPRFQDLC-GHTZIAJQSA-N 423.843 3.804 0 1 HHAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965628 LKVGSLXRIWHTGM-CKJXQJPGSA-N 423.843 3.779 0 1 HHAF CCCNS(=O)(=O)c1ccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963096642 FVNACZFKEOUSMJ-DENIHFKCSA-N 402.535 3.798 0 1 HHAF Cc1[nH]c2ccccc2c1CCNC(=O)CCCNCc1ccc(O)c2ncccc12 1857562244 BCBBZGKKBLKXIS-UHFFFAOYSA-N 416.525 3.959 0 1 HHAF Cc1ccc(F)c(NC(=O)Cc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)c1 1857611488 JHJLQTWKTXZCLW-UHFFFAOYSA-N 415.472 3.950 0 1 HHAF COc1cc(C(=O)OC[C@H](C)[C@@H]2CC[C@@]3(C)C[C@@H](O)[C@@]4(C)CC[C@@]23O4)ccc1O 2356619210 XHMSSIXKMBPWCK-IWTVZJEBSA-N 404.503 3.683 0 1 HHAF O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN(Cc2cc[nH]n2)C1 11663632 NVOGAZRPFKJRAD-KRWDZBQOSA-N 400.486 3.804 0 3 HHAF COC(=O)[C@]1(O)C[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 206047057 FTJWBJRBELSSHH-SGIRGMQISA-N 419.452 3.933 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCOC 4055357 JACYBLGQGVJJDG-FPOVZHCZSA-N 416.905 3.983 0 1 HHAF C1=N\CCNCC/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 13223199 IOMPXSOWTIMPGG-KYGWZODQSA-N 414.509 3.681 0 1 HHAF Cc1cccc(Cl)c1Nc1nc2ccc(N(C)CCN(C)C)nc2n2cncc12 13582037 LUAQAEKMXAFMSY-UHFFFAOYSA-N 409.925 3.981 0 1 HHAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 22941438 MHVPLSWUUSVXMG-QGZVFWFLSA-N 417.475 3.801 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccs3)c2=O)cc1 25412906 ISXANDNPCDSBCF-WBVHZDCISA-N 406.507 3.845 0 1 HHAF biogenic COCCN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(CN)ccc43)cc12 26482789 XEJHLKHWRSNEOC-LJQANCHMSA-N 403.530 3.619 0 1 HHAF CCCCOC(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 29337918 NYAMOGPJIJIVPB-RXVVDRJESA-N 403.526 3.610 0 1 HHAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccc(OC)c(Cl)c1 40847018 XNCBWUXOIKPLGI-HTXNQAPBSA-N 416.813 3.767 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)[C@H](O)C[C@H]21 42878188 GAQSWPYYPSDAAV-ZIICOCJGSA-N 418.574 3.559 0 1 HHAF NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1 43017939 HXAMHEIGBVROQA-UHFFFAOYSA-N 400.426 3.554 0 1 HHAF O=C([C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccccc1)N1CCCC1 45353008 LFJDYESTXMKZQI-XMMPIXPASA-N 401.510 3.849 0 1 HHAF CC(C)c1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cc1 95562863 GNFYOYVYGXMCPQ-UHFFFAOYSA-N 411.571 3.749 0 1 HHAF O=C(c1ccc(F)cc1)N1C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 96169499 MFAMMXPGEWSZTR-KBXCAEBGSA-N 422.378 3.849 0 1 HHAF O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 100658409 SWOXJENNAWKFCO-CYBMUJFWSA-N 416.384 3.862 0 1 HHAF Nc1c(C(=O)N2CCNCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 103241943 XSNBKHFEECFQQY-UHFFFAOYSA-N 406.433 3.610 0 1 HHAF CC(=O)OC[C@@]12[C@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC[C@H]1C(=O)OC[C@H]12 140291188 CGAMRRDIOTZYSI-XMGUHBHNSA-N 420.546 3.903 0 1 HHAF COc1ccccc1Oc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12 146375483 IDSAVRDLNFLTSB-UHFFFAOYSA-N 424.478 3.738 0 1 HHAF Cc1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1Nc1ncnc2cncnc12 148432755 UTAFFTYSUPPNQB-UHFFFAOYSA-N 402.462 3.745 0 1 HHAF COc1cccc(C[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199427607 QXUMCMWLWFPOQC-FQEVSTJZSA-N 418.541 3.934 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(Oc4ccccn4)cn3)C2)cc1 261187581 XYIHIFVRGFZRFF-OXJNMPFZSA-N 419.485 3.519 0 1 HHAF Cc1c(Br)cnc2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005857 WNVPVEMWNDVKFE-UHFFFAOYSA-N 403.465 3.902 0 1 HHAF COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587380496 VMFCRZGGHFIQIB-INIZCTEOSA-N 411.845 3.909 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C3CCN(C(=O)OC(C)C)CC3)c1)O2 587392116 QZSOPZUKYXQENE-FQEVSTJZSA-N 412.490 3.662 0 1 HHAF CCOC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587587734 OEDHSUSJODUSQK-WMZHIEFXSA-N 405.406 3.841 0 1 HHAF CCOC(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590385 ZRNVGBMUWUNAGD-OFNKIYASSA-N 405.406 3.598 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ncn2C)N1 587679072 FAUPXVZHVTVVHN-JVXZTZIISA-N 403.093 3.708 0 1 HHAF COc1ccc(C)cc1C(=O)CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587787228 LUVCNWOSLHPEFD-UHFFFAOYSA-N 417.469 3.755 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805555 HKVFQUCVSGKGIS-ODXCJYRJSA-N 420.278 3.764 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)n(C(F)F)n1 587868899 VPOATMDOQHXLPT-UHFFFAOYSA-N 401.295 3.561 0 1 HHAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc(OC)cc2OC)oc1C 621429323 GMEOXLYXVHBHBB-HXUWFJFHSA-N 423.465 3.786 0 1 HHAF Cc1c(F)ccc2c1[C@H](c1c(N)oc3ccc(Br)cc3c1=O)NCC2 962377671 RXZRPZSCCSVDBS-QGZVFWFLSA-N 403.251 3.820 0 1 HHAF Cc1ccnc2c1CCN[C@]2(COc1ccccc1C(N)=O)c1ccc(Cl)cc1 963075581 SRMBOAORUKXTTB-HSZRJFAPSA-N 407.901 3.611 0 1 HHAF CCc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183586 JOMDPIJDPQBUQT-IFXJQAMLSA-N 424.806 3.716 0 1 HHAF COc1ccccc1N1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@H](CO)C=C2C)CC1 2356308832 CDFMKBMDNQNXAC-PCCBWWKXSA-N 400.563 3.581 0 1 HHAF O=C(CCc1cn2ccccc2n1)N[C@H]1CCCc2c1cnn2-c1ccccc1F 11664688 HTJLXHYCFPAOSY-IBGZPJMESA-N 403.461 3.786 0 3 HHAF COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 61923656 AFXKNDHWOJNFSQ-FSSWDIPSSA-N 410.543 3.775 0 3 HHAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOCCO 4212713 KQIJICFTOGDRGS-VXKWHMMOSA-N 404.551 3.949 0 1 HHAF COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 5070821 OUAAJQWKNMZJEP-JOCHJYFZSA-N 424.541 3.684 0 1 HHAF COc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc(OC)c1 11840486 KLVLJSZAJWLHRR-NRFANRHFSA-N 424.541 3.647 0 1 HHAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 25429900 WWDJOJZJCLXEBW-UTKZUKDTSA-N 422.550 3.827 0 1 HHAF biogenic O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 26154868 ZBBKMZZNMFHCKK-UHFFFAOYSA-N 417.981 3.952 0 1 HHAF CN1C(=O)S[C@H](Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C1=O 27313594 XMUXBLCLJGJRMX-GOSISDBHSA-N 411.483 3.579 0 1 HHAF O=C(Nc1cccc(Br)c1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49033298 DGHJQOZATHYRCF-UHFFFAOYSA-N 406.119 3.928 0 1 HHAF Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1 72126259 GPKBJJOYVKRXDL-UHFFFAOYSA-N 418.848 3.975 0 1 HHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1F 104059932 RVOAYWIMLZIEEY-MRPLLJTBSA-N 410.247 3.856 0 1 HHAF C[C@@H]1CCCC[C@@H]1N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 148310999 GVEYIRBPTHBSFV-LQWHRVPQSA-N 414.571 3.996 0 1 HHAF O=C(Nc1ccc(-c2noc(CNC[C@H]3CCCO3)n2)cc1)N1Cc2ccccc2C1 166994737 QOWDLDGHQDNWPQ-HXUWFJFHSA-N 419.485 3.553 0 1 HHAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccccc2N)CC(=O)O1 253793006 UQKQHBDJKMZRGP-QJDYMEMVSA-N 405.560 3.539 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253995075 DLYVTEULDNMQAR-BCHZIUIKSA-N 422.606 3.537 0 1 HHAF O=C(c1cccc2c1OC(F)(F)O2)c1c(CO)oc2cc(Br)cnc12 587276651 PLWQBIJZIDEWMW-UHFFFAOYSA-N 412.142 3.635 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C[C@@H](NC(=O)C(F)(F)F)c4ccsc41)[C@@H](C2)C3=O 587420844 MHKWMOPNSYKCFM-VNBZBWLYSA-N 409.385 3.523 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](CCCC(=O)CNC(=O)OC(C)(C)C)CC2=O 587472197 YSNJPJRZKDVXDB-OAHLLOKOSA-N 405.491 3.943 0 1 HHAF Cc1cccnc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577134 JCJDEBGMBAQFCQ-XXBNENTESA-N 404.422 3.845 0 1 HHAF CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)n1 587639084 VAYBKAOHRPVDCT-UHFFFAOYSA-N 410.817 3.944 0 1 HHAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587752256 DOUDFZXUHBDWGK-MRRFBWAASA-N 407.327 3.983 0 1 HHAF CCNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587753180 GOPNIJIVJMGXRC-FKIZINRSSA-N 421.310 3.727 0 1 HHAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 587809639 SKFFYHSTKUMNGJ-XTZNXHDOSA-N 406.251 3.811 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NS(C)(=O)=O)cc2)N1 587840909 OEWCWZITZRITMK-QGHHPUGFSA-N 413.312 3.583 0 1 HHAF COc1ccc(CNC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587869175 AYTUORVMSNTSFA-UHFFFAOYSA-N 422.432 3.904 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC 653916388 NCHMAYMWNJCRJC-UHFFFAOYSA-N 416.861 3.576 0 1 HHAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2n1 1857645565 BRGSHTLQRJQDNM-UHFFFAOYSA-N 400.404 3.884 0 1 HHAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1ccccc1Br 770555 UZGGPJSMEVHDJD-FQEVSTJZSA-N 417.303 3.905 0 1 HHAF CCc1nn([C@@H](CC)C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc3occc3n12 8965080 UZBYTGUAEXITIJ-HNNXBMFYSA-N 412.877 3.726 0 1 HHAF CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 13733373 UZVACIIIMHBSTR-HSZRJFAPSA-N 413.445 3.681 0 1 HHAF CCCCC(=O)N(C)Cc1ccc(CN2CCN(c3ccccc3OC)CC2)n1C 13743833 RNDCMHYDTXTBFA-UHFFFAOYSA-N 412.578 3.505 0 1 HHAF Cn1cc([C@H](C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21 28604319 MROJOEUYLONABH-GFOMBABLSA-N 422.780 3.977 0 1 HHAF C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(C(=O)c2ccccc2)c1 29135011 WPJSPPIENFHKJO-VGSWGCGISA-N 401.462 3.833 0 1 HHAF COC(=O)/C=C/C(=O)Nc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1 29482541 IIPKTIYOIIDCGC-CMDGGOBGSA-N 406.438 3.511 0 1 HHAF C1CCN(CCCOc2nc3c(s2)CN(CCCN2CCCCC2)CC3)CC1 64548552 SYMZYURRALQTPH-UHFFFAOYSA-N 406.640 3.632 0 1 HHAF in-vivo COc1ccccc1NC(=O)N1CC(c2nc(-c3ccc4ccccc4n3)no2)C1 72179384 YDGSOWXXLUZZGG-UHFFFAOYSA-N 401.426 3.925 0 1 HHAF Cc1ccccc1-n1c(C)nc2cc(NS(=O)(=O)c3ccccc3)ccc2c1=O 73298247 QPWVXUMTBUAAEQ-UHFFFAOYSA-N 405.479 3.803 0 1 HHAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084020 XUWNXBAXXVHUEM-INIZCTEOSA-N 410.470 3.973 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc(C)c2)s1 82173351 SHXFREOFUQRMDR-MRXNPFEDSA-N 407.543 3.840 0 1 HHAF Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2C[C@@H]1CCCO1 82180223 KUZIDVTWRZDFLH-IBGZPJMESA-N 400.486 3.988 0 1 HHAF COc1cc(-c2cn([C@H]3CCC[C@@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 84619042 UXTJPZLJPAQZEA-FPOVZHCZSA-N 422.533 3.704 0 1 HHAF C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@H](Cc5ccc(N)nc5)C4)(C[C@@](N)(CCO)[C@@H]31)O2 85543240 YMAGGZDWBUAIJN-DLDMKGCKSA-N 413.606 3.830 0 1 HHAF biogenic,in-vitro Cc1cccc2cc(Cn3nc(CF)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12 88345975 FZCQILRZFQOOHZ-UHFFFAOYSA-N 414.444 3.539 0 1 HHAF CN1C2=N[C@@H]3C=CC(Br)=C[C@H]3C2=C(NCCCN)c2cc(Cl)ccc21 103186531 NFOMQZYFCYFMCN-UKRRQHHQSA-N 419.754 3.685 0 1 HHAF O=C(NC12CC3CC(CC(C3)C1)C2)c1nc([C@H](O)c2cccnc2)c2ccccn12 103269052 INBYZTBXXIUGMV-FRIJYXMCSA-N 402.498 3.510 0 1 HHAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](CC1CCCCC1)[C@H](NC)CC2 142970197 YGNVNIZMZPPOME-DHIUTWEWSA-N 422.635 3.983 0 1 HHAF O=C(Nc1cc(-c2ccc(F)cc2)on1)c1ccc2cc3n(c2c1)CCCNC3=O 147713493 DNWADSCQPSZJGE-UHFFFAOYSA-N 404.401 3.821 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 299887945 ZQRSSZKSSSIKFV-CGBFJRLDSA-N 413.470 3.799 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586971012 RMIVEWYFXXLGLB-UHFFFAOYSA-N 424.570 3.618 0 1 HHAF COC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1OC 587167754 CEUSZQNNCCMCQO-UHFFFAOYSA-N 407.405 3.622 0 1 HHAF COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 587239928 OXQPSQCZDOUSMV-PYDTXJQDSA-N 402.495 3.522 0 1 HHAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O 587417752 PTWCNFUXFBPNPL-TXQDTLIQSA-N 415.287 3.571 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420633 QOKDEYOWJHCOKX-QRQCRPRQSA-N 414.841 3.514 0 1 HHAF COC(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599862 IGHXHFWSRPQYIT-ZJSXRUAMSA-N 420.417 3.821 0 1 HHAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615395 GUFFBIYYYGNZJU-OFSQETHSSA-N 412.438 3.615 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 587767578 RVNOQVQJGUFSQX-QKKBWIMNSA-N 418.354 3.964 0 1 HHAF CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)n2ncnc2N1C 587799445 ZDZXYBHTLDXION-WLCUFGOBSA-N 420.330 3.914 0 1 HHAF Cc1ccc(CN2CC[C@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 1772628111 HKJQOALDDUBRBV-SFTDATJTSA-N 400.469 3.926 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OCC1CCN(Cc3ccccc3)CC1)C2 1772656073 VOMHGBQVDNTLCX-OAQYLSRUSA-N 423.509 3.514 0 1 HHAF C[C@H](NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1)C(N)=O 1857550730 QIZVZSVZFSJKHG-KRWDZBQOSA-N 403.482 3.655 0 1 HHAF COc1cccc2nc(C[C@@H]3CN(Cc4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c12 2356302704 QQBBTDPAOXZWDO-IAGOWNOFSA-N 411.477 3.866 0 1 HHAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)CCC(=O)C[C@H](CO)C1 2356801648 QTVNNEMBCMYHSR-DGLSEGLGSA-N 415.574 3.613 0 1 HHAF Cc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 4964974 DZXVAHAHKRRBFQ-OAQYLSRUSA-N 420.538 3.551 0 3 HHAF O=C1C[C@H](c2ccc3c(c2)OCO3)N=C2N(CC3CC3)C/C(=C/c3ccccc3)N12 205704424 JAUIHVFPSOWXJC-KJAJEWJFSA-N 401.466 3.811 0 3 HHAF COc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1 3820618 NGGBFMVANHAJOQ-UHFFFAOYSA-N 402.458 3.609 0 1 HHAF COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc(OC)c1 4052962 HLMFGNQDKQSLSF-GMAHTHKFSA-N 420.465 3.748 0 1 HHAF Cc1cccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1C 4977846 PQBLVODFEIOMIT-PMNYKWLYSA-N 417.505 3.851 0 1 HHAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1cccs1)C(C)(C)C)CC2 13588138 RYPYLHGKDFBLIZ-HXUWFJFHSA-N 402.560 3.855 0 1 HHAF O=C(O)C[C@](O)(C(=O)O)[C@@H](O)CCCCCCCCc1ccc(Cl)cc1Cl 13781071 PHSBRGPYVCDTFB-QFBILLFUSA-N 421.317 3.918 0 1 HHAF CCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 28007977 QSEWBONWOPSITJ-HYSAVQALSA-N 405.458 3.707 0 1 HHAF CCO[C@H](Cc1ccc(OCCN2c3ccccc3O[C@H]3C=CC=C[C@@H]32)cc1)C(=O)O 40457080 ACYMEKQXUVUFGC-ODGPQVTHSA-N 421.493 3.860 0 1 HHAF O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 73224857 SGBSKNKMLNQHSJ-UUOWRZLLSA-N 420.944 3.787 0 1 HHAF Cc1ccccc1-c1nc(N2CCC[C@@H](C(N)=O)C2)ncc1-c1nc(C)c(C)s1 82177447 WUCRRKMGTLFHKY-MRXNPFEDSA-N 407.543 3.894 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](C)(O)C2 100043980 NXFQFMQHRMNENU-KWOQKUFVSA-N 415.599 3.954 0 1 HHAF CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)C[C@@H]3N4)cc2)cc1 100099462 ZZOMFZZBCVWQTF-UBRQYEGLSA-N 417.553 3.512 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cncc3ccccc23)CC1 101472710 DJYIPFDEPXSPEY-MPMFOTPSSA-N 417.509 3.763 0 1 HHAF CC1=C(C(=O)OCC(C)C)C(c2[nH]cnc2Cl)C(C(=O)OCC(C)C)=C(C)N1 103222107 MZJYDISUBHDZRC-UHFFFAOYSA-N 409.914 3.696 0 1 HHAF N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)cnc3Cl)ccn2)CC1 115455091 BQMJVUJVARCOJD-CALCHBBNSA-N 416.957 3.712 0 1 HHAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1 143352340 RAYLZZYHGLFBRJ-UHFFFAOYSA-N 421.482 3.625 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(F)cc1 169350261 WHJQGTMLFBXJGB-VPPOCLQFSA-N 414.473 3.810 0 1 HHAF NC1=N[C@@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@H](CCC(F)(F)F)C21CCC1 220716930 DSTJFWHEXWTHCF-XLIONFOSSA-N 418.419 3.958 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@H](c3ccccc3F)C[C@H]2C1 253633941 KUJMNMMGYFPINT-ZNMIVQPWSA-N 417.912 3.820 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2cccc3cccnc23)CC[C@H]1F 473235325 WQRIRZONRYDKCT-ALVNHBQLSA-N 420.506 3.831 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 586944850 YRHDKWVVPAGBMP-UHFFFAOYSA-N 418.931 3.861 0 1 HHAF O=[S@@](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(c1ccccc1)c1ccccc1 586960935 RAYUTTITUVISAW-PMERELPUSA-N 414.494 3.577 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3cnc(Cl)[nH]c-3n2)[C@H]1c1ccccc1Cl 587061582 OGUWQHNHBXEZCW-BLLLJJGKSA-N 420.300 3.705 0 1 HHAF O=C(Cc1cn2ccsc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657496 WIURGDLBNKMXAL-UHFFFAOYSA-N 422.416 3.934 0 1 HHAF CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 587731191 KTHNVKOZLZOJAB-APBUJDDRSA-N 407.258 3.872 0 1 HHAF CC(=O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1911579139 JUFVXOVMYMHJAF-UHFFFAOYSA-N 404.526 3.994 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356725970 PCOBWHLXUVIGDB-LGVFNWMJSA-N 420.534 3.885 0 1 HHAF COC(=O)[C@@H]1CCC2=C(CC[C@H](C)[C@]23C[C@@H](c2ccoc2)OC3=O)[C@]1(C)C(=O)OC 2356741789 RFJWUDNEMAPOJK-JSUVOZJFSA-N 416.470 3.743 0 1 HHAF COC(=O)C1=C(CCc2ccccc2)NC(=O)N[C@@H]1c1ccc(Br)cc1 13125905 JJQDFFOUFXJCOY-GOSISDBHSA-N 415.287 3.863 0 3 HHAF O=C(NCCc1ccccc1)c1cnc(N2CCN(Cc3ccccc3)C2=O)s1 205209256 WWKXOLNYCUVNOU-UHFFFAOYSA-N 406.511 3.558 0 3 HHAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049336 NIXOJNSXYSKLMI-VIZZQPHQSA-N 403.885 3.637 0 1 HHAF Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1 4972017 LEVIKZFAOPNUPI-UHFFFAOYSA-N 409.511 3.583 0 3 HHAF Cc1oc(-c2cc(F)ccc2F)nc1CN(Cc1ccccn1)C[C@@H]1CCC(=O)N1 55284136 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CSc1nc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2[nH]1 219545918 LWWBJYKHKNDJHR-UHFFFAOYSA-N 406.533 3.778 0 1 HHAF CCCc1cc(OC)cc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12 43062367 VKQAPUCJGXWHTG-UHFFFAOYSA-N 423.469 3.512 0 1 HHAF CCOCCn1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O 45253872 FRFOVMCWEGGFDM-UHFFFAOYSA-N 404.510 3.837 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F 82209296 MWBKWOSJUUMXGU-YEDIGTBHSA-N 416.537 3.975 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccccc1C 40392109 BPNXVEYIIRHUPM-VQTJNVASSA-N 419.550 3.946 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C 195144033 YNMRJIMLEOQFSB-BTHPGYMESA-N 402.487 3.711 0 1 HHAF Cc1c([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)nnn1-c1ccccc1 142076688 NVMFPCJZNORIFN-WMLDXEAASA-N 407.478 3.520 0 1 HHAF N[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1 142914166 MLPJIYXHHVPOPK-CQSZACIVSA-N 421.455 3.741 0 1 HHAF CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N(Cc1ccco1)C[C@H]1CCCO1 253978796 YUEHBYHERLEJFD-XLIONFOSSA-N 413.497 3.931 0 3 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2cccc(O)c2)cc1 299860408 GPJAJRBERGQWNQ-JTHBVZDNSA-N 419.506 3.568 0 1 HHAF CCOc1n[nH]c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1Br 586979108 GTRHNEBFSVODFZ-UHFFFAOYSA-N 421.480 3.925 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595361 NGWAUABJWUZTAO-REWPJTCUSA-N 422.389 3.567 0 1 HHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587001461 QQDRIUTUYNDNEQ-AWEZNQCLSA-N 424.302 3.934 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 587769010 LXNBTVPJBMDKLM-MPBGBICISA-N 417.278 3.784 0 1 HHAF O=C(O)/C=C/C=C/c1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 587969706 VIQQAFIUZDEJOU-ZPUQHVIOSA-N 403.847 3.671 0 1 HHAF CCn1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587761664 BUVAARMJADTOSP-MGYVYSBSSA-N 407.331 3.658 0 1 HHAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@@]1(C)c2nn(C)cc2CCN1C 963953704 CMJINPOEDXIERP-QFIPXVFZSA-N 412.921 3.964 0 1 HHAF COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1 11954528 ZRJXMBHRSSVINF-GOSISDBHSA-N 412.505 3.712 0 3 HHAF COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)Nc1ccccc1 13681435 OZUYGRMDAUIGGV-NNMXDRDESA-N 421.497 3.598 0 1 HHAF O=C(N[C@@H]1CN(CC2CCCCC2)CCC[C@H]1O)c1ccc(OCC2CC2)cc1 15672168 SWFZWXNYZVHZJL-DHIUTWEWSA-N 400.563 3.611 0 1 HHAF biogenic COc1ccc(-c2cc(C(N)=O)nc3cc(COc4cnc(C)nc4)sc23)cc1 1857574400 ZPTCDLHDLQDUPO-UHFFFAOYSA-N 406.467 3.748 0 1 HHAF CCOC(=O)c1nc(N2CCC[C@@H](C(=O)OCC)C2)c2c3c(sc2n1)CCCC3 752905 QJRQKSZDFYNASM-CYBMUJFWSA-N 417.531 3.526 0 1 HHAF Cc1c(C(=O)N2CCCC2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 4826855 BAHKDDNHZROLNT-UHFFFAOYSA-N 404.532 3.930 0 1 HHAF CCOC(=O)N1CCC(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1 5049568 LMVMRHJUCCVIMQ-UHFFFAOYSA-N 400.500 3.967 0 1 HHAF COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CO)o2)ccc1-c1cnco1 13490396 GNKVINYTSGUOFP-UHFFFAOYSA-N 420.425 3.704 0 1 HHAF O=C1NC[C@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@]1(O)c1ccc(F)cc1)CC2 13982650 BRKOVFUTTJGJEO-PLXFJCCSSA-N 422.544 3.952 0 1 HHAF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(CCCN3CCOCC3)n1-2 27318027 NTGACSYGULBPRP-UHFFFAOYSA-N 421.932 3.537 0 1 HHAF COc1cccc(Nc2c(-c3nc(C)no3)cnc3ccc(S(C)(=O)=O)cc23)c1 40402655 HLCKGKHJAPEHPB-UHFFFAOYSA-N 410.455 3.749 0 1 HHAF COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 40810509 JBZWPSNDQPMIRD-UHFFFAOYSA-N 418.500 3.601 0 1 HHAF O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCn1ccnc1 45497876 ARBSTLGRZNKZRL-UHFFFAOYSA-N 422.444 3.947 0 1 HHAF CCOc1ccc(Nc2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 73222382 FTYMXIQRFORXIM-UHFFFAOYSA-N 420.473 3.622 0 1 HHAF OCCOCCNc1cncc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82068479 TXNPDXSRDAACKZ-UHFFFAOYSA-N 411.302 3.727 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NCC)CC2 88260891 UYCOPOHPGVBBQU-PKTZIBPZSA-N 400.588 3.767 0 1 HHAF CC(=O)N1CCC(c2cccnc2OC2CCN(c3ccc(Cl)cn3)CC2)CC1 96169048 WEPACTWYOOPVDC-UHFFFAOYSA-N 414.937 3.904 0 1 HHAF COC(=O)c1cc2c(OC[C@H](N)Cc3ccccc3)ccc(Br)c2n1C 103224971 LCMSZZVFAGJSKC-CQSZACIVSA-N 417.303 3.676 0 1 HHAF CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@H](c2ccc[nH]2)[C@H]1C(=O)Nc1ccccn1 169724999 LELYHAMBMHVVSC-PZJWPPBQSA-N 414.469 3.530 0 1 HHAF Cc1ccc(CNC(=O)[C@@H](CCCN)Nc2cc(C)nc(Nc3ccccc3)n2)cc1 206774439 IOKGUWZLHKPBKO-OAQYLSRUSA-N 418.545 3.673 0 1 HHAF CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@@H](N)C3)n2)c1 211030536 HRAGREQODMBNFS-HXUWFJFHSA-N 413.529 3.928 0 1 HHAF COc1cc(C[C@H](C)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1OC 213325279 VGUAMWQXVLMWPW-KIUWMYQTSA-N 418.486 3.745 0 1 HHAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(O)(C(F)(F)F)CC4)ncn3)c2c1 225564410 OXWIUVFQBRVZBT-UHFFFAOYSA-N 421.423 3.701 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(Cl)cc3=O)[C@@H]1c1ccc(F)cc1 587326030 ABZFMYORRAQSOG-DENIHFKCSA-N 424.815 3.870 0 1 HHAF CCOC(=O)[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375116 RAZJDLZGMZPTMV-DJPFJPOOSA-N 402.443 3.555 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 587952207 MXLDWIDYSHUVLI-GTPINHCMSA-N 423.579 3.671 0 1 HHAF O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 653711592 USVLMRCMYISJTF-UHFFFAOYSA-N 416.905 3.552 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962719110 YDKHPKAKCHIHJC-VGOFRKELSA-N 400.519 3.781 0 1 HHAF O=C(N[C@H]1C[C@H](O)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772601999 RSNYWHWFBAPIII-HDJSIYSDSA-N 403.360 3.694 0 1 HHAF COc1ccc(CCOC(=O)N(c2ccccc2)[C@@H]2CN3CCC2CC3)cc1OC 1857611288 JEUYGMLCHUFKRY-OAQYLSRUSA-N 410.514 3.984 0 1 HHAF COc1cc(N2CCC([C@@H](O)Cn3ccc(C(F)(F)F)n3)CC2)ccc1Cl 1857620106 PFIZYZZSKHMEMT-HNNXBMFYSA-N 403.832 3.841 0 1 HHAF CCCC(=O)O[C@H]1[C@@H]2[C@H]3CC(C)=CC[C@@H](O)[C@@]4(C)OC[C@@H](C)[C@@H](C[C@H]1C)[C@H]2[C@@H]4O3 2356506350 ASYFQGFROIAMPM-KOZWGIHESA-N 406.563 3.880 0 1 HHAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)NC(C)C)cc1 4617894 RBHQGEWNBVFZRU-UHFFFAOYSA-N 401.850 3.955 0 1 HHAF O=C1COc2ccc([C@@]3(O)c4ccccc4C(=O)N3Cc3ccccc3Cl)cc2N1 59203270 XHIJBRPSFSRZFD-HSZRJFAPSA-N 420.852 3.520 0 1 HHAF Cc1cc2oc(N3CCC(C(=O)N[C@H]4CC[C@](C)(O)CC4)CC3)nc2cc1Cl 101660406 MZIWINCKCKSBFB-GGYDESQDSA-N 405.926 3.816 0 1 HHAF O=C1C[C@H](c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 103155087 IAWRUFRDSYWJEH-LJQANCHMSA-N 418.324 3.616 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CCC[C@H]1N2Cc1ccc(F)cc1 53296236 KBMHZDMOELXKBL-RYGJVYDSSA-N 417.912 3.995 0 1 HHAF Cn1cccc1CCNc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132764 LRFFOZVQCFRNHJ-UHFFFAOYSA-N 424.448 3.559 0 1 HHAF COC(=O)C(C)(C)CCCOc1cccc(OCCCC(C)(C)C(=O)OC)c1N 25978794 NTCSVGYUMGAJMB-UHFFFAOYSA-N 409.523 3.985 0 1 HHAF O=C1NCCc2cc(OCCCN3CCN(c4cccc5sccc45)CC3)ccc21 115095068 FWHZDOJNLKAMIA-UHFFFAOYSA-N 421.566 3.778 0 1 HHAF C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@@H]1C 117691678 JUHDVODXPWTTBZ-JKSUJKDBSA-N 413.481 3.831 0 1 HHAF O=C(Nc1ccccc1)N1CCN(Cc2ccc(I)cc2)CC1 35969372 DNFNTEVZBSLZJO-UHFFFAOYSA-N 421.282 3.641 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c1 195407907 LPRDKGYMPJZAIG-OLGWUGKESA-N 402.425 3.636 0 1 HHAF CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081582 IJMZBZNKOJRCMD-OAHLLOKOSA-N 406.504 3.615 0 1 HHAF CCN(CCn1ccc(-c2ccc(F)cc2)n1)C(=O)c1cc(C)ccc1-n1nccn1 143659400 DQSHYFFCNKDPDI-UHFFFAOYSA-N 418.476 3.741 0 1 HHAF Cc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c1 96282777 GGXYETSGDNISQX-UHFFFAOYSA-N 405.479 3.634 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(N4CCCC4)c31)[C@@H]1CC[C@H](C2)N1 96175336 OFSIIVMOOSZYDQ-UZLBHIALSA-N 421.566 3.961 0 1 HHAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@H]3[C@H]1C5 253633322 KNIGTFRSJKNFFO-VFSFUJHFSA-N 403.522 3.689 0 1 HHAF Cc1noc(C[C@H]2CC[C@H](c3ccc([C@H]4COc5ncnc(N)c5O4)cc3)CC2)n1 261132128 LJSFOJRCMJHCMD-IIDMSEBBSA-N 407.474 3.779 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 261176306 UXQLDMRJUFRORS-LJQANCHMSA-N 402.458 3.838 0 1 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@H]3N2C)o1 263591780 FRAXAVQCOUNARD-WTNAPCKOSA-N 400.482 3.782 0 3 HHAF COc1ccc(OC)c([C@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c1 618007222 ZWHSJPGKOAICLN-LCPUNJGISA-N 406.442 3.977 0 1 HHAF CC[C@@H](c1nnnn1-c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 653790199 OSFYKWKNFVCMKM-SFHVURJKSA-N 405.531 3.545 0 1 HHAF O=C1C[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CO1 587618983 VWKKQBBOVXBSLU-SWDVRCMSSA-N 402.402 3.812 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 587714917 GMGYZOYREWCJIC-RBHXEPJQSA-N 400.194 3.729 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc3c(c2[nH]1)CCCC3 587128064 IOCLTJWZMYOXBC-UHFFFAOYSA-N 415.419 3.866 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587769961 PBLFVEJKGYCSAS-PRWKNARSSA-N 417.278 3.784 0 1 HHAF COC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587590794 ASBHYRUDZYTMCE-ZJSXRUAMSA-N 420.417 3.821 0 1 HHAF Nc1ncnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 587153627 VUPADGCNYJVKLX-UHFFFAOYSA-N 418.461 3.614 0 1 HHAF COc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1F 586943087 OADUWBGMVWLDCZ-UHFFFAOYSA-N 418.277 3.538 0 1 HHAF COc1cc(-c2nnc(SC)n2-c2ccc(N(C)C)cc2)cc(OC)c1OC 1772577635 NZPKNDZVQBHTHA-UHFFFAOYSA-N 400.504 3.748 0 1 HHAF c1cc(-c2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)n[nH]1 1772589588 YZJFWAWKNOUEIF-UHFFFAOYSA-N 404.522 3.986 0 1 HHAF CCCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201107477 IWKFZYREVQHDQC-ZIYZLLSTSA-N 412.574 3.872 0 1 HHAF Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccnn2C)cc1 1857611160 JPPKKFQSQYJQRN-RTBURBONSA-N 405.502 3.757 0 1 HHAF CCc1cc(Cc2ccc(CC(=O)NCCO)cc2)nc(-c2cccc(Cl)c2)n1 143549617 NIRWNBPXDXMYJK-UHFFFAOYSA-N 409.917 3.601 0 1 HHAF CCCN(CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1COc2ccccc2O1 1657784 HYBSMLDPHQVNJG-SFHVURJKSA-N 408.498 3.615 0 1 HHAF COc1ccc(N2CC=C(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1 3987180 QXOYAOAGWAQJLS-UHFFFAOYSA-N 422.525 3.999 0 1 HHAF Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 12455210 FPMYYRBOOJSXAS-DHIUTWEWSA-N 424.541 3.689 0 1 HHAF O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1C(=O)C(F)(F)F 13737565 SOQYSZMXQLDQMT-DOTOQJQBSA-N 405.401 3.951 0 1 HHAF O=C(N1CCCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(Cl)c21 13745313 NUJISJJHKHRQLP-UHFFFAOYSA-N 410.865 3.989 0 1 HHAF COc1ccccc1N1CCN(CCCCCN2CCc3ccccc3C2=O)CC1 40918765 NQKMYRGFSYIPHF-UHFFFAOYSA-N 407.558 3.686 0 1 HHAF CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(CCOCc3ccccc3)c21 42890523 VDJVDNBZUVWWMK-UHFFFAOYSA-N 416.836 3.939 0 1 HHAF COC(=O)c1c(O)cccc1OCCn1ccc2ccc(-c3cc(C(=O)O)no3)cc21 43075808 UDOBPBLYYZTRPA-UHFFFAOYSA-N 422.393 3.566 0 1 HHAF COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N(C)Cc3ccccc3)n2)cc1 82067147 DZNYBDORFROOCW-FQEVSTJZSA-N 421.501 3.900 0 1 HHAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1CCCN1CCCC1=O 82180058 MWKYIXOBGSANJD-UHFFFAOYSA-N 420.561 3.836 0 1 HHAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCCN1CCCC1=O 82180488 ZPAZJDUGUKRFFR-UHFFFAOYSA-N 406.534 3.712 0 1 HHAF O=C(Nc1cccc(Nc2nc(-c3ccc(F)nc3)c3nc[nH]c3n2)c1)N1CCCC1 84635940 LXMNKRMLKQOENJ-UHFFFAOYSA-N 418.436 3.925 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCC1)CC2 88261018 SLCSSVAVCXUAJF-DNQXCXABSA-N 412.599 3.863 0 1 HHAF COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)n2)c1OC 95594916 KEKAMKGLDCNNBK-UHFFFAOYSA-N 409.442 3.803 0 1 HHAF C=Cc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 96284508 UFOKSVRATXOQOA-UHFFFAOYSA-N 406.486 3.625 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H](C(=O)OCCC(C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 101168217 YNMRJIMLEOQFSB-RNQOJCNYSA-N 402.487 3.711 0 1 HHAF Cc1c(C2CN(C(=O)/C=C/c3cnc4c(c3)NCCC(=O)N4)C2)oc2ccccc12 299828384 JGFSOQHMDLGCAF-VOTSOKGWSA-N 402.454 3.530 0 1 HHAF Cc1cc2nc([C@@H](C)CNC(=O)c3ccc(-n4cnnc4)cc3Cl)[nH]c2cc1C 299856642 CZVRMHBIRRAKPP-AWEZNQCLSA-N 408.893 3.947 0 1 HHAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(N)ncnc4[nH]3)c(=O)oc2c1C 586918219 LWNANVQMERMRTA-UHFFFAOYSA-N 405.458 3.594 0 1 HHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 587068736 CMTPVCKRKLUCKM-JTQLQIEISA-N 412.662 3.501 0 1 HHAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587236343 UZZMLSTYXTYNTO-UONOGXRCSA-N 402.376 3.684 0 1 HHAF O=C1c2ccc(O)cc2OC2(CCC(N3CCOCC3)CC2)[C@@H]1c1ccc(F)cc1 587340342 SHLIFCYRGFGKQJ-NBTXJNEHSA-N 411.473 3.904 0 1 HHAF O=C1c2ccc(O)cc2OC2(CCN(c3ncccn3)CC2)[C@@H]1c1ccc(F)cc1 587344320 NJFATKZADFLJRL-HXUWFJFHSA-N 405.429 3.719 0 1 HHAF Cc1nc2ccccc2nc1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974765 LKXRSFGEIVRNNF-MGPUTAFESA-N 403.816 3.732 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccccc1OCC(=O)N1CCOCC1 963240567 KSHIDCZNHWFYJF-DFBJGRDBSA-N 408.542 3.670 0 1 HHAF CCCC[C@H](NC(=O)C(=O)CCCCc1ccc(OC)cc1)C(=O)OC(C)(C)C 1772618343 JJLFZUDJEHUWNU-IBGZPJMESA-N 405.535 3.994 0 1 HHAF COc1ccc(-c2cc3c(cn2)nc(O)n3-c2cc(OC)c(OC)c(OC)c2)cc1 1857602498 XGYGPLIJNGOLKU-UHFFFAOYSA-N 407.426 3.828 0 1 HHAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccc5cc[nH]c45)c(=O)n1c23 1857610282 MCYBWLNAGWPZGI-LBPRGKRZSA-N 405.429 3.765 0 1 HHAF O=C(/C(=C/c1ccc(F)cc1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 1857647081 DBGCJIHNWHPSFF-LTGZKZEYSA-N 406.436 3.644 0 1 HHAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 2356322375 XIPBNDPMMNUVEJ-YTFSRNRJSA-N 417.638 3.702 0 1 HHAF COc1ccccc1CN1C[C@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 2356383875 BICBOEVGHMBWCI-IRLDBZIGSA-N 415.493 3.659 0 1 HHAF COc1ccc(-c2csc(N[C@H](CO)c3nc4ccccc4n3CCCO)n2)cc1 12507233 PPXYLFFNYBPWRN-GOSISDBHSA-N 424.526 3.696 0 3 HHAF C[C@@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 13759378 BQJGXJBNCVRJQI-INIZCTEOSA-N 418.632 3.899 0 1 HHAF CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 20508500 LJARMFOYLFEMAY-FCHUYYIVSA-N 423.582 3.745 0 1 HHAF CC[C@H](C)[C@H](NC(=O)c1cnc2ccccc2c1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC 26271622 AVAFTNXAWHSWFA-REIYTJMXSA-N 413.562 3.539 0 1 HHAF C[C@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(Br)cc1 28522023 GWACVPMFAVTUHD-LLVKDONJSA-N 419.300 3.847 0 1 HHAF Nc1nc(N)c2c(n1)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1S2(=O)=O 40899402 YJAQUCLZAOJRRL-UHFFFAOYSA-N 408.270 3.564 0 1 HHAF CC(C)(C)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[nH]2)cc1 40918434 SDLDBOWHHGVIPE-UHFFFAOYSA-N 401.478 3.705 0 1 HHAF COc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 72120545 KLDVBUSQZRJHLA-FDFHNCONSA-N 410.543 3.775 0 1 HHAF c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N[C@H]3C[C@@H]4CC[C@@H]3C4)c2[nH]1 101046843 TYCRGJHWMDJLCO-RKVPGOIHSA-N 405.506 3.534 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnc(N)cc3cc2OC)c1F 210465744 HILKHCSSTCIPDV-UHFFFAOYSA-N 407.442 3.923 0 1 HHAF O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 299822232 NKHFTYKTKASZGC-JOCHJYFZSA-N 407.832 3.687 0 1 HHAF COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OC[C@H]1CN(C)CCO1 299832121 RUICWPMDGNHGGQ-MRXNPFEDSA-N 414.893 3.745 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587043678 TYXUKUNVMQMGRL-MRVPVSSYSA-N 403.733 3.994 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCOCC2)c1 587597507 VJTJRLJNVHPHAI-QPPBQGQZSA-N 403.434 3.932 0 1 HHAF O=C(c1ccc2c(c1)OCCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655654 CQNODXVWNDNNPJ-UHFFFAOYSA-N 420.371 3.801 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C2CCOCC2)N1 587755111 OESPBSBMEDQMLF-BUXKBTBVSA-N 408.315 3.526 0 1 HHAF CC(=O)N(C)[C@H](C)[C@]1(c2ccc3c(c2)OCO3)c2ccc(F)cc2C[C@@H]2CCCN21 963092478 KSFFCAXDHQFVQL-VNOPPTIDSA-N 410.489 3.685 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCc1ccncc1)CC3 1772579541 ZWAJJLJIEMLOAL-SFHVURJKSA-N 402.523 3.548 0 1 HHAF CN(C)S(=O)(=O)c1ccc(CCCC(=O)N2CCC(c3ccccc3)CC2)cc1 1857543606 SJUUVYJMKGPDDG-UHFFFAOYSA-N 414.571 3.666 0 1 HHAF Cc1ccc(S[C@@H]2C[C@@H](c3ccc(C)cc3)N(S(C)(=O)=O)C[C@H]2C(=O)O)cc1 1857579816 SDZDJIIOAGTBLX-HSALFYBXSA-N 419.568 3.872 0 1 HHAF NCc1cc(OCc2cccc(C(=O)NCc3cc4ccccc4s3)c2)ncn1 1857607323 VPSDFCSZZTXGEV-UHFFFAOYSA-N 404.495 3.659 0 1 HHAF CC1=CC[C@@H]2C(C(C)C)=CC(=O)O[C@]2(C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@H]1O[C@]3(C)O 2356534198 YFSGXEZLCNEFQI-RTOWIPHHSA-N 416.514 3.801 0 1 HHAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@H](Cc3nc4cccc(OC)c4[nH]3)C2)cc1 2356685966 MXSGRVGLKBRYTN-QZTJIDSGSA-N 423.513 3.736 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 768705 MUTRDVINOMMGIJ-FPOVZHCZSA-N 414.889 3.689 0 1 HHAF O=C(NC1CCC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 59114793 QEQQBHZIYAODLH-UHFFFAOYSA-N 417.553 3.730 0 1 HHAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccccc2O)c1 29038784 HILJIBXTDYFDFX-UHFFFAOYSA-N 404.538 3.959 0 1 HHAF CC(=O)Nc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 2356669442 BTFQJFZPYGOKLE-DENIHFKCSA-N 410.493 3.877 0 1 HHAF COc1cc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc(OC)c1OC 72185095 ZTMUVHLMYMWQSI-UHFFFAOYSA-N 409.486 3.690 0 1 HHAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(F)cc2)C1 82214986 CZVYNRAXIUEKAE-JKSUJKDBSA-N 400.498 3.992 0 1 HHAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CCCN1CCCC1=O 82180991 MATRMWNLCLRJCG-UHFFFAOYSA-N 424.524 3.585 0 1 HHAF CS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 49068166 PDHAKQLCRAEXKE-UHFFFAOYSA-N 416.934 3.931 0 1 HHAF O=C1Nc2cccc(F)c2[C@@H]1Cc1cccc(C[C@H]2C(=O)Nc3cccc(F)c32)n1 49115951 VZOSPYPPZDALSI-GASCZTMLSA-N 405.404 3.917 0 1 HHAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2ncccn2)cc1Cl 95556451 MKVFCBDKNSJPPZ-HNNXBMFYSA-N 407.923 3.836 0 1 HHAF CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)CC[C@@H]12 95604731 VLUSLHNYJYPIJY-ULZMGMGRSA-N 418.574 3.560 0 1 HHAF O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95794811 LNSPIUBOGIZHGZ-MOPGFXCFSA-N 410.480 3.560 0 1 HHAF CN1O[C@@]2(N=C1N)c1cc(C#CC3CC3)ccc1CC21CCC(OC(F)F)CC1 141068945 JMJNGNODBHWNRG-IVXJCAOYSA-N 401.457 3.517 0 1 HHAF Cc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)c(Cl)c1 299839801 ZIDUDLWDYZRQPE-UHFFFAOYSA-N 422.872 3.634 0 1 HHAF Cc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(C)cc3)C23C(=O)N(C)C(=O)N(C)C3=O)cc1 473248559 OQYGBSNLJWDVIC-OYRHEFFESA-N 418.493 3.571 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C 299887011 YEBWVORVAAIZRK-ZUTQQWLRSA-N 404.595 3.926 0 1 HHAF CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060811 GIJFTYDBNPWZIZ-ACJLOTCBSA-N 419.890 3.540 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587716775 DWPOHIGGGBFCJV-XLFHBGCDSA-N 416.241 3.589 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)C[C@@H]1F)[C@@H](C2)C3=O 587426675 FBGXERIQKBHPSS-LTMIRXACSA-N 411.429 3.562 0 1 HHAF CS(=O)(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587018356 WMNINEYQWNIQAJ-UHFFFAOYSA-N 421.507 4.382 0 1 HHAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582325 ZQOZILOGEOMRRE-QGENPCKLSA-N 407.466 3.794 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(O)c(C(=O)O)cc21 587488106 HJKTUVCGGFLACX-HSZRJFAPSA-N 411.454 3.977 0 1 HHAF COc1cc(OC)cc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 587923938 TYOKRFVBUNWKNF-UHFFFAOYSA-N 404.513 3.890 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)cc(Br)cc21 587372182 OGUYFUHPLSIUKZ-QGZVFWFLSA-N 407.651 3.806 0 1 HHAF Cc1ccc(S(=O)(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606348 HGZJAIRKMIGCNX-NZQKXSOJSA-N 424.474 3.895 0 1 HHAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCc3cc4c(cc32)OCC4)N1 962697079 KVIWNCWOSUOZLV-YLJYHZDGSA-N 407.363 3.568 0 1 HHAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2cc(Br)ccc2CC1(C)C 963490487 KFSVHDUUSSLPIJ-HRAATJIYSA-N 416.315 3.888 0 1 HHAF COc1cc2c(cc1OC)[C@H](c1ccc(I)o1)N(C)[C@@H](C)C2 962640574 WWAWHLFEYJBAGM-DYZYQPBXSA-N 413.255 3.867 0 1 HHAF Oc1ncc([C@@H]2CCC[C@]3(C2)c2cccc(F)c2CCN3[C@@H]2CCSC2)c(O)n1 962711828 PYKNFKPJZZGEAN-HLFMIMNKSA-N 415.534 3.944 0 1 HHAF COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 13804985 GILJGEAXQQAZHB-UHFFFAOYSA-N 424.332 3.814 0 1 HHAF Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCF)cc21 1857575938 VJFFWHLKYLRUSN-UHFFFAOYSA-N 403.457 3.557 0 1 HHAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(O)(c4ccccc4)CC3)c2)cc1 1857752936 OQOIXRCHXMMUEH-UHFFFAOYSA-N 416.477 3.702 0 1 HHAF COC(=O)N(CC(=O)O)C(=O)c1c(Cl)ccc2c(C(F)(F)F)c(OC)ccc12 3791662 NFWWYOOKDKKRNX-UHFFFAOYSA-N 419.739 3.814 0 1 HHAF CC(=O)c1ccc(C(=O)NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1 13734744 UPQVPSARFIBAQQ-UHFFFAOYSA-N 423.582 3.796 0 1 HHAF CCC1(CC)C(=O)N([C@@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@H]1Oc1ccccc1 28461019 SBIYWMDMAPVVNJ-CTNGQTDRSA-N 408.454 3.545 0 1 HHAF Cc1nccn1Cc1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1 28520544 KCJNIMWWROPSRO-UHFFFAOYSA-N 407.539 3.925 0 1 HHAF Cc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 28523292 SLDZZPIBQBYWGZ-FGZHOGPDSA-N 402.494 3.732 0 1 HHAF CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N 28966153 ZUJSUIUCXPKMMG-UHFFFAOYSA-N 414.312 3.579 0 1 HHAF COc1ccc(CCN(C)CCCN2CCc3cc(C)c(C)cc3CC2=O)cc1OC 29319087 UDXAFRHQDXGBRZ-UHFFFAOYSA-N 424.585 3.812 0 1 HHAF Nc1c(-c2ccc(NC(=O)c3ccccc3)cc2)cnc2c(Br)cnn12 40379096 BABGZNRUCJIMKF-UHFFFAOYSA-N 408.259 3.993 0 1 HHAF CC(C)Cc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 40896131 VLDFXPBBHFPRKL-UHFFFAOYSA-N 406.523 3.645 0 1 HHAF CCSCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc21 45367004 JDIAXERATRVDAY-UHFFFAOYSA-N 420.538 3.993 0 1 HHAF CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1F 72116773 WBYHTVFUIJNCEK-QGZVFWFLSA-N 420.550 3.648 0 1 HHAF CC(C)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O 82179695 HLSBGJJNMLWUHR-UHFFFAOYSA-N 424.524 3.756 0 1 HHAF O=C1c2ccccc2C(=O)N1C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccccc1 95872177 GFNMXLTYDBAUDJ-HSZRJFAPSA-N 410.473 3.651 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(OCCN(C)C)cc1 96932199 AKKATVMDHBEASX-ISKFKSNPSA-N 407.514 3.506 0 1 HHAF COc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633459 MYAKLRIXBOSQBL-CRAIPNDOSA-N 421.522 3.728 0 1 HHAF Cn1c(=N)n(CC(=O)OCc2ccc(OCc3ccccc3)cc2)c2ccccc21 101727345 JAGXZTWQLJGQMJ-UHFFFAOYSA-N 401.466 3.782 0 1 HHAF N[C@H]1CCCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)C1 150156167 HWIDISMNBLRQNP-AWEZNQCLSA-N 406.440 3.893 0 1 HHAF in-vitro CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncccc3Cl)c2)c2cncnc21 169708011 QSTVGZWDGBCPCY-UHFFFAOYSA-N 420.860 3.939 0 1 HHAF CC1CCC(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 216246814 AKYZVXSRYSGZLL-UHFFFAOYSA-N 424.538 3.589 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cn5c(C)cccc5n4)ncc23)ccn1 219760892 WVMDPWAHAQCUMQ-UHFFFAOYSA-N 412.457 3.606 0 1 HHAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](C(C)C)C1 253677504 JOCGWOQFKXCOGL-PVYVPZCISA-N 413.650 3.991 0 1 HHAF COC(=O)CN1C(=O)C2(CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)c2ccccc21 261102724 GSLPZHCOJZRJIT-SLFFLAALSA-N 410.558 3.899 0 1 HHAF Cn1nc(-c2nc3c(O)nccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587131124 YRIJRVMTZVVGIN-UHFFFAOYSA-N 408.368 3.881 0 1 HHAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(=N)N)cc4[nH]3)cc2)cc1F 587147831 SKPWELKTBYJCGC-UHFFFAOYSA-N 415.472 3.994 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(-c3ncc(Br)cc3F)nc-2[nH]1 587157893 OTLCADOIMWJRMT-UHFFFAOYSA-N 415.226 3.586 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2cc(F)c(F)cc2[nH]1 587178416 BFLAIVRUXDXZQE-UHFFFAOYSA-N 401.154 3.704 0 1 HHAF CN1CCN(c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)CC1 587205340 PQVUVSXJSLUBIH-LJQANCHMSA-N 415.582 3.797 0 1 HHAF COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 587241086 YZHMKHMLBQZLHR-CFTTWAEZSA-N 402.495 3.522 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587241380 BQISIAKLTJQVIS-UHFFFAOYSA-N 414.531 3.855 0 1 HHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 587247429 RSJWEVWBGLSRDH-KRWDZBQOSA-N 412.362 3.964 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 587387316 ORPWMXFWQWJNQR-OXQOHEQNSA-N 418.534 3.869 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O 587422880 GHOAGFNTTJHQAR-IMLBLNNDSA-N 423.456 3.950 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4cccc(O)c4C(=O)c4c(O)cc(C)cc41)[C@@H](C2)C3=O 587451926 SDUCDKURUHUDSC-IVCQMTBJSA-N 414.413 3.650 0 1 HHAF COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636935 QAFXYCWIVNSZDW-UHFFFAOYSA-N 402.200 3.651 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cn2)N1 587684792 PNBWGJFVEOVUSR-CPFSXVBKSA-N 401.077 3.764 0 1 HHAF Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 587837556 IOPMHOWGMXZDSZ-WQRJOSILSA-N 418.262 3.890 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(CC(=O)C(F)(F)Br)N(C)[C@@H](C)C2 962622247 BJBFTTNJYMIOKF-MGPLVRAMSA-N 406.267 3.742 0 1 HHAF CCOC(=O)[C@H]1Cc2ncccc2[C@@]12c1ccsc1CCN2Cc1cccnc1 963000698 WRERTMCTOJKPCK-AUSIDOKSSA-N 405.523 3.575 0 1 HHAF O=S(=O)(Nc1cc2c(O)nccc2cc1F)c1ccc(-c2ccc(O)nc2)s1 1772598288 CWNLRGUYUZYYIR-UHFFFAOYSA-N 417.443 3.709 0 1 HHAF Nc1ncnc2c1c(-c1cc(F)c3c(c1)NCCO3)nn2[C@@H]1CCc2ccccc2C1 1772611196 IVESWVATAVBZHV-MRXNPFEDSA-N 416.460 3.749 0 1 HHAF COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C 1857563928 AJYXSDPXDGQHDZ-DEOSSOPVSA-N 418.537 3.795 0 1 HHAF CCCCCCN1C=N[C@H]2C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)=N[C@@H]21 1857579622 XYDJQJXDLKLRSN-DNQXCXABSA-N 418.541 3.955 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](Sc3ccccc3)[C@H](C(=O)O)CN2S(C)(=O)=O)cc1 1857613791 XBVUXALGVOTZEA-CEXWTWQISA-N 405.541 3.563 0 1 HHAF CC(C)NC(=O)N1CCc2nc(=NCc3cccc(Oc4ccccc4)c3)[nH]cc2C1 1857617549 CWEWLIPIRKVMAS-UHFFFAOYSA-N 417.513 3.779 0 1 HHAF C[C@@H](NC(=O)c1nc(-c2cc(C(F)(F)F)ccn2)nc(O)c1O)C1CCCCC1 1911572807 SUJOGBKIZQSQCL-SNVBAGLBSA-N 410.396 3.667 0 1 HHAF CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 1340023 QOYWBWOYXSIYJP-UHFFFAOYSA-N 423.538 3.775 0 3 HHAF Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)Nc1ccc(CN3CCC(C)CC3)cc1)O2 5069970 SAHXLFGVZXNYGA-QFIPXVFZSA-N 407.514 3.955 0 3 HHAF CSc1ccccc1OCc1cc(C(=O)N(C)CCn2nc(C)cc2C)no1 12704947 NCCDALDJIHDGGN-UHFFFAOYSA-N 400.504 3.561 0 3 HHAF CCOc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)ccc1OC 769242 CQZGAVSGXQGNIC-JOCHJYFZSA-N 416.905 3.847 0 1 HHAF COc1ccc2cc3cc(C(=O)Nc4ccccc4N4CCN(C)CC4)oc3nc2c1 4057456 ZEIZWYDBHITCPR-UHFFFAOYSA-N 416.481 3.994 0 3 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 4310693 RQSRUKINBFTQMS-SFTDATJTSA-N 404.507 3.577 0 1 HHAF O=S(=O)(NC[C@H](O)CN1CCC[C@H]1C1CCCCC1)c1cccc2ccccc12 28891921 ROFWNJGKUBGGMG-UNMCSNQZSA-N 416.587 3.524 0 1 HHAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(C(C)(C)O)(C4)C3)C1 101371158 ZCQXBBVNHQBPQI-IJSMYYHTSA-N 422.566 3.688 0 1 HHAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NC[C@H]5CCCCO5)[nH]c4C)ccc3[nH]2)n1 115833850 BOCJJCQBJHJSJO-MRXNPFEDSA-N 420.473 3.524 0 1 HHAF CO[C@H]1C[C@@H](N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC 26738312 SWMDYKINDINJFM-IVAOSVALSA-N 416.587 3.559 0 1 HHAF COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c(F)c2)c1 66080105 XCYPPUAPQPUXSG-HUUCEWRRSA-N 420.506 3.753 0 1 HHAF CC(C)n1cc(-c2cc(-c3cc(Cl)cc(CN4CCOCC4)c3)cnc2N)nn1 142824021 QIGUHUUEEYBKHE-UHFFFAOYSA-N 412.925 3.656 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3cnccc3n2)n1 143412123 UDFNATVZOGNEMV-HXUWFJFHSA-N 415.453 3.812 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(-n5cccn5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175376 CMTQVGTYQKSHIY-QRWLVFNGSA-N 418.522 3.546 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355260 UBVIFFWLISDNJR-HJOCRKTISA-N 424.424 3.719 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cnc2[nH]1)C(F)(F)F 587093332 SNKNNGHJNMZIMC-OAHLLOKOSA-N 415.213 3.884 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797039 VFZSOTNOWZEILP-RRUGBERISA-N 402.304 3.553 0 1 HHAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587246606 CZWSVOXLZDOTNI-UHFFFAOYSA-N 408.483 3.625 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(NC(=O)C3CC3)cc1)O2 587390656 PKWDDZVEXXXDAM-QHCPKHFHSA-N 407.470 3.678 0 1 HHAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 587623290 PFCNMLANNIVEBN-ORIJTRDWSA-N 415.291 3.797 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccccc3c2=O)N1 587746781 NZRCVUWUVMCSRF-VVVCHXIZSA-N 403.251 3.900 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(=O)O 587597762 WCKBOFMTONFUFC-NZQKXSOJSA-N 422.389 3.567 0 1 HHAF CCOC(=O)[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590051 WUEINILCJQDISI-MBSDFSHPSA-N 405.406 3.516 0 1 HHAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cnc(O)c3ccccc23)N1 962647100 XTZJFERKLQEILA-IAGOWNOFSA-N 404.344 3.527 0 1 HHAF COc1cc(F)cc(OC)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702904 SXQBYDBLUNPJGU-CXAGYDPISA-N 417.330 3.689 0 1 HHAF Nc1nc2cc([C@@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)ccc2o1 962923119 MJIIOMUBXXZZCL-FPOVZHCZSA-N 417.421 3.596 0 1 HHAF CCOC(=O)Nc1snc(C)c1[C@@]1(C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963643189 ZKZITYJVRCLDCV-PRWKNARSSA-N 405.520 3.835 0 1 HHAF CCOC(=O)[C@@H]1c2c(C3=CCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc2N1C 1772641280 LNZZZORWIXALKJ-NRFANRHFSA-N 406.461 3.800 0 1 HHAF CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1C)OCO3 17255465 OMMBEWHNDYJBLZ-YZCBWUASSA-N 415.486 3.966 0 3 HHAF Cc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1 169708339 ZAZKOYPCZNZCED-UHFFFAOYSA-N 409.493 3.817 0 1 HHAF O=C(NCCc1ccccc1Cl)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167608933 WGRZTONXPSDOOY-UHFFFAOYSA-N 421.928 3.865 0 1 HHAF O=c1cc(N2CCOCC2)oc2cc(OCCOc3ccc(Cl)cc3)ccc12 13677041 PPNXLGVCSYWCSZ-UHFFFAOYSA-N 401.846 3.741 0 1 HHAF COc1cccc(/C=C2\C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)c1 13704217 KVUARDUOUUZNQW-VULPMGHGSA-N 404.503 3.618 0 1 HHAF NCc1nc(CN2CCN(C(=O)c3cccc4ccccc34)Cc3ccccc32)c[nH]1 13803037 YQLBBXJKCBUELQ-UHFFFAOYSA-N 411.509 3.684 0 1 HHAF COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCF 22873577 MVCJODPOPMQGIU-UHFFFAOYSA-N 400.538 3.836 0 1 HHAF O=C(NCCc1c(Br)[nH]c2cc(Br)ccc12)C(F)(F)F 29328632 GGXPMTQLICSTLO-UHFFFAOYSA-N 414.019 3.914 0 1 HHAF CC1(C)c2[nH]c3ccc(Cl)c(Cl)c3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]13 40847253 XKZBVZRTHAQLLS-UBWHGVKJSA-N 418.324 3.558 0 1 HHAF CCCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccco1 82216470 OEURRFRGLCAECO-UHFFFAOYSA-N 410.474 3.896 0 1 HHAF O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CC1(O)CCCCC1 95555907 SNOPLGXJLDVRKA-UHFFFAOYSA-N 400.482 3.920 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(C)CC1 95864767 DVXPGYNQMPOGRG-QFIPXVFZSA-N 423.532 3.828 0 1 HHAF C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1nc(=O)c2cnc(-c3ccc(F)cc3F)n2[nH]1 205434011 WJWMVEDBYNDNIU-KSSFIOAISA-N 421.451 3.598 0 1 HHAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 209509866 OCQWBUIMDQDJBG-CQSZACIVSA-N 422.319 3.592 0 1 HHAF Cc1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c(C)n1 587170230 PHUMOCXKDDCISZ-HXUWFJFHSA-N 410.474 3.782 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccncc4)c(OC)c1)[C@@H](C2)C3=O 587436961 VDDNDIDOXZWMFN-GAJHUEQPSA-N 417.417 3.807 0 1 HHAF O=C(O)C1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587613054 XJRSMVZUXFWPIG-WMZHIEFXSA-N 402.358 3.610 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807225 KDSXGSGSGPYBGW-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF CO[C@H](C)COC1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 587952235 NFQBSFQOJLOTEG-ODIFPOPNSA-N 411.506 3.700 0 1 HHAF COc1cc2c(cc1OC)[C@@](C(=O)OC(C)(C)C)(C1=COCCC1)N(C)[C@@H](C)C2 962617019 BPCWRTIRDKUGLZ-NPMXOYFQSA-N 403.519 3.812 0 1 HHAF CC(C)[C@@]1(Cc2cccnc2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963135535 DVKXUEZLQZHPNN-IERDGZPVSA-N 417.531 3.879 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@]12[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 963229536 NRNLJRLYOHPJQP-BSXQOCJYSA-N 417.546 3.566 0 1 HHAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3noc(-c4ccccc4)n3)n2)cc1 1857546686 ZFQAKLNTCBPIMT-UHFFFAOYSA-N 421.482 3.625 0 1 HHAF CC(C)S(=O)(=O)c1cc(C(C)(C)C)cc(S(=O)(=O)c2ccc(CN)s2)c1 1857560527 CPPRLQCSUVFPST-UHFFFAOYSA-N 415.602 3.519 0 1 HHAF CC(C=C[C@H](O)CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@@H](C)[C@H](O)C(C)=CC(C)C 2356350598 GADFOYPOADGIMS-MOUTVQLLSA-N 419.606 3.839 0 1 HHAF CC(=O)C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@@H](C=C=CBr)O[C@@H]21 2356442821 RCEIRMABDXAXPX-QLTAWUHGSA-N 404.098 3.828 0 1 HHAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOCCO 4213592 MKYUOGLKJFECEB-XZOQPEGZSA-N 412.530 3.979 0 1 HHAF Cc1[nH]n(-c2ccc(Cl)cc2)c2nc(=O)c(CNCc3ccc4c(c3)OCO4)cc1-2 100553606 ZROVADDNWVHJJC-UHFFFAOYSA-N 422.872 3.646 0 3 HHAF CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 63539719 LPILBMJJRGTKOQ-UHFFFAOYSA-N 413.913 3.716 0 1 HHAF CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1Cl 27987407 RVBDWZKWSXQLMF-DOTOQJQBSA-N 401.938 3.888 0 1 HHAF CN1CCN(C(=O)CN[C@H]2C[C@H]2c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC1 118679836 QNOUGTCNBFZHFV-SFTDATJTSA-N 418.368 3.880 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(C/C=C/c2ccccc2)CC[C@]314 29322797 SVFOKPBWCQSVPM-SPDJVTGCSA-N 401.506 3.673 0 1 HHAF COc1cccc(C[S@@](=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)c1 29123324 ZNQDHGWUUZGWDQ-NDEPHWFRSA-N 420.512 3.547 0 1 HHAF COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Br)c3O)oc2c1OC 593380 PRRZKYZEPCKTFD-UHFFFAOYSA-N 423.215 3.660 0 1 HHAF biogenic CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 72124403 CANYKTYLSGWIPY-SJORKVTESA-N 406.486 3.898 0 1 HHAF COc1cc(-c2coc3c(OC)c(OC)c(OC)cc3c2=O)cc(OC)c1OC 14437461 OOEIHSIXXSHLPL-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF biogenic COc1ccccc1-c1ncc(O)c2cc(S(=O)(=O)Nc3nccs3)ccc12 225049897 QWNRMRKMVAEBAF-UHFFFAOYSA-N 413.480 3.873 0 1 HHAF COc1cccc([C@@]2(O)c3ccccc3Oc3cc(C(=O)N4CCOCC4)ccc32)c1 45358065 ANRKLEUZSJDITF-RUZDIDTESA-N 417.461 3.558 0 1 HHAF COC(=O)CC/C=C/[C@@H](O)C/C=C/C=C/C=C/CC/C=C/C=C/[C@@H](O)[C@@H](C)CO 84655060 TUNKITZONCPWBB-XRSCQFEHSA-N 404.547 3.797 0 1 HHAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@@H]1CC(=O)N1CCCCC1 43076101 OAQRTYPSBVKMCX-FQEVSTJZSA-N 420.509 3.966 0 1 HHAF CN1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1 84712822 BRZAMYHFZBUAQG-UHFFFAOYSA-N 420.538 3.749 0 1 HHAF O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1 149893822 RIGJHOCYIDQNRK-LJQANCHMSA-N 400.841 3.578 0 1 HHAF COc1cc(C[C@H](C)[C@@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 238775237 CYZCXBPLKCLBKE-QWHCGFSZSA-N 404.459 3.830 0 1 HHAF COc1nc2ccccc2cc1CN(Cc1ccccc1)C[C@@H](O)CN1CCCC1 96939090 IQIUTLIDTVGTFC-QHCPKHFHSA-N 405.542 3.702 0 1 HHAF NC(=O)c1ccc2c(c1)OCCc1cc(-c3ncnn3-c3ccc(F)cc3F)sc1-2 95584176 UIQRHODPZSKEAJ-UHFFFAOYSA-N 424.432 3.975 0 1 HHAF COc1cccc(-c2cccc([C@@]3(C4CCN(C(C)=O)CC4)N=C(C)C(N)=N3)c2)c1 95579778 YPIBLSYFISDICP-DEOSSOPVSA-N 404.514 3.605 0 1 HHAF O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 261109981 HXYSMCBOTNAHBN-QGGXVJLZSA-N 400.429 3.542 0 1 HHAF C[C@H](Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587593308 IRMPXRIIDARPRZ-NCNFXNTHSA-N 406.390 3.947 0 1 HHAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3(O)CCOCC3)[nH]c12 586913509 MGLPUEFGPUMUQL-UHFFFAOYSA-N 405.376 3.832 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 587836775 BNTNQFMUHCWNPR-APBUJDDRSA-N 406.251 3.877 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587448916 NCVQDGRVAQQJEZ-WMZHIEFXSA-N 423.490 3.705 0 1 HHAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(O)c3[nH]2)C[C@@H](C)O1 586968642 PQFSXHRWCXPGBT-CHWSQXEVSA-N 422.514 3.513 0 1 HHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(C2CC2)n1 587229422 GMHZDNHRJPQGHY-UHFFFAOYSA-N 400.870 3.922 0 1 HHAF CC1(C)Cc2n[nH]cc2[C@]2(C1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962930671 WIXKESDEHWMVEL-GBXCKJPGSA-N 419.481 3.723 0 1 HHAF CC(=O)Nc1ccc(NC2=C[C@@]3(CCC2)N[C@H](C(=O)O)Cc2cccc(F)c23)cc1 962904569 WCBOXLLKTFXPLW-NZQKXSOJSA-N 409.461 3.758 0 1 HHAF COc1ccc2c(c1OC)[C@]1(C(C(=O)O)=CN(C)c3c(C)cccc31)N(C)[C@@H](C)C2 962618830 DXHLMSAOCBGWFL-OWJWWREXSA-N 408.498 3.551 0 1 HHAF C[C@]12CCC(=O)C(OC(=O)CCC(=O)O)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 40519746 WHTVSZCQLRMACB-MDTBXDOZSA-N 402.487 3.823 0 1 HHAF O=c1oc2ccccc2c(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1CO 1772632466 NWACSUUHISUAIN-UHFFFAOYSA-N 405.281 3.919 0 1 HHAF COc1ccccc1N1CCN(CCCN[C@H]2CCCc3c(OC)cccc32)CC1 13757351 JQDKIHJGQVYOCG-QFIPXVFZSA-N 409.574 3.883 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c(Cl)[nH]1 1857539383 UQWGNYLAEWDFNZ-MRXNPFEDSA-N 401.898 3.981 0 1 HHAF COc1cc2ncc(CO)c(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC 14945466 XMRKFLUBTWVUMM-UHFFFAOYSA-N 400.431 3.514 0 1 HHAF COc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@H]3COC[C@H]32)cc1OC 15194117 RKVVUMUMIOPICX-YRNRMSPPSA-N 400.471 3.680 0 1 HHAF biogenic COC(=O)[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC 26248080 UZEDZLOOTHTXNN-IBGZPJMESA-N 400.500 3.790 0 1 HHAF CC[C@@H](O)CN(C(=O)CCCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1 27633030 KPGCOKDHPMZLFJ-HXUWFJFHSA-N 410.514 3.925 0 1 HHAF COC(=O)[C@H]1Cc2ccc(OCCc3nc(-c4ccc(C)cc4)oc3C)cc2OC1=O 40846865 ZFDZIRUIUDMWMJ-LJQANCHMSA-N 421.449 3.831 0 1 HHAF CN1CCN(C(=O)C(CN)(CCCc2ccccc2)CCCc2ccccc2)CC1 66073597 SZKYSLMCLAOCLE-UHFFFAOYSA-N 407.602 3.751 0 1 HHAF CC[C@H](C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71330290 INUASEIKXMCJPI-AWEZNQCLSA-N 410.499 3.550 0 1 HHAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187677 TUHRUVNLQCMPQZ-QGZVFWFLSA-N 414.513 3.845 0 1 HHAF Cc1ccc(S(=O)(=O)n2cc(/C=C3/[C@@H](O)C4CCN3CC4)c3ccccc32)cc1 102429875 SNSJLAVNBDPZGG-SINAZASISA-N 408.523 3.614 0 1 HHAF CCCCCN(CCCCC)CC(=O)Nn1c(S)nnc1-c1ccc(OC)cc1 103210548 YNWSTZZVWJPRMO-UHFFFAOYSA-N 419.595 3.995 0 1 HHAF COCCOc1ccn2c(-c3ccc4cccc(OC5CCNCC5)c4n3)cnc2c1 103239374 RROPCZKHYUPTGO-UHFFFAOYSA-N 418.497 3.706 0 1 HHAF Cn1cnc2cc(-c3ccc(CCN4CCCCC4)cc3)nc(NC3CC3)c2c1=O 115624476 FTZQVHFZRKVQLJ-UHFFFAOYSA-N 403.530 3.598 0 1 HHAF Cn1cc(C(=O)c2cncc(NC(=O)Cc3c(F)cccc3Cl)c2)c2cncnc21 169707731 GFJJLAQXMLQSAI-UHFFFAOYSA-N 423.835 3.568 0 1 HHAF O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 169727232 BOOKXOVMQLQATB-CVDCTZTESA-N 414.461 3.734 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3ccc(OC)nc3[nH]2)[C@H]1c1ccccc1Cl 587062728 KBHKYMLFOBMDNT-IFXJQAMLSA-N 414.893 3.714 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587228529 NKTFNUIJVPXVGO-UHFFFAOYSA-N 410.327 3.618 0 1 HHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4nc(Br)c[nH]c-4n3)c2)c1 587231360 AEHOZYNTVGBSST-UHFFFAOYSA-N 422.286 3.684 0 1 HHAF COc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC 587375676 FDQWVZGHEZTZII-CQSZACIVSA-N 408.248 3.769 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCCCC3)nc3ccc(C)cn3c1=O)O2 587393948 BYSKNONCJKTTTO-IBGZPJMESA-N 418.497 3.590 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587490063 QENITKXIELWYKN-XMSXUTLMSA-N 400.471 3.775 0 1 HHAF O=C1C[C@H](c2cnc(O)c(I)c2)Oc2c1ccc1c2CCCC1 587509102 XKFQZSXKXNTTTM-MRXNPFEDSA-N 421.234 3.977 0 1 HHAF Cn1c(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549891 YTDHOHZGZVOXMN-PBHICJAKSA-N 401.216 3.591 0 1 HHAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 587552809 SOVBHVSLCCXQNB-HTAPYJJXSA-N 407.809 3.879 0 1 HHAF CN(C)CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567888 AMAMYGZKAPJSMO-ZJSXRUAMSA-N 405.450 3.907 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O 587595310 REQVNRIECLUMLL-XXBNENTESA-N 408.406 3.992 0 1 HHAF COC(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600194 MTWJRGBJWYFJRQ-ZJSXRUAMSA-N 420.417 3.821 0 1 HHAF CC(C)(C)OC(=O)[C@@]1(C2=COCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614027 BILDDBRCHHJBOH-JPYJTQIMSA-N 410.422 3.739 0 1 HHAF CSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614220 RIBRJDXMHJTIDQ-GCJKJVERSA-N 405.431 3.923 0 1 HHAF CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619178 RDYSAGPDVLTZCK-LZFQIVBZSA-N 414.479 3.799 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587742739 MFMBEDQEKJYVHF-UYSIFFEZSA-N 421.310 3.725 0 1 HHAF COc1ccc(N)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC 587746866 ILPYOJOIFBTXBZ-GIGQVBGESA-N 409.299 3.985 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 587759811 VSBQKTLOARBPEA-GIPWTMENSA-N 416.294 3.652 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCOCC3)o2)N1 587774894 QFVQEXIMRVMEFY-CWTRNNRKSA-N 409.299 3.637 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2c1 587788134 QEUWLZCLWAAMDE-UHFFFAOYSA-N 403.504 3.634 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1=C(C)N[C@@H]2C=CC(Cl)=CN12 587870982 MUXKGEWBZQKZIT-KRWDZBQOSA-N 400.841 3.841 0 1 HHAF CN(C)CCNC(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1 653760138 UUDACZFYVGYWFK-UHFFFAOYSA-N 412.444 3.533 0 1 HHAF Nn1c(SCCN2CCCC2)nc2cc(-c3ccc(Cl)cc3)sc2c1=O 958061036 DWQFINJRPCFNAX-UHFFFAOYSA-N 406.964 3.680 0 1 HHAF Cn1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(-c2ccccc2)n1 962637664 OUDDNNGVCYVFFL-KXBFYZLASA-N 417.387 3.674 0 1 HHAF COc1ccc2nc(-c3ccc(Cn4nc(C)c(CC(=O)O)c4C)c(F)c3)[nH]c2c1 1772637645 RKAKJGFNNBVWGD-UHFFFAOYSA-N 408.433 3.866 0 1 HHAF O=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2ncccn2)CC1 1857569116 VJGYBRVHAUSTAR-UHFFFAOYSA-N 415.541 3.973 0 1 HHAF CCCCCCN1C=N[C@@H]2C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)=N[C@H]21 1857579624 XYDJQJXDLKLRSN-ZEQRLZLVSA-N 418.541 3.955 0 1 HHAF CCc1c(-c2ccc(N3C[C@@H]4CCCN(C)[C@@H]4C3)cc2)nc(O)c2c(O)nsc12 1857608180 JROQDFVZSDSITK-WMLDXEAASA-N 410.543 3.862 0 1 HHAF Cc1ccc(C)c(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)c1 4583861 NTDIRJAXHHBYGY-UHFFFAOYSA-N 418.493 3.832 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 95599762 FUQFZCCVRSCYKG-LJQANCHMSA-N 405.903 3.884 0 3 HHAF COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 206024775 NRSRFQQUPYTFOS-TZIWHRDSSA-N 411.483 3.644 0 3 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C 4310485 AFAMMXDWWMBOQI-SSKFGXFMSA-N 419.566 3.784 0 1 HHAF CCOCCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(CC)cc3)oc2C)C1 5056125 QCPHZVUJCWJVQT-OAQYLSRUSA-N 413.562 3.967 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 13526250 PTPSBYOWELRFJR-VXKWHMMOSA-N 407.558 3.517 0 1 HHAF CC(=O)SC[C@@H](C(=O)N[C@@H](C)C(=O)OCc1ccccc1)[C@@H](C)c1ccccc1 26021034 YRNMSDWCGDCPGU-XGHQBKJUSA-N 413.539 3.934 0 1 HHAF COc1ccccc1CC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 29327469 UKMPQZNAHCQQAM-AHJNKEMKSA-N 422.562 3.552 0 1 HHAF CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)C[C@@H]2CCCO2)cc1 40900068 BRUMRVHYUJSDAO-FQEVSTJZSA-N 413.539 3.788 0 1 HHAF O=c1[nH]c2cccc(N3CCN(C[C@H]4CCc5c([nH]c6ccc(F)cc56)C4)CC3)c2o1 45253088 OBEJISAWFMGQOW-HNNXBMFYSA-N 420.488 3.669 0 1 HHAF COC(=O)c1ccc2c3c(c(C[C@H](C)OCc4ccccc4)cc2c1)C(=O)NC3=O 45303324 SYAZUNLGRIQTCH-AWEZNQCLSA-N 403.434 3.658 0 1 HHAF COc1cc(OC)cc(N2NC3=CC[C@@H](OC)O[C@@]3(c3ccccc3)CCC2=O)c1 64510381 PWAUMARBJRRJFO-XZOQPEGZSA-N 410.470 3.507 0 1 HHAF COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)cc(OC)c1OC 95921309 WFZZPLAPENBNIY-UHFFFAOYSA-N 405.498 3.851 0 1 HHAF in-vitro Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C#N)n1CCCN1CCOCC1 220768874 CZWOSNSJUXMHOV-UHFFFAOYSA-N 420.435 3.662 0 1 HHAF O=S(=O)(Cc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950500 GNZANFZWYNBODV-UHFFFAOYSA-N 406.458 3.773 0 1 HHAF FC(F)(F)Oc1cccc(CSCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587123028 QNZFDUYDDMGVAO-UHFFFAOYSA-N 406.393 3.871 0 1 HHAF Cc1nn(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br 587537980 CCRGHOWMYSIXDT-IFXJQAMLSA-N 415.243 3.900 0 1 HHAF COC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587590792 ASBHYRUDZYTMCE-URXFXBBRSA-N 420.417 3.821 0 1 HHAF CCOc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587595083 MOKMLUQJWLAACL-AUSIDOKSSA-N 403.390 3.600 0 1 HHAF CC(=O)NCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613382 OMQJJYWYNFNKGS-SIKLNZKXSA-N 409.463 3.967 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587734849 RWSJEGAVIUEFAO-AYLIAGHASA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 587736581 SLFFDGYYMZALRL-MGNBDDOMSA-N 405.246 3.932 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@@](c2cc(F)cc(F)c2)(c2ncco2)N1)C(F)(F)F 962709931 KOEVYEPLKDKQHX-APWZRJJASA-N 408.326 3.890 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 962900450 QWQFBGDOPXBYIM-PGRDOPGGSA-N 407.470 3.849 0 1 HHAF C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177410 IMUCYVQYIXVOSV-KZULUSFZSA-N 413.779 3.950 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2cc(F)ccc2F)(C(F)(F)F)N1 963223474 AWQCFHONHTWSFZ-HKUYNNGSSA-N 408.326 3.918 0 1 HHAF COc1ccc([C@H](N[C@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1ccc(F)cc1 1772641731 PHYXKVPKHJGFOT-XUSGNXJCSA-N 402.441 3.509 0 1 HHAF Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4cccc(Cl)n4)cc3)n2)cn1 1911584597 HVHJKHDMLQCSHC-UHFFFAOYSA-N 421.848 3.552 0 1 HHAF CC=C1C[C@@H]2[C@H](OC)Cc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 2356519653 LIJUHCYJZPDEAU-YGUFSCDCSA-N 413.514 3.585 0 1 HHAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356845624 OGSDYCPNYNWUNN-XQNGCSSPSA-N 408.579 3.593 0 1 HHAF CN(C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1)C1CCCCC1 1548560 SFVRSCDYQRBUBX-UHFFFAOYSA-N 410.518 3.755 0 1 HHAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4053228 PVCDJTCVRRXCAW-GIWBLDEGSA-N 419.525 3.687 0 1 HHAF COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1OC 4054110 ORMIWXJWDVNFQM-JTHBVZDNSA-N 420.465 3.748 0 1 HHAF O=C(Nc1ccc(F)c(F)c1)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 4880223 GBHJPRRCKWIDHW-KRWDZBQOSA-N 408.451 3.685 0 1 HHAF Cc1cccn2cc(-c3ccc(NS(=O)(=O)CCCN4CCCCC4)cc3)nc12 13819599 VNKAOQPFMYFWGW-UHFFFAOYSA-N 412.559 3.927 0 1 HHAF CN(C)CCO/N=C\C=C1/CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 26399874 AXQOWEULGYIMJG-KPBUMQQYSA-N 418.622 3.995 0 1 HHAF CC(C)(CN1CCN(Cc2ccccc2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2 27561102 UTOJCPVSJZEIOJ-UHFFFAOYSA-N 409.618 3.915 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820800 NCQLOJDAPOEYJA-VCYMYDRRSA-N 404.547 3.865 0 1 HHAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3Cc3ccc(Cl)cc3)cc2N1 35901760 PRFRFUUDXFZJBY-QHCPKHFHSA-N 420.852 3.520 0 1 HHAF CC(=O)c1c(NCCN(C)C)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 40878881 KFNBADFRNNZGNZ-UHFFFAOYSA-N 408.527 3.534 0 1 HHAF CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188402 QDUZFBXQWXKYMW-HNNXBMFYSA-N 418.501 3.746 0 1 HHAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2)ON1C 95591993 LDYALLKTSDKSBJ-KGLIPLIRSA-N 421.228 3.616 0 1 HHAF O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95794753 DZMCXYVTJFWCML-RPWUZVMVSA-N 422.544 3.947 0 1 HHAF COc1cc(C(=O)[C@@H](O)C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1OC 101692176 PPVYACMKLMJBGF-DEOSSOPVSA-N 418.445 3.633 0 1 HHAF CCCN(CCC)[C@@H](C)C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 143764043 KSZYOAGICNCFCW-KRWDZBQOSA-N 410.562 3.689 0 1 HHAF O=C(NCCCc1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C2)nc1 166395584 NMVSLTFSDNJVPS-UHFFFAOYSA-N 400.482 3.992 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OC/C=C\I)[C@H](c1ccccc1)C2 253782738 PTARSFHGDDMYOJ-XGFNEZIUSA-N 411.283 3.745 0 1 HHAF O=C(NCc1ccc(-c2cccnc2)cc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1 299819143 BIWYIDZINXVAJN-UHFFFAOYSA-N 415.428 3.793 0 1 HHAF O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@H]([C@H]53)N2CCCCNc1ccnc2cc(Cl)ccc12 299839889 TXOTZJORBMAIBE-IICFFHQDSA-N 407.945 3.841 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 586904142 QKGPHTNMKIRGRW-UHFFFAOYSA-N 401.488 3.681 0 1 HHAF O=[S@@](CCCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1 586959084 INGZGNATNTZAPR-VWLOTQADSA-N 419.304 3.648 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 587038765 BPAMKMQBNOKHFV-IAGOWNOFSA-N 418.526 3.569 0 1 HHAF COc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(Cl)n1 587083747 JHCTURQSPDDLTA-UHFFFAOYSA-N 421.025 3.940 0 1 HHAF CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432339 WHUVZSFLNWUCJL-IQGLISFBSA-N 418.493 3.698 0 1 HHAF CCOC(=O)[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590049 WUEINILCJQDISI-FDDCHVKYSA-N 405.406 3.516 0 1 HHAF COc1cc(N)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587746819 IALVCFOKWJBQFF-DGIBIBHMSA-N 409.299 3.985 0 1 HHAF CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774731 XFHIAXJZXMYSQQ-WLRWDXFRSA-N 407.283 3.958 0 1 HHAF COc1ccc(OC)c(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 587923750 KPHBQHCAXARLMV-UHFFFAOYSA-N 404.513 3.890 0 1 HHAF Nc1nccn2c(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)cnc12 653687408 AKXJGLJSLIWWEW-UHFFFAOYSA-N 408.259 3.993 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)C1(CCC3(CC1)CN(C(=O)OC(C)(C)C)C3)NCC2 962929703 WBWOVKRAZGSGAT-UHFFFAOYSA-N 413.562 3.541 0 1 HHAF COc1nccc([C@@H]2NCCc3cc4cccc(OC)c4nc32)c1NC(=O)C(C)(C)C 963065951 KKHKGQKSRZHYKQ-FQEVSTJZSA-N 420.513 3.867 0 1 HHAF CC(C)(C)N1CCN(c2ccc(Nc3nc4cc(NC5CC5)ncc4[nH]3)nc2)CC1 1857563646 QMAWZKOGCVCWRL-UHFFFAOYSA-N 406.538 3.591 0 1 HHAF CC(C)=CCc1ccc(O)c2c1[C@H](c1cc(C)cc3c1O[C@H](C(C)(C)O)CO3)NC2=O 2356323864 FMZQVUPZAJIUSS-UGKGYDQZSA-N 423.509 3.953 0 1 HHAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@@H]2[C@H]1O 2356372049 WNFNEOMOCHBMGF-LNOHAOIPSA-N 420.638 3.989 0 1 HHAF COc1cc(CC[C@]2(OC(C)=O)CC[C@H](CCCCCCO)[C@@H](O)C2)ccc1O 2356512979 MZUJFBWKTSQUIW-RRPUWOKSSA-N 408.535 3.739 0 1 HHAF CC(=O)O[C@H]1CC2=C(COC2=O)[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]12 2356581982 RTPXSUTVUHNKEI-JPQZPWDTSA-N 418.530 3.966 0 1 HHAF Cc1nc(-c2ccccc2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(CO)o2)n1 2356818946 DXSLIRZXXRNJST-MIZPHKNDSA-N 418.541 3.505 0 1 HHAF Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)Nc1ccc(CN3CCC(C)CC3)cc1)O2 5069972 SAHXLFGVZXNYGA-JOCHJYFZSA-N 407.514 3.955 0 3 HHAF CN1CCN(c2ccc(-c3cc(NC=O)c4ncc(-c5ccccc5)n4c3)cc2)CC1 61902352 WDTWBMUYRBLBQN-UHFFFAOYSA-N 411.509 3.988 0 3 HHAF CCc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cn2c1N(C)CCC(C)C 61908398 UMLHRSRMPFIMRU-UHFFFAOYSA-N 407.518 3.730 0 3 HHAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)cc1 4044921 XBZJNGUWOCVRKP-VWNXMTODSA-N 421.541 3.827 0 1 HHAF Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc3c(c12)C=CC1(CCCC1)O3 20512852 PXRRHERNCOTCLE-UHFFFAOYSA-N 410.514 3.912 0 1 HHAF O=C1[C@H]2C[C@@H](CN2C(=O)Cc2ccccc2)Oc2ccccc2N1Cc1ccccc1 2356600964 FKWMIVBVDGYCTL-JTHBVZDNSA-N 412.489 3.824 0 1 HHAF COc1cc(C=CCO)ccc1O[C@H](C)[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 2356633120 YKCQRENZSQIALG-JLCFBVMHSA-N 400.427 3.501 0 1 HHAF C[C@@H]1CC[C@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@]1(C)CC[C@H]1CO[C@@H](O)C1 2356697184 MDPCJYDWRZUJJR-DGOTUORDSA-N 408.535 3.918 0 1 HHAF COC(=O)[C@@H](O)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356812975 CBTSGRWRWACHRS-DSIHKZRBSA-N 422.606 3.537 0 1 HHAF Cc1ccn(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)n1 40392408 LOODSIUNJFYLJY-UHFFFAOYSA-N 402.389 3.609 0 1 HHAF COCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccco1 82142078 MTOVUQANAQKGGG-UHFFFAOYSA-N 414.893 3.811 0 1 HHAF CCn1c(C)nnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 139744293 KRTPZNHXSCQQCQ-GOSISDBHSA-N 404.923 3.522 0 1 HHAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(NC)c3)cc21 95559693 AZXHEEBZTALYQD-SFHVURJKSA-N 410.470 3.558 0 1 HHAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1 95921024 JMDRAMDTWLAOHD-GOSISDBHSA-N 402.502 3.833 0 1 HHAF in-vitro CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(C(C)C)cc12 299857809 DAPFYERABRZDPB-UHFFFAOYSA-N 421.379 3.855 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595845 OXBOYGNARIINHI-MBSDFSHPSA-N 403.390 3.518 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cccnc4N(C)C)nc3c2)cc1 587195868 LYQZEVHFEKPZOQ-UHFFFAOYSA-N 423.498 3.500 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CN2CCOCC2)c1 587593564 KJVHLHUMEDPUFY-DHLKQENFSA-N 417.461 3.927 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 587030377 CSUGZJMXMVDKFZ-QOUOVQQFSA-N 413.528 3.789 0 1 HHAF CCOC(=O)[C@@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587770376 JAROMMCGRDLENZ-HXPMCKFVSA-N 407.283 3.633 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2nccn2C)N1 587752052 BKQSVDRFYZGHGD-MPBGBICISA-N 415.310 3.730 0 1 HHAF C[C@]1(c2ccc3c(c2)OCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593331 ISKHEMMMIRPWQL-NZQKXSOJSA-N 403.390 3.600 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc5ncccc5c4[nH]3)CC2)cc1 586954523 JKZRELBDVPLHRY-UHFFFAOYSA-N 406.511 3.988 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4cc(CO)ccc4[nH]3)cc2cc1Br 586998867 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c1ccc(COC[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cnnc5)cc34)C2)cc1 13765964 HQTKJKBMUWZMCC-HXUWFJFHSA-N 401.514 3.830 0 1 HHAF COc1ccc([C@@H]2Sc3ccccc3N([C@H](C)N(C)C)C(=O)[C@@H]2OC(C)=O)cc1 169085312 YHPPHZYGGIUDFA-IFZYUDKTSA-N 414.527 3.715 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1 169707041 NJDNNMMTGUHUJL-QGZVFWFLSA-N 406.461 3.706 0 1 HHAF CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCCc2ccccc2)c(OC)c1 169729871 AYKYFDQJWBDOAU-LEWJYISDSA-N 410.470 3.721 0 1 HHAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3ccc(C(N)=O)nc3)ccc2N1C(C)=O 1857763051 ZOECILBNCIOJTG-OAQYLSRUSA-N 414.509 3.999 0 1 HHAF COc1cc(C[C@H](C)[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)cc(O)c1OC 2356380866 SYAQUKRBBRLVBT-MRRFBWAASA-N 406.475 3.681 0 1 HHAF Cc1cc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)ccc1O 3962428 GTOGFDSXBRRFNR-XICOBVEKSA-N 403.519 3.576 0 1 HHAF CC(C)C[C@H](CNC(=O)CCC(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)CC(=O)O 26571059 KMXHNNPXBJMHJZ-MVGIZAFVSA-N 420.594 3.885 0 1 HHAF O=C(O)/C=C/c1ccc(C(=O)N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 26746115 BHMKPPGZJJEFPF-IGVGMEOHSA-N 414.461 3.572 0 1 HHAF CCN(CCCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O)c1ccccc1 101786127 YERZEOOKQJWWHZ-UHFFFAOYSA-N 417.513 3.583 0 1 HHAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)C[C@@H](N)c2ccc(OC)cc2)CC1 28703171 QCXLPRYYFORIOD-JOCHJYFZSA-N 409.530 3.519 0 1 HHAF CN(C(=O)Cc1ccc(OCc2ccccc2)cc1)[C@@H](Cc1ccccc1)C(=O)O 27207921 ZOFKESRETNLPRM-QHCPKHFHSA-N 403.478 3.962 0 1 HHAF C[C@H](CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(c2ccc(F)cc2)CC1 29409090 YGNHEDMWLQZJBE-LJQANCHMSA-N 415.553 3.826 0 1 HHAF Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC(C)C)c2sccc23)cc1C 20516319 MMLHZCHYOIQDIY-UHFFFAOYSA-N 401.517 3.609 0 1 HHAF COCCn1cc(CCC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)c2ccccc21 2356761236 QTRDUETWKJKTES-GMAHTHKFSA-N 411.590 3.943 0 1 HHAF CCCN(CC1CC1)c1cc([C@@](C)(O)c2c(OC)cc(OC)cc2OC)nc(C)n1 28365363 LTMCJNFBXNAUJF-HSZRJFAPSA-N 415.534 3.693 0 1 HHAF CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1 72116325 VAAVZLJWXZUIAH-GOSISDBHSA-N 402.560 3.509 0 1 HHAF O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 220715061 NUFXKJOWPLPSAQ-SYNHAJSKSA-N 404.445 3.750 0 1 HHAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516947 YAKRGTWWPGEOHA-VOIUYBSRSA-N 408.498 3.594 0 1 HHAF NC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587092821 ZKNBAKQPDIFFLK-UHFFFAOYSA-N 404.270 3.684 0 1 HHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586918124 WLTCXTUYPLACNQ-XDHUDOTRSA-N 416.481 3.535 0 1 HHAF CCOC(=O)[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333972 DISXTDCYXBHSHX-NFBKMPQASA-N 407.397 3.744 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1sc(-c3ccc(C)n3C)nc1C)O2 587413077 LUQZKJCBUBZSTQ-OAQYLSRUSA-N 411.483 3.601 0 1 HHAF COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1C=O 587591159 GBMRRFSYZZPTFL-AUSIDOKSSA-N 422.389 3.630 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2N)N1 587679455 FIBAYKGEHDFCGQ-WJWGPLDTSA-N 415.104 3.952 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCN3CCOCC3)c1)CC2=O 587478034 ZIWHFHIXEXJGJH-QHCPKHFHSA-N 411.498 3.762 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(NC(=O)C4CC4)cc1)[C@@H](C2)C3=O 587433004 OEBSFFGZNLUKFU-UUOWRZLLSA-N 420.465 3.579 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H](C(=O)O)NC[C@@H]32)c1 587363693 SXCHUYOFEKYHQF-DMPWYTOCSA-N 400.434 3.969 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)[C@@H](C2)C3=O 587445613 WWGGNWHUWPWMGU-QEPKMISZSA-N 414.502 3.615 0 1 HHAF Nc1ncc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587573774 CZNNHXJBSSUFNL-NFBKMPQASA-N 411.417 4.134 0 1 HHAF CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521643 ITMKPSLSISFCFW-QHCPKHFHSA-N 402.487 3.668 0 1 HHAF CCOC(=O)[C@H]1CCc2ccncc2[C@]12c1ccsc1CCN2Cc1cccn1C 962400302 UDCJOGUHWLPEAO-YKSBVNFPSA-N 421.566 3.909 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCCC12CN(C(=O)OC(C)(C)C)C2 963629131 AEVKIHANLKWRQL-CMJOXMDJSA-N 402.535 3.854 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2nc(Cl)cnc2Cl)N1 962707879 YTMMGDDLBQRCFW-MWLCHTKSSA-N 410.154 3.630 0 1 HHAF Cc1cccc(-c2nc(C[S@@](=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1 5057907 WXEMQIDFUAYZIA-LJAQVGFWSA-N 408.523 3.792 0 3 HHAF O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 14968695 OOWWRLDCRDKVLB-SFHVURJKSA-N 410.477 3.716 0 1 HHAF O=C1Nc2cccc(CN3CCOCC3)c2CN1c1csc(-c2ccncc2)n1 14974690 NLNPAKHIICQMGC-UHFFFAOYSA-N 407.499 3.589 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166144117 HNXASWVPNYLPKH-UHFFFAOYSA-N 415.449 3.893 0 1 HHAF c1ccc2[nH]c([C@H]3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)nc2c1 205113373 OCHPSOKVGIQSIN-KRWDZBQOSA-N 414.513 3.727 0 1 HHAF Cn1nc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ncnc3n[nH]cc23)cc1 1857541846 VDPVNPBTYYGJMI-UHFFFAOYSA-N 418.339 3.542 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1Cl 1857566465 XPPWMFMGNVNVGQ-FQEVSTJZSA-N 411.889 3.954 0 1 HHAF COc1cc(C2=CCCCc3c2ccc(OC)c3OCCO)cc(OC)c1OC 1857596832 ZJUOBVLONOOXJS-UHFFFAOYSA-N 400.471 3.860 0 1 HHAF CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 758447 ANJILMQNIAJUHC-QFIPXVFZSA-N 422.525 3.810 0 1 HHAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC 4049538 BHELPVDWHSEXAE-UYAOXDASSA-N 412.486 3.721 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 4050854 OXKSGFIKLJEWLD-IWZNJAMVSA-N 410.514 3.700 0 1 HHAF O=C(O)C[C@](O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758171 YYQRLLLEXVHQGE-GOSISDBHSA-N 405.274 3.736 0 1 HHAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)C1CCCCC1)CC2 28563523 WZYBDXSZBDDICM-RCZVLFRGSA-N 411.590 3.669 0 1 HHAF C[C@H](Nc1ncnc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 45317215 JJCLUJCWQSDTCS-BTYIYWSLSA-N 413.481 3.819 0 1 HHAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCn1cncn1 72108838 AEGDROATSVJXFJ-UHFFFAOYSA-N 413.275 3.660 0 1 HHAF C[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(F)cc1 73240725 FHBSEAZXOOCQCK-INIZCTEOSA-N 423.492 3.718 0 1 HHAF COCCNC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccco1 82142817 PSNGYCFUKMNCBI-UHFFFAOYSA-N 420.391 3.744 0 1 HHAF CC(C)[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206609 ZRQQJAAVEOUVEJ-LJQANCHMSA-N 414.525 3.640 0 1 HHAF O=C(Cc1ccc(Br)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1 96914296 PNXYFIGPHQTRFX-UHFFFAOYSA-N 417.255 3.520 0 1 HHAF C[C@@H](N[C@H]1CCN(c2ccc(C(=O)NCC(=O)O)cc2)C1)c1cccc2ccccc12 118898928 QXHWNBXXLINEOT-XLIONFOSSA-N 417.509 3.584 0 1 HHAF CC(C)Nc1ncc(Cl)c(-c2c[nH]c(C(=O)N(C)[C@H](CO)c3ccccc3)c2)n1 169693465 VUBUDMRKXHYWIS-GOSISDBHSA-N 413.909 3.751 0 1 HHAF CC(C)[C@H](CO)NCc1nc(N2CCc3c(cccc3C(F)(F)F)C2)ccc1F 204412562 ZKTWSMXQKAUBQA-IBGZPJMESA-N 411.443 3.909 0 1 HHAF CCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCC3(CC2)CC3)cc1F 216247159 GCHVXEMPNFSYAS-UHFFFAOYSA-N 403.903 3.908 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3c(C)cccc3F)no2)c1 218171183 CAQSJYDHFANXMS-SFHVURJKSA-N 418.432 3.660 0 1 HHAF COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)NC(C)=O)ccc12 225069052 BGYXKRIQOCNLFV-UHFFFAOYSA-N 424.400 3.754 0 1 HHAF CCNC(=O)Nc1nc2cc(-c3ccc([C@H](O)CC)nc3)c(F)c(-n3cccn3)c2[nH]1 299818940 APVIUBQKLNUTJL-MRXNPFEDSA-N 423.452 3.535 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(F)cnc3[nH]1)C(=O)OC2 586915800 RSLWABXUCCXPIV-NYYWCZLTSA-N 411.433 3.912 0 1 HHAF CCOC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586990090 UWPSYUQSWPDWTM-WYRIXSBYSA-N 401.418 3.560 0 1 HHAF O=C(NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cscn1 587027823 HVKFFBNZXKDFQS-UHFFFAOYSA-N 405.199 3.731 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 587032966 WMKPMWPLRIDXPJ-UHFFFAOYSA-N 403.261 3.971 0 1 HHAF Nc1ncc(Cl)nc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587086371 HOHRPBXSMFHQQM-UHFFFAOYSA-N 408.565 3.917 0 1 HHAF COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2n1 587141623 XNBZHRMZYAAGEO-UHFFFAOYSA-N 416.409 3.713 0 1 HHAF CCN(CC)C(=O)COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426645 AMEJBOXFGWCZEW-NTKDMRAZSA-N 409.482 3.605 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O 587430544 VHWUSVVXRLAFPT-ZJBJCVSYSA-N 424.497 3.590 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(SC)cc1)(c1[nH]c(O)nc1C)[C@@H](C2)C3=O 587450558 HMTAYEAXRQDMRK-AOMKIAJQSA-N 408.479 3.845 0 1 HHAF O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587608353 KDZCSSAVVAWOIF-WMZHIEFXSA-N 402.358 3.610 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587751859 ZHJFLONPOMOACD-GIGQVBGESA-N 409.299 3.985 0 1 HHAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CC5CC5)[nH]c4c3)cc2)CC1 587962005 HPQHKCAWDHOZNC-UHFFFAOYSA-N 403.530 3.515 0 1 HHAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3Cl)O2)n1 653887152 VIYBMHAVFHFKJW-RSBSDTRBSA-N 409.891 3.791 0 1 HHAF O=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1CN1CCN(c2ccccc2Cl)CC1 103155055 GEUAVPONECHPTR-KRWDZBQOSA-N 418.324 3.616 0 1 HHAF COc1ccc(C2=C[C@@H](c3ccc(F)c(Br)c3)n3nnnc3N2)cc1 102798550 HTKXCFPGQPOFMK-INIZCTEOSA-N 402.227 3.639 0 1 HHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1OC 101616449 YVYZZAMTDDBQFW-DAMBIUFKSA-N 402.451 3.586 0 1 HHAF CC[C@@H](CO)Nc1ncc2scc(C(=O)Nc3cc(Cl)ccc3OC)c2n1 113651546 IDCLVNNBUXPKQU-NSHDSACASA-N 406.895 3.788 0 1 HHAF C[C@H]1CC[C@H](Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1 118561233 FULUINOHYCLIMM-HKUYNNGSSA-N 413.481 3.888 0 1 HHAF CC(C)Oc1cc(OCCc2ccncc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 28523516 KXWMKIUMCNMERH-UHFFFAOYSA-N 421.453 3.836 0 1 HHAF COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(NC(=O)C(C)(C)C)c1 66259206 WKPUMIWGFYCCJX-UHFFFAOYSA-N 416.474 3.958 0 1 HHAF COc1ccc2c3c1O[C@@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@]314 504215557 VPMRSLWWUXNYRY-MEROFXMNSA-N 403.478 3.715 0 1 HHAF biogenic CC(C)n1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 211106554 MPAJFLQBHBSWNO-UHFFFAOYSA-N 424.936 3.953 0 1 HHAF COc1ccc(NC(=O)N2N=C(C)N(C(=O)Nc3ccc(OC)cc3)N=C2C)cc1 40505755 HUDBYMVPAGNNOL-UHFFFAOYSA-N 410.434 3.752 0 1 HHAF C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C 45323970 YVSLPYQTEBIJSI-IERDGZPVSA-N 410.539 3.623 0 1 HHAF COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2F)cc(OC)c1OC 1911571403 NYYYLFUSXWJOML-UHFFFAOYSA-N 423.488 3.990 0 1 HHAF CCOC(=O)c1ncn2c(=NCc3cccc4c3CCO4)[nH]cc(-c3ccccc3)c12 1911574163 NVLDOBSHHBLLPT-UHFFFAOYSA-N 414.465 3.542 0 1 HHAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 84652425 VYBAYBPEFHPCRU-AWEZNQCLSA-N 406.523 3.915 0 1 HHAF in-vivo COc1cnc2ccc([C@H](CO)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1 299868033 ZGOUORFIPDLOQN-KRWDZBQOSA-N 419.416 3.513 0 1 HHAF CC(=O)c1c[nH]c2ccc(-c3ccc(O)nc3)nc2c1=N[C@H]1CC[C@H](CN(C)C)CC1 473164924 FOWKEIIGCPMRJE-SAABIXHNSA-N 419.529 3.554 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCC(=O)O)c2)N1 587791842 IQAAOQWPNVTUSG-WYRIXSBYSA-N 408.267 3.849 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346479 JAEAMZVSMAXNPI-NOXFTYBFSA-N 416.445 3.865 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 587801700 HUFPKZSDAWIUDA-APBUJDDRSA-N 403.251 3.932 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnc3ccccc3c2[nH]1 586945256 DZOUSASCPCZYRE-HNNXBMFYSA-N 422.510 3.544 0 1 HHAF CC(=O)Nc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614346 SBKYTODHORLEQO-KKSFZXQISA-N 410.451 3.993 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2N)N1 587682404 LTHNJFXDZMDDLW-UOWDBTKRSA-N 415.104 3.952 0 1 HHAF COc1cc(Br)cc(C=O)c1OCc1nc2c(F)cnc(Cl)c2[nH]1 586980130 KPVRYCIZCQEHLE-UHFFFAOYSA-N 414.618 3.913 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 587768108 SUDZDMOGRSYSMS-FKIZINRSSA-N 418.310 3.916 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 587403850 LYAMERLQXSVXNZ-XMMPIXPASA-N 401.418 3.750 0 1 HHAF CCOC(=O)CCc1c(C)c([C@@H]2NCCc3c(C(=O)O)cccc32)c2ccccn12 963135149 XDAVQIBMBSYTLP-HSZRJFAPSA-N 406.482 3.677 0 1 HHAF CSc1ccc([C@@]2(CCCC(=O)O)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963506700 GAJRCMKZXRCBOU-HTAPYJJXSA-N 415.511 3.520 0 1 HHAF COc1cccc([C@@]2(c3ccc(Cl)nc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963492089 QDRZFHQEWHYEDP-CVDCTZTESA-N 424.884 3.648 0 1 HHAF CCOC(=O)CC(=O)[C@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816487 CISOUPIFGPORQE-DEOSSOPVSA-N 406.482 3.630 0 1 HHAF CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 13660466 ADGRPWGBFQJCRO-DEOSSOPVSA-N 422.456 3.735 0 3 HHAF CC(/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CCCCCCO 14824955 ZQYJKIOOBBBACO-QEYZGOMESA-N 403.519 3.586 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169297229 LPRDKGYMPJZAIG-COXXTLHVSA-N 402.425 3.636 0 1 HHAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1=O 200051023 UDSGIPOQLFQFCJ-HXUWFJFHSA-N 403.482 3.961 0 3 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)CCO)no2)cc1C#N 202702557 CTTFKORTOJLIDU-NRFANRHFSA-N 418.497 3.974 0 1 HHAF Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2cc[nH]n2)cc1F 1857600491 CTRKOYLEBIFWAO-HZPDHXFCSA-N 409.465 3.886 0 1 HHAF CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CCCC4)c3c2F)C1 5843486 YTFLEBJQRSWDNB-CYBMUJFWSA-N 419.472 3.529 0 1 HHAF C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@H](C)N1 13758893 GEPZFLWXFQXQJE-HOTGVXAUSA-N 405.477 3.801 0 1 HHAF Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)n1cccc1 13802625 TXZQLIIAZDRDKP-GOTSBHOMSA-N 418.493 3.632 0 1 HHAF COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25427526 CTALOAJZOMKFIA-AEFFLSMTSA-N 416.481 3.570 0 1 HHAF biogenic Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(C)c3cc2c1C 26772289 YNUWMVJULJVBGL-GOSISDBHSA-N 413.470 3.931 0 1 HHAF biogenic C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 28948447 HJVSSDRCWQFUQC-ACJLOTCBSA-N 415.877 3.817 0 1 HHAF COc1cc(CNc2ccc(C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC 36338689 LAEIBZQXVYDLIO-UHFFFAOYSA-N 408.458 3.554 0 1 HHAF CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@@H]5C(=CC[C@@H]23)C(=O)O[C@]5(O)C[C@@]4(C)O)O1 40894917 ABMVTHXMVSOQJZ-WICPAFQPSA-N 416.558 3.885 0 1 HHAF CCNCc1nc2c3ccccc3nc(NC(=O)c3ccccc3)c2n1CC(C)(C)O 72177066 LCDWPYAKBLLLHS-UHFFFAOYSA-N 417.513 3.717 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@H](N)CC2 88260908 JFSJPPGMGSZPNT-XZOQPEGZSA-N 418.578 3.688 0 1 HHAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(NC)c3)cc21 95559692 AZXHEEBZTALYQD-GOSISDBHSA-N 410.470 3.558 0 1 HHAF COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 95607631 SATXLDNXPGMNQI-AIDJPXSQSA-N 415.537 3.772 0 1 HHAF CC(C)C[C@H]1C(=O)N[C@@H](c2ccco2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103264330 LDNKDQRBNHMXOM-MSOLQXFVSA-N 411.433 3.802 0 1 HHAF NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc2c(N[C@H]3CCCNC3)ncnc12 114350179 CXLNZTRSMVEOOL-HNNXBMFYSA-N 415.419 3.578 0 1 HHAF Cc1nnc(Sc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)o1 114806222 JTNPPQLVTDGEBE-UHFFFAOYSA-N 404.498 3.604 0 1 HHAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2-c2nn[nH]n2)nc1 145209181 UNBOWVGHAYSETF-UHFFFAOYSA-N 406.446 3.945 0 1 HHAF COc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 167329233 WGFSLPFYDPNSCW-BEFAXECRSA-N 421.522 3.728 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OC/C=C\I)[C@@H](c1ccccc1)C2 169340824 PTARSFHGDDMYOJ-NLCPYAEQSA-N 411.283 3.745 0 1 HHAF CC1=CC[C@]23O[C@@]2(C)CC[C@H]2[C@H](CSc4ccccc4C(=O)O)C(=O)O[C@@H]2[C@@H]13 200461003 DPECFTWJKRFVPH-RZAAXYBISA-N 400.496 3.922 0 1 HHAF CN(C)c1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)cc1 209704743 LRRMZPZNVYNFIJ-OAQYLSRUSA-N 417.509 3.757 0 1 HHAF Cc1ccc(S(=O)(=O)n2ccc3ccc(N4CCN5CCCC[C@H]5C4)cc32)cc1 253703228 NYKLQLBVLXTGSG-NRFANRHFSA-N 409.555 3.861 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586940624 BJJGNOWGCIQBQX-KTKRTIGZSA-N 411.405 3.860 0 1 HHAF COCOc1ccc([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435059 BDVHIWSWMCYZSG-YKSBVNFPSA-N 403.434 3.764 0 1 HHAF Cn1cnc(I)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509056 XFTKWRYLWOIPPL-AWEZNQCLSA-N 408.239 3.610 0 1 HHAF C[C@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521493 CHJRXFNPYORRJG-HSZRJFAPSA-N 405.454 3.900 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742439 RJTGRSUNOOPFPA-FKIZINRSSA-N 421.310 3.679 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587757992 VZSZVHGINILEPN-KLWBCFSXSA-N 413.331 3.736 0 1 HHAF COC(=O)c1ccc(C=O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803502 BFCFVEQQZCHDPA-MGNBDDOMSA-N 406.251 3.811 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2c(c1)ncn2C 587867772 AHXFSQAUBWCYJY-UHFFFAOYSA-N 401.348 3.548 0 1 HHAF Oc1cc(O)c2c(n1)CCC[C@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948819 BYWXAGZQDHJUMR-OAQYLSRUSA-N 420.431 3.743 0 1 HHAF CC(=O)Nc1nc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cs1 962962280 WZWRFSNMLQNZTQ-INIZCTEOSA-N 411.449 3.861 0 1 HHAF CCC(CC)[C@]1(c2c[nH]c(C(=O)NCc3cccnc3)c2)NCCc2ccc(O)cc21 963329075 KORVRLREQVTVPF-RUZDIDTESA-N 418.541 3.871 0 1 HHAF Cc1cc2c(cc1N1Cc3cn(C)c(=O)cc3NC1=O)O[C@@H](c1ncccc1F)CC2 1772593412 JEFODDXFNQEKAR-LJQANCHMSA-N 420.444 3.846 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@@H]2C[C@H]1CN2 1772636507 YKGJRLADRAPYEL-GJZGRUSLSA-N 414.387 3.627 0 1 HHAF O=C(NC[C@@H]1CCO1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772649040 MOUFNZPMTXIXBE-HNNXBMFYSA-N 403.360 3.960 0 1 HHAF CO[C@@]1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)C(=O)O)C(=O)O1 2356322936 DQHIGCCLMVVSPZ-QFIPXVFZSA-N 402.443 3.918 0 1 HHAF CC[C@H](C[C@H](CC=C[C@@H](O)c1ccc(O)cc1)S(=O)(=O)O)c1ccc(O)cc1 2356818366 DTCNCUANKHRPPV-GQWLDOHISA-N 406.500 3.918 0 1 HHAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2CCCCC2=O)cc1 12224857 GDIGYZGCJSKALF-FQEVSTJZSA-N 408.546 3.676 0 3 HHAF COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc5c(c4)OCO5)C3)n2)cc1 201454394 PSRJHXBHZMKDDV-OAHLLOKOSA-N 422.441 3.885 0 3 HHAF CN(Cc1ccccc1)C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12571591 AIKBTPVUMLTKMT-AGXSTUJCSA-N 420.347 3.922 0 1 HHAF CCCn1nc(C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13760988 DAQKOSAHXFQTFV-UHFFFAOYSA-N 402.458 3.738 0 1 HHAF COc1cccc(NC(=O)c2cc(OCCCN(C)C)nn2Cc2ccccc2)c1 26026235 NRUKEFAMBBSMQV-UHFFFAOYSA-N 408.502 3.523 0 1 HHAF CC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cccc(Br)c3)cc2c1 40861068 CLUZCILCAADKKG-UHFFFAOYSA-N 417.211 3.838 0 1 HHAF COC[C@H](C)Oc1cc(CCc2ccccc2OC)cc(C(=O)Nc2ccn(C)n2)c1 95597151 KCQVFMHTFOAUGB-KRWDZBQOSA-N 423.513 3.880 0 1 HHAF COc1ccccc1OCCNC[C@@H](O)COc1ccc2c(c1)[nH]c1ccccc12 96939517 XEFRSGKEULMMEE-QGZVFWFLSA-N 406.482 3.738 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N3C(=O)CC[C@H]3C)c2)nc1 113544980 MDFWHNITPSMTGM-SJORKVTESA-N 415.497 3.853 0 1 HHAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)c1 118521206 UNIMPGVNGHKXEY-UHFFFAOYSA-N 423.420 3.891 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cn1 141065704 ACZAFEQDAPBKEG-PMACEKPBSA-N 407.470 3.657 0 1 HHAF COc1cccc(CN(C)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1 143875813 MQKDJJATHQERPZ-UHFFFAOYSA-N 423.517 3.690 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 586958091 GASDWOWESJHFFH-KKXDTOCCSA-N 400.479 3.792 0 1 HHAF CNS(=O)(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586994576 XJOIOXPWDMEUOT-UHFFFAOYSA-N 416.458 3.727 0 1 HHAF O=C(CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023784 ITVSRBZFWWVAGW-UHFFFAOYSA-N 422.367 3.604 0 1 HHAF N[C@H](Cc1cscn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587030057 ZKNQZUWBVWQQHE-SECBINFHSA-N 407.215 3.923 0 1 HHAF Cc1nc2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc2cc1Br 587110785 BXSPWZWIPMXAPM-UHFFFAOYSA-N 413.197 3.978 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 587125879 HGTXXMVEIBVXAL-HZGVNTEJSA-N 401.190 3.891 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(CC(=O)O)cc21 587408984 SFGZTWZAUYCMEA-RUZDIDTESA-N 413.429 3.658 0 1 HHAF COc1cc2c3c(c1)O[C@@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587432450 LXHUEAMICVKNSC-SJZFEPBNSA-N 417.502 3.521 0 1 HHAF CCOC(=O)CCOCCCOCCc1nc2cc(C)c(Br)cc2[nH]1 587566438 MPRZMDSMEJTDMR-UHFFFAOYSA-N 413.312 3.553 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 587735513 QDCVKGAMXJQSDT-XTZNXHDOSA-N 405.246 3.672 0 1 HHAF COC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587791360 HRZLNKNRVYFBMP-JEOXALJRSA-N 408.267 3.764 0 1 HHAF COc1nc(N(C)C)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587852101 KLCDNZGZMRPVRE-SDBXPKJASA-N 400.317 3.743 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnnn1-c1ccccc1 587866815 QCQGXJKVUBPBOE-UHFFFAOYSA-N 400.364 3.933 0 1 HHAF CCOC(=O)[C@]1(c2cccc(F)c2C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962766653 OTGZPQZGEOAPAC-FXAWDEMLSA-N 409.379 3.587 0 1 HHAF Cc1ccc(C)c([C@]2(CO)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962922522 CZKUPYQTGWXQNG-ZCYQVOJMSA-N 419.477 3.636 0 1 HHAF COc1ccc2c(c1)[C@@]1(CCCc3nc(N)ncc31)N(Cc1ccc(F)cc1)CC2 963305389 XNWJASYLSLRPLR-XMMPIXPASA-N 404.489 3.845 0 1 HHAF O=C1CCc2ccc(OCCCCCCN3CCN(c4ccccn4)CC3)cc2N1 1772634686 QXHNWIXSJYHTMM-UHFFFAOYSA-N 408.546 3.728 0 1 HHAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@H](COc1ccc3c(c1)OC(=O)CC3)[C@@]2(C)O 2356684092 LMBYKBUOKRNKSI-XIJVVSEVSA-N 402.531 3.881 0 1 HHAF CSCC[C@H](c1nnnn1C(C)(C)C)N1CCN(C/C=C/c2ccccc2)CC1 95571310 QGKIJBWYRRPJCN-OJLWIZQOSA-N 414.623 3.553 0 3 HHAF CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 11661229 RGLTXRFAEREOPN-MRXNPFEDSA-N 403.498 3.878 0 1 HHAF COc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 13732855 KYRUTHCQKFYOBC-JOCHJYFZSA-N 414.465 3.657 0 1 HHAF COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@H]4[C@H](C2)N(C)CC[C@]341 26003501 RBQKCFLDNBVADS-GLSIDGFDSA-N 417.549 3.992 0 1 HHAF O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 28378020 WDOKPGCUULCOLP-WYULLOFSSA-N 424.921 3.603 0 1 HHAF Cc1cc(CCC(=O)O)c2c(c1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 28769693 BZHRYTSLTBGVRX-KRWDZBQOSA-N 407.919 3.501 0 1 HHAF CCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I 36443914 VXHRYYJRPBBRRE-ABFRBSLYSA-N 413.299 3.593 0 1 HHAF CN1CCN(c2nc(NCc3ccc(F)c(F)c3)c3cc(Cl)ccc3n2)CC1 40423554 SMKOZZWIBRGRQG-UHFFFAOYSA-N 403.864 3.925 0 1 HHAF Cc1cc(C)c(C2=NO[C@H](Cn3cnc4c(N5CCCCC5)ncnc43)C2)c(C)c1 49015728 FFBNKDKGKJHHMM-SFHVURJKSA-N 404.518 3.935 0 1 HHAF O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 73224771 KZWACXAMTSGJSU-VOIUYBSRSA-N 420.944 3.787 0 1 HHAF O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1csc(-c2ccc(Cl)cc2)n1 82085902 XQPOGIQVLSJCBP-INIZCTEOSA-N 416.886 3.863 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 88260820 GPJZDFFHRGHLEJ-LEWJYISDSA-N 406.979 3.769 0 1 HHAF CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccnc4)cc3)cc2S1(=O)=O 95605798 FYFCQQWPYIPZHB-INIZCTEOSA-N 414.508 3.845 0 1 HHAF O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95794859 LNSPIUBOGIZHGZ-RBUKOAKNSA-N 410.480 3.560 0 1 HHAF COc1cccc([C@H]2/C(=C(\O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC 101720616 JFZWBTWBSSDBMW-PMIVHWTLSA-N 406.442 3.977 0 1 HHAF CCS(=O)(=O)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 103294940 AQKDEQOGDLMTEG-UHFFFAOYSA-N 424.507 3.799 0 1 HHAF Cc1cc(C#N)cc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1 205739575 LCRPTZQRDMYLHU-UHFFFAOYSA-N 412.496 3.655 0 1 HHAF COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1OCCN1CCOCC1 299818982 BTEDAZJXTAYRFO-LDADJPATSA-N 414.889 3.552 0 1 HHAF Nc1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@H](O)[C@H]2Cc2ccccc2)c1 299847639 JZUOZVFRPLKQLG-SDHSZQHLSA-N 415.537 3.768 0 1 HHAF COc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cn1 587006387 MSMWUXXQPYCGNR-UHFFFAOYSA-N 411.259 3.606 0 1 HHAF O=C(CCc1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023491 CXLCLZOIGPRHBL-UHFFFAOYSA-N 420.285 3.750 0 1 HHAF COC(=O)c1cccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc12 587125809 RUQVGXGFGLEQFH-UHFFFAOYSA-N 413.377 3.586 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)Nc3ccccn3)cc1)O2 587389444 KOOJVSHODDSQGG-FQEVSTJZSA-N 403.438 3.696 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn3c(=O)c4ccccc4[nH]c13)CC2=O 587479949 BGFOQZQLLHKRPH-IBGZPJMESA-N 403.438 3.849 0 1 HHAF Nc1c([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc(Cl)nc1Cl 962661820 IDFNOTGAFNTAIK-OXQOHEQNSA-N 417.296 3.707 0 1 HHAF CC(C)(C)OC(=O)N1CCC(Cl)=C([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)C1 962916412 DEAZQUUQAVPNQU-IRXDYDNUSA-N 410.873 3.599 0 1 HHAF CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc21 1857533617 ZNPXIFBLNMGTBT-UHFFFAOYSA-N 403.486 3.788 0 1 HHAF CC(=O)Nc1nc(C)c(-c2csc(N(CCO)c3cccc(C(C)=O)c3)n2)s1 1857586206 ZAAVGWLFVJKADF-UHFFFAOYSA-N 416.528 3.866 0 1 HHAF O=C1C(=O)N(CCCCN2C(=O)C(=O)c3cc(Cl)ccc32)c2ccc(Cl)cc21 1857770080 XVHRACDBCBQVJA-UHFFFAOYSA-N 417.248 3.532 0 1 HHAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)[C@@H]1C[C@H](C(C)=O)[C@@]2(C)O 2356411166 JFXHBZJISWEQOJ-FSIKPUFMSA-N 422.562 3.846 0 1 HHAF COC(=O)N[C@H](C=Cc1ccccc1)[C@]1(C)C(=O)O[C@H](CCc2ccccc2)C[C@@H]1O 2356696833 VJDFRABJMBBXJW-APDHKMKFSA-N 423.509 3.740 0 1 HHAF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)Cl)O1 2356847653 OYOOMOHVUZZPOK-GZZORMBGSA-N 401.035 3.695 0 1 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCCc2ccccc2)O3)cc1 61902429 ABNXOBXCZHJWRB-RUZDIDTESA-N 415.493 3.760 0 3 HHAF Fc1ccccc1[C@@H]1C[C@@H](c2ccc(I)cc2)Nc2nnnn21 2916483 LLTFHUDKIIVTOG-GJZGRUSLSA-N 421.217 3.563 0 1 HHAF COc1ccc(-n2c(SCC(=O)NC3CCCC3)nc3ccsc3c2=O)cc1 2925271 YHUXPLOUBKATTH-UHFFFAOYSA-N 415.540 3.607 0 1 HHAF Cc1noc(C)c1C(=O)N1CCC2(CCCN(C(=O)Nc3cccc(F)c3)C2)CC1 4238037 JEXPIPYAMSQYLX-UHFFFAOYSA-N 414.481 3.981 0 1 HHAF O=C(c1ccccc1)N1CCN(C(=O)[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 103231653 JDTQYAMKPPWYQG-JOCHJYFZSA-N 419.912 3.852 0 1 HHAF COC(=O)CN1C(=O)C2(CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 28528580 GSLPZHCOJZRJIT-VAMGGRTRSA-N 410.558 3.899 0 1 HHAF CC(C)(Cc1ccc(C(C)(C)C)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 45388845 IAFVIBPEINGNAY-FQEVSTJZSA-N 412.530 3.665 0 1 HHAF CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)OCO3)n(-c2cccc(F)c2)n1 1911583445 YYBYVKHZRNXMLI-UHFFFAOYSA-N 409.461 3.897 0 1 HHAF CCCN(Cc1ccc(CC)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40405003 DPPCGBXBXURNFM-HSZRJFAPSA-N 414.500 3.919 0 1 HHAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CCCCC1 149349197 IIVBNWXBONBKKG-SFHVURJKSA-N 400.544 3.750 0 1 HHAF C[C@@H]1O[C@H]1[C@@H]1C[C@@H]1C1=C(Br)[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 238770412 DOBIJRXDCBLKRN-IDBAMAGHSA-N 404.098 3.636 0 1 HHAF 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CCOC(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585940 ITEWEDNYEINEDC-NZQKXSOJSA-N 405.406 3.598 0 1 HHAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c[nH]c(=N)[nH]c-4n3)cs2)cc1 587014025 HCZXLKBDVDEOLL-UHFFFAOYSA-N 423.502 3.778 0 1 HHAF COc1c(F)ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1N 587132609 FYAQFORAOUQWEC-UHFFFAOYSA-N 416.048 3.880 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 587182011 KQWVYSZHWFWBIP-LURJTMIESA-N 422.057 3.984 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 587387317 ORPWMXFWQWJNQR-UZLBHIALSA-N 418.534 3.869 0 1 HHAF CC1=C(c2ccc3nc(Cc4ccc(Br)c(C)c4)[nH]c3c2)NNC(=O)C1 586977519 QFRNCLBHOJSSEJ-UHFFFAOYSA-N 411.303 3.980 0 1 HHAF COc1ccccc1[C@@]1(c2nnc(C)o2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962572746 QGWQSYWCBGSQSD-FATZIPQQSA-N 409.486 3.572 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(Br)ccc2N2CCCC2)N1 962915183 UJMQGFBLAWUWHM-QFBILLFUSA-N 419.294 3.877 0 1 HHAF Cc1[nH]c2c(c1C(=O)O)[C@]1(C[C@H](c3ccccc3)C2)NCCc2nc3ccccn3c21 962988442 OBTMMABKYHYOFY-NSYGIPOTSA-N 412.493 3.788 0 1 HHAF COc1ccc(C2=C[C@@]3(c4nn(C)cc4CCN3C)c3c(OC)cccc3O2)cc1 963954016 FYAZUWJEBROOIF-DEOSSOPVSA-N 403.482 3.602 0 1 HHAF C[C@]1(c2cnn(-c3ccccc3)c2F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976229 ZICQWUJLUJLBBD-FOIQADDNSA-N 421.806 3.805 0 1 HHAF CS(=O)(=O)Nc1ccc2c3c(ccc2c1)O[C@H](c1cc(F)c(F)cc1F)[C@@H](N)C3 1772626433 WVIFQSHXWACPEI-AZUAARDMSA-N 422.428 3.632 0 1 HHAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066857 VMEPYGSAOZQVAK-QGZVFWFLSA-N 415.902 3.680 0 3 HHAF CCCc1cc(O)cc(OC)c1C(=O)Oc1c(OC)cc(CCC)c(C(=O)O)c1O 14695481 PMTPDCTYVRVNCB-UHFFFAOYSA-N 418.442 3.937 0 1 HHAF biogenic O=C1N[C@H](c2ccccn2)CC[C@H]1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 209076069 SQYMXIQFTGVGME-WBVHZDCISA-N 403.404 3.647 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc([C@@H](O)CCO)cc21 1857612393 AOIWYHXSXGWTED-QHCPKHFHSA-N 402.494 3.756 0 1 HHAF COc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1OC 3038648 SWVMATFAKLONIG-OGRDWSCISA-N 414.546 3.937 0 1 HHAF CCN(CC)CCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O 5807605 UIVQCVUGAFSLNG-XAISMOLKSA-N 412.574 3.858 0 1 HHAF CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](C)C3)c2n1Cc1cccnc1 11839532 UZIMPAFOYZDKFB-INIZCTEOSA-N 419.529 3.873 0 1 HHAF CN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccccc4)c(Br)cc23)CC1 13538563 MCGWMMNJZVZFCG-UHFFFAOYSA-N 414.307 3.668 0 1 HHAF C[C@](Cc1ccccc1)(NC(=O)CCCOc1ccc(Cl)cc1Cl)C(N)=O 26398681 ACDCKSXPKHRAPK-HXUWFJFHSA-N 409.313 3.755 0 1 HHAF O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1 30781926 BYESWSQDZBTENI-UHFFFAOYSA-N 416.260 3.974 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(C(=O)CCN3CCCC3)cc1)C2 40393463 INFNWACZAPRBOO-HSZRJFAPSA-N 409.482 3.559 0 1 HHAF COC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1C(=O)c1ccc2c(c1)CCCC2 45283460 RLHQYGWIERCVAQ-UHFFFAOYSA-N 405.450 3.931 0 1 HHAF Cc1ccc(C2=NN[C@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 49045770 GJXRCQUWMGJZHI-SGIREYDYSA-N 400.326 3.906 0 1 HHAF c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1 73311976 NUJOTGYKFPUQJP-UHFFFAOYSA-N 402.502 3.992 0 1 HHAF CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 82069642 XAAVSOIXUJZJPW-GOSISDBHSA-N 414.502 3.862 0 1 HHAF O=C(Nc1ccccc1)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1 95574480 RQPNQHQLEYYZLR-IBGZPJMESA-N 408.458 3.659 0 1 HHAF CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](O)C(F)(F)F 96177807 NVRIZFZJZGOIOM-UKRRQHHQSA-N 423.443 3.528 0 1 HHAF CN1CCN(c2ccc(-c3cnc4c(-c5ccnc(Cl)c5)cnn4c3)cc2)CC1 96270784 LTJBLZWXRYFCGB-UHFFFAOYSA-N 404.905 3.864 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCCC23CCNCC3)cc1)N1Cc2ccc(F)cc2C1 166030848 HCZBGYRTYMTTEJ-UHFFFAOYSA-N 422.504 3.732 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OC/C=C/c1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 169298844 UASJKQINROBGIC-FYLCUOTBSA-N 405.494 3.951 0 1 HHAF COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694965 FOVHZEYFEFEMLU-IRXDYDNUSA-N 412.511 3.701 0 1 HHAF COc1ccc(Cl)cc1NC[C@@H]1[C@H](c2ccc(S(=O)(=O)NO)cc2)C1(C)C 208054477 SRVPIZHBQNKZSO-QAPCUYQASA-N 410.923 3.868 0 1 HHAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 586914746 AZWFYBSGZARTJB-UHFFFAOYSA-N 403.891 3.911 0 1 HHAF CN(Cc1nc2cccc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929027 PNDGNWKSVUVGRE-UHFFFAOYSA-N 414.712 3.800 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 587043324 PGYFIWDAKVGBKZ-MRXNPFEDSA-N 415.446 3.687 0 1 HHAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(I)cnc(Cl)c2[nH]1 587087230 CDRNTPOTICPYLU-LURJTMIESA-N 424.620 3.966 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cncc(Br)c3[nH]2)C(F)(F)C1 587133101 XCERKDWMKBCVKH-QMMMGPOBSA-N 403.227 3.690 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCC(O)CC1 587237198 MNSROZRCGKKMJS-UHFFFAOYSA-N 400.401 3.632 0 1 HHAF CNC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341760 YHOOQJWUWRQBFG-VWNXMTODSA-N 405.425 3.922 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587351180 YYOXJMSGUMUBKI-OFNKIYASSA-N 401.397 3.952 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 587387315 ORPWMXFWQWJNQR-OXJNMPFZSA-N 418.534 3.869 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4C(=O)c4cc(C)cc(O)c41)[C@@H](C2)C3=O 587449254 IRDHNMBGXXYLRH-LMKMVOKYSA-N 414.413 3.650 0 1 HHAF Cn1c(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549894 YTDHOHZGZVOXMN-WMLDXEAASA-N 401.216 3.591 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN2C(=O)COc3ccccc32)N1 587770323 PUZMBULFOQMFCU-FZMZJTMJSA-N 405.267 3.589 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCNC(=O)OC(C)(C)C 587868134 VHEZCXWYLGWYAC-UHFFFAOYSA-N 414.384 3.528 0 1 HHAF COc1ccccc1[C@@]1(c2cccc(OC(C)=O)c2)NCCc2c(C(=O)O)cccc21 963136094 XYWUORSQZKKNDN-VWLOTQADSA-N 417.461 3.756 0 1 HHAF N=c1[nH]c2ccc(C(=O)NCc3ccc(C(=O)NCc4ccccc4)cc3)cc2s1 1857608911 BPMALYBQBZSLEG-UHFFFAOYSA-N 416.506 3.569 0 1 HHAF O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@H]4CCNC[C@@H]4F)cc3c2)c2n1CCC2 1911580581 WLDNDKUPNXWOSV-WMZOPIPTSA-N 420.410 3.703 0 1 HHAF COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc(C)cc3F)C[C@H]2C)c(F)c1 1911585546 DLBBXAJBBGYUEW-HUUCEWRRSA-N 402.441 3.657 0 1 HHAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC[C@H]2CCCO2)CC1 5043205 BJACUCGKWLTKHA-LJQANCHMSA-N 417.937 3.811 0 3 HHAF COc1ccc(CNC(=O)Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)cc1 61926885 OOTVUEYWEAFQEL-KRWDZBQOSA-N 400.479 3.855 0 3 HHAF Cc1ccc(F)cc1C(=O)N1CCOC[C@H]1c1cc(C(=O)Nc2ccccc2)no1 61927408 SKJRSDZOZVPKHX-IBGZPJMESA-N 409.417 3.588 0 3 HHAF O=C1COCc2ccc(-c3cccc(C(F)(F)F)c3)cc2N1CCN1CCOCC1 205221137 ZZKZXEDCMGBHQA-UHFFFAOYSA-N 420.431 3.568 0 3 HHAF O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1C(=O)OC[C@@H]1CCCO1 1233701 VWJCKJXYRBQCHE-ULQDDVLXSA-N 408.292 3.692 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN(CC)CC)cc1 4049131 AKZHVYPTJXQLKZ-GGAORHGYSA-N 409.530 3.635 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NC[C@@H](O)CC 4054601 BMSXVYQZQMJYNS-SCWSEQNSSA-N 416.905 3.718 0 1 HHAF CN(Cc1ccco1)c1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12 4257383 WIDSZGSCOFPKSO-UHFFFAOYSA-N 408.483 3.898 0 1 HHAF COc1cc(-c2nn(CNCCc3ccccc3)c(=S)o2)cc(OC)c1OC 103228944 QWCJUGCESJNSDQ-UHFFFAOYSA-N 401.488 3.688 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)n1ccc2c(N3CCNCC3)c(Cl)ccc21 28523368 BAANHTOIHZPKBV-UHFFFAOYSA-N 410.326 3.595 0 1 HHAF O=C(N[C@H]1CN(CC2CCCCC2)CCC[C@@H]1O)c1ccc(OCC2CC2)cc1 2356859604 SWFZWXNYZVHZJL-GOTSBHOMSA-N 400.563 3.611 0 1 HHAF C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 28523479 PUQMBDFIIVFHRS-VNYVSCHHSA-N 414.505 3.739 0 1 HHAF COc1c(C)c(OC)c(-c2c(O)c(C(C)=O)c(OC)c(C)c2OC)c(O)c1C(C)=O 6068729 PDJMCBVRNSWEOY-UHFFFAOYSA-N 418.442 3.821 0 1 HHAF biogenic C[C@H]1c2nnn(-c3ncccn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 218475990 JISUUUIVIFZISP-JTQLQIEISA-N 420.782 3.917 0 1 HHAF Cc1cc(C)nc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@@H]3C)n1 225991547 BXJQCWDMDYALGW-GFCCVEGCSA-N 417.300 3.740 0 1 HHAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCc1ccccn1 82082801 LZWHLGFBBZVSLP-LJQANCHMSA-N 424.526 3.822 0 1 HHAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCC1CCCC1)CC3 82196037 QBRMIPIMABKADI-UHFFFAOYSA-N 424.570 3.769 0 1 HHAF COCc1ccnc(-c2ccnc(Nc3ccc4cc(C(=O)N(C)C)n(C)c4c3)n2)c1 144296178 CMBCNNAUNWUGBO-UHFFFAOYSA-N 416.485 3.622 0 1 HHAF COc1cc(/C=C/CO)ccc1O[C@H](C)[C@H](OC(C)=O)c1ccc2c(c1)OCO2 238775322 YKCQRENZSQIALG-BKEYBNDJSA-N 400.427 3.501 0 1 HHAF COc1ccccc1C(=O)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 144423958 JAEUQSHRRMALFD-UHFFFAOYSA-N 403.486 3.707 0 1 HHAF C[C@@H](CO)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147586268 TUEHGYXYUFBFQH-ZDUSSCGKSA-N 405.903 3.658 0 1 HHAF COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N23)c1 26771682 LTWBONAGKMEOFZ-QPPBQGQZSA-N 417.509 3.517 0 1 HHAF biogenic COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3OC)n2)cc1 299852355 QTYHIDADAYBDHC-UHFFFAOYSA-N 401.426 3.599 0 1 HHAF CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 587952579 UCGSCIONWMMYCB-HIFPTAJRSA-N 420.453 3.934 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1CCC(C(=O)OCC)CC1)CC2=O 587474334 GPGOHXNHKZYPPN-FQEVSTJZSA-N 403.519 3.732 0 1 HHAF Cc1cc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123550 DLMPAAOVDHIWKD-CQSZACIVSA-N 413.381 3.524 0 1 HHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587232868 CGQIBTGHSSIIMU-DLBZAZTESA-N 400.523 3.556 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(N)nc1N1CCCC1)CC2=O 587463007 UEQVMNROOCOZCG-HNNXBMFYSA-N 402.882 3.677 0 1 HHAF CN(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929629 XAJCVGQLYUTJLD-UHFFFAOYSA-N 405.694 3.739 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cn2)N1 587682918 MFGYJKRTXJUZSM-UHLUBPPHSA-N 401.077 3.764 0 1 HHAF CC1=C(c2ccc3nc(-c4sc(Br)nc4C)[nH]c3c2)NNC(=O)C1 587015181 ZTCFGQDETFNWBN-UHFFFAOYSA-N 404.293 3.513 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCc1cc(F)c(F)cc12 963155967 ZOEUMKQKBPJQCU-YWZLYKJASA-N 422.453 3.858 0 1 HHAF O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1 5139816 RMHLYODVQGTMOO-YADHBBJMSA-N 405.498 3.619 0 1 HHAF Nc1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 13487919 DAGCAMFZZCLQGL-OAHLLOKOSA-N 423.366 3.875 0 1 HHAF CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 169300081 PMJIUNUHZLTRMR-HDIOYNLWSA-N 401.507 3.641 0 1 HHAF COc1cc2onc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2cc1OC 206030047 RKQWEZVVEXSXJM-OAHLLOKOSA-N 406.435 3.510 0 3 HHAF C[S@](=O)c1ccc(Nc2cnc3ccc(-c4cccc([S@](C)=O)c4)nn23)cc1 1857558603 NNVPUEZNNZTHDO-NSOVKSMOSA-N 410.524 3.615 0 1 HHAF CC[C@H](C)NC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 2457851 MXWAGIBJADLENW-HXPMCKFVSA-N 418.291 3.561 0 1 HHAF COc1ccc(-n2c3cssc-3c(NC(=O)C(F)(F)F)c2=O)c(OC)c1 28714457 ROTYUJKMJRZYAK-UHFFFAOYSA-N 404.391 3.583 0 1 HHAF COc1cc([C@H]2SC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC 27518320 CASMNCAVUPKQRX-OAQYLSRUSA-N 415.515 3.734 0 1 HHAF CCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccc(O)cc2)c(=O)[nH]c1=O 28125193 FRZCRCSOCUJYDU-AATRIKPKSA-N 420.509 3.700 0 1 HHAF CCC[C@@H](C)Oc1cccc(N(Cc2cncnc2)S(=O)(=O)CC(F)(F)F)c1 28392280 YGPXEJFAKGUINH-CQSZACIVSA-N 417.453 3.943 0 1 HHAF C[C@H](O)C=C[C@](C)(O)[C@@H]1CC[C@@H]2C=C([C@@H]3CC[C@@H]4C(=O)C[C@H](O)CC=C43)C[C@@]21C 2356725356 MCYUJBHXAJEPHI-RBJIPRPWSA-N 400.559 3.713 0 1 HHAF CCOCc1c(O)cc(C)c2c1Oc1cc3c(c(C)c1OC2=O)C[C@@H](O)C(C)(C)O3 2356855345 RCLMCNQLMYPAFZ-GOSISDBHSA-N 414.454 3.945 0 1 HHAF CC(C)C(=O)N(C[C@H]1CCCO1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 36184788 WCKOTYXZYFJSGH-SECBINFHSA-N 420.375 3.623 0 1 HHAF NCCc1c([C@@H](CN)c2c[nH]c3cc(Br)ccc23)[nH]c2ccc(O)cc12 15253036 XDYZPDVYNZANQI-INIZCTEOSA-N 413.319 3.709 0 1 HHAF biogenic O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC[C@H](F)C3)co2)cc1 40567692 KBFSRQVQIGIFSO-FQEVSTJZSA-N 421.472 3.775 0 1 HHAF Cc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3cccc(C)c3)n2)cc1 82145375 DUCOLPAQWVUGKR-UHFFFAOYSA-N 416.525 3.887 0 1 HHAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCN1CCCC1=O 82186234 GVGMLMLIFGMLJE-UHFFFAOYSA-N 422.533 3.814 0 1 HHAF CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1cccc(Cl)c1)C2 95578449 QENRWPSMKKXLIW-UHFFFAOYSA-N 408.845 3.605 0 1 HHAF CN[C@@H]1C[C@@H](c2c(OC)cccc2OC)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 299870533 WIOKERJYWBGMGL-CVEARBPZSA-N 424.419 3.664 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCOC3)c(=O)c3ccccc23)c(O)c1 587664613 GDQIYVIKVHOKJH-INIZCTEOSA-N 421.497 3.682 0 1 HHAF COC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587003494 LATSAHLDNLCJQR-LLVKDONJSA-N 415.243 3.747 0 1 HHAF CCOC(=O)CCC[C@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587521672 DXMCMYANGJIZCT-HSZRJFAPSA-N 402.487 3.956 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1N1CCOCC1 587595138 OVBKFVMURPNFGP-ZJSXRUAMSA-N 403.434 3.932 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O 587418577 AAKIXKAKUHBQQU-YWZLYKJASA-N 415.371 3.843 0 1 HHAF CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)cc(Br)c21 587372000 NTPSCPWUJRAUJB-HXUWFJFHSA-N 415.287 3.875 0 1 HHAF Cc1cc(Br)c2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2c1 587023478 CJIMOLROOMKLSX-UHFFFAOYSA-N 424.324 4.423 0 1 HHAF CN1C(C(=O)O)=C[C@@]2(c3ccccc31)c1ccsc1CCN2Cc1cccnc1 963001863 XYIXRFUICMGARN-HSZRJFAPSA-N 403.507 3.863 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccccc2-c2ncc[nH]2)N1 962642944 RQIKIDLTTIOHCO-YOEHRIQHSA-N 403.360 3.664 0 1 HHAF Cc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCOCC2)cc1 1772645990 FNFUIRQBNLVMLI-UHFFFAOYSA-N 402.903 3.866 0 1 HHAF CN(Cc1ccon1)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 12612415 DDRVYULGHQVEFP-UHFFFAOYSA-N 402.454 3.907 0 3 HHAF CC(=O)Oc1cccc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1C 206023755 UWJGPIREQOGLQT-KDOFPFPSSA-N 416.836 3.588 0 3 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4208403 UDDSWRHQPJXUDV-ONTIZHBOSA-N 424.884 3.745 0 1 HHAF CCN1c2ncc(CCc3ccnc(CO)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 13780558 NVNZPDYBQNEBRX-UHFFFAOYSA-N 423.904 3.551 0 1 HHAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1cccc(F)c1 28702112 NWEGTKILOGIJQG-SFHVURJKSA-N 412.421 3.577 0 1 HHAF COc1ccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)cc1 28823841 JZLYPFHPTQSICE-BEFAXECRSA-N 400.404 3.501 0 1 HHAF Cc1ccccc1O[C@@H](c1cccc(I)c1)[C@H]1CNCCO1 28881140 GUJGIDDFMFZKIV-MSOLQXFVSA-N 409.267 3.708 0 1 HHAF in-vivo CCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 73274736 NZGXLPDVPVIGQT-UHFFFAOYSA-N 420.439 3.858 0 1 HHAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(Br)cc2)ON1C 95592674 LDYALLKTSDKSBJ-ZIAGYGMSSA-N 421.228 3.616 0 1 HHAF O=C(c1ccccc1F)c1ccc(F)cc1/C=C\OCCN1CCC[C@@H](C(=O)O)C1 96923636 YHZWVKZUCDXZTB-QJWNTBNXSA-N 415.436 3.980 0 1 HHAF O=S1(=O)CCc2ccccc2N1C[C@H](O)Cn1c2ccccc2c2ccccc21 148436806 FFRBXZSYPGWCDB-GOSISDBHSA-N 406.507 3.548 0 1 HHAF O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1 149885261 SFFQUAOVCNLRED-LJQANCHMSA-N 400.841 3.578 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 169297230 LPRDKGYMPJZAIG-HETMTNPWSA-N 402.425 3.636 0 1 HHAF CCCCCc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 169322266 LYCFHLBMWDSWJD-IBGZPJMESA-N 419.481 3.564 0 1 HHAF N[C@H]1C[C@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710684 DFGNCMNMKDFNQP-KSZLIROESA-N 407.495 3.831 0 1 HHAF O[C@H](COc1cccc(-c2ccc3c(c2)OCO3)c1)CN1CCc2ccccc2C1 218388873 BTGKIVTXNZUPCZ-QFIPXVFZSA-N 403.478 3.880 0 1 HHAF Clc1c(CNc2nccc(Nc3cc([C@@H]4CCCO4)[nH]n3)n2)ccc2[nH]cnc12 220656807 HQXOLFDJJIERLJ-AWEZNQCLSA-N 410.869 3.937 0 1 HHAF COc1cc(-c2nc(Nc3cc(N(C)C)ccc3F)n(C)n2)ccc1-n1cnc(C)c1 299820994 JDKUGBDQALUAPJ-UHFFFAOYSA-N 421.480 3.934 0 1 HHAF COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)cc1 299884852 UOPHIWXSSCEKEE-RSDNTHMSSA-N 413.470 3.797 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(CCc4cccc(O)c4)[nH]c3c2)cc1 586895833 BDCFQGBNKQBVIM-UHFFFAOYSA-N 423.494 3.863 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2Cl)c1 587160801 HAGRFAXCTGLCSX-UHFFFAOYSA-N 411.803 3.987 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3c(C(=O)O)noc3C)c1)O2 587395873 VKNVOIGIXAUZPY-LJQANCHMSA-N 408.410 3.857 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587452222 JVLJBSQNGRCYMQ-RLSLOFABSA-N 416.429 3.926 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)OCC)Oc3cc(O)ccc31)CC2=O 587485615 IXBOFNHUGXIPBD-HSZRJFAPSA-N 410.422 3.750 0 1 HHAF Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587537659 ADNOORMBLRDKGL-CRAIPNDOSA-N 413.227 3.835 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccn1)c1ccccn1 587585605 FDEOIWBRIKZVDW-BWKNWUBXSA-N 424.412 3.922 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 587795670 RELOGCNELWWBCI-WLRWDXFRSA-N 408.267 3.849 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 587828766 PQFLRIZDSWJSAO-JEOXALJRSA-N 406.251 3.675 0 1 HHAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833053 FENDHDBESUCKQO-DGIBIBHMSA-N 408.267 3.992 0 1 HHAF C[C@@]1(COC(=O)c2ccccc2N)c2cccc(F)c2CCN1[C@H]1CCSC1 962693764 DDDQWPVDGMMJCK-OYHNWAKOSA-N 400.519 3.844 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033684 UEYOCPWPYPUGDK-GTJPDFRWSA-N 419.308 3.853 0 1 HHAF COc1cc(Br)cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239637 XWAPVERYTAIDJV-MOPGFXCFSA-N 413.271 3.694 0 1 HHAF CCOC(=O)CCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC 1857615729 KUCGWIOXKZPONP-UHFFFAOYSA-N 424.453 3.851 0 1 HHAF O=C(O)C[C@@H]1CCN(C(=O)c2cccc(F)c2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305956 VQXMYGMNUDPWKI-DZGCQCFKSA-N 413.424 3.637 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@H](C)[C@H]2O 2356519209 SEZFWESQHLGCPD-LDLUMPKVSA-N 402.443 3.675 0 1 HHAF COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633361 QAMRDZGBKVMJJI-GUYCJALGSA-N 400.475 3.508 0 1 HHAF C[C@@H](OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1 8662298 RAMFRUQUUHYKGX-OAHLLOKOSA-N 418.478 3.695 0 3 HHAF Oc1cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)cc(C(F)(F)F)c1 103256475 OWROJBLYDNRQSX-UHFFFAOYSA-N 416.359 3.999 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(O)C3)no2)cc1C#N 117468337 DOFGEGUAJDTPNZ-NRFANRHFSA-N 416.481 3.726 0 1 HHAF Cc1nn(-c2cc3nc(S[C@@H](C)C(=O)O)sc3cc2Cl)c(=O)n1C(F)F 103196761 FQIBFLUWSZLXPW-YFKPBYRVSA-N 420.850 3.566 0 1 HHAF CCc1sc(C(=O)N[C@H](CN)Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C 116444875 KQHQBDFPSAGKRW-AWEZNQCLSA-N 420.941 3.803 0 1 HHAF Cn1cc(C2=C(c3c[nH]c4ccc(Br)cc34)C(=O)NC2=O)c2ccccc21 29125869 NRVXSISHLIZVFG-UHFFFAOYSA-N 420.266 3.989 0 1 HHAF C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccoc2)c1 114346957 OIHRDLGLZDFHAD-ZDUSSCGKSA-N 401.426 3.747 0 1 HHAF COCCCC(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 29487920 APCUQDRHGWVSEJ-GETZNYBYSA-N 419.521 3.820 0 1 HHAF O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc(-n2ccccc2=O)cc1 29047268 NQBTZMFLMHINRC-UHFFFAOYSA-N 410.433 3.737 0 1 HHAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCCN2C(=O)c2ccccn2)on1 61898915 GDLNAXGAZKZBKI-LJQANCHMSA-N 408.433 3.506 0 3 HHAF Cc1ccccc1-n1c(=O)n(CCN2CCN(c3ccccc3)CC2)c2ccccc21 40917901 DOKHWFSPWQFHMG-UHFFFAOYSA-N 412.537 3.923 0 1 HHAF Cc1ccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1C#N 220246743 QYOWGSRYYUWDGK-UHFFFAOYSA-N 412.496 3.655 0 1 HHAF CN(C)C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1ccsc12 84672548 FARHIIJFUHOBIH-LJQANCHMSA-N 416.562 3.698 0 1 HHAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2C[C@H]1CN(C1COC1)C2 146505325 IAOWLAIXXAUNAT-KBPBESRZSA-N 421.467 3.561 0 1 HHAF O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@H](c3ccc(-c4ccccc4)cc3)[C@@H](CO)N12 95668743 BQMHFLZDQZXGCU-GSLIJJQTSA-N 416.496 3.664 0 1 HHAF COc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(oc12)CCNC3 147926192 XXGPQBHYKGYMIQ-UHFFFAOYSA-N 411.401 3.939 0 1 HHAF CC1CCC(Oc2ccc(S(C)(=O)=O)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1 146328727 CNZLKNXWPUJEAT-UHFFFAOYSA-N 414.527 3.895 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(CO)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 95558881 IKSFCPMMGSHHDO-PJKONWPJSA-N 419.565 3.964 0 1 HHAF O=C1CN(Cc2ccccc2)C[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 95866223 RXASKZNMLSGTDG-GSLIJJQTSA-N 416.496 3.664 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(=O)(=O)c1ccccc1)(c1ccccc1)O2 587410561 YAWITOFPKDBUCD-HSZRJFAPSA-N 407.491 3.912 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1 587860262 SHLDZCDLRVMNEM-CXAGYDPISA-N 410.301 3.759 0 1 HHAF CN(C)C(=O)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587182939 QPVNVDZXIPATLH-UHFFFAOYSA-N 409.202 3.675 0 1 HHAF COC(=O)c1ccc(C=O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595791 TVVNLXQAIAQDSA-DENIHFKCSA-N 404.374 3.694 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncncc2Br)N1 587675913 BIRAIIVARRUTMH-VXJOIVPMSA-N 415.104 3.938 0 1 HHAF COC(=O)c1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2c1OC 586969993 FGBBVQPAFPKADV-UHFFFAOYSA-N 413.499 3.581 0 1 HHAF NC[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926652 STPRERRRYVOYTF-JTHBVZDNSA-N 424.884 3.639 0 1 HHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(NCCO)c(-c2cccnc2)c1 1772634349 RHRWJIIXWAMLTL-UHFFFAOYSA-N 418.375 3.699 0 1 HHAF Cc1ccc(CN2CC[C@@H](N3CC[C@H](c4ccc(O)c(F)c4)[C@@H](F)C3)C2=O)cc1F 1772649438 YPQRZBTXPBZJBN-JRGCBEDISA-N 418.459 3.907 0 1 HHAF CC1=N[C@H](c2ccccc2)c2cc(Cl)ccc2-n2c1nnc2N1CCN(C)CC1 169316129 YZBJNKWCYLRXDC-HXUWFJFHSA-N 406.921 3.585 0 1 HHAF CNC(=O)c1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)c1 169330386 UUZKGJFXOBCLIV-UHFFFAOYSA-N 403.486 3.765 0 1 HHAF C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cn[nH]c3)nc2n1 169704098 MRVGTQOGHZOPPZ-OAHLLOKOSA-N 401.474 3.948 0 1 HHAF NC(=O)C(CCN1CCN(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 1857600342 FCVOHZRBUCLHDA-UHFFFAOYSA-N 417.528 3.809 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 1857620574 OEDRBBCZYXMNTK-IERDGZPVSA-N 416.518 3.655 0 1 HHAF COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)cc1 13439217 ZWTNWDWPPZZGCJ-IBGZPJMESA-N 405.450 3.797 0 1 HHAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccc(F)cc2)C(=O)O)cc1 13445252 OCKWAYFPIXUTJO-NRFANRHFSA-N 407.441 3.856 0 1 HHAF CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C)cc2)C1=O 13528006 PYHXNLHUWZDWGI-ZJSXRUAMSA-N 401.510 3.961 0 1 HHAF biogenic C[C@H]1[C@H]2CC[C@@](CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)([C@@H]1O)C2(C)C 27308300 WDCPKDGQHJWMLP-HTNCLHIXSA-N 415.599 3.810 0 1 HHAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1ccccc1F 28702106 ZPFDQCHFPWHZIK-GOSISDBHSA-N 412.421 3.577 0 1 HHAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1cccc(C)c1 28702135 UMFFFRFRRSMWEO-IBGZPJMESA-N 408.458 3.746 0 1 HHAF CC(C)(C)CC(=O)OC[C@]1(CO)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O1 40380421 SSQSVBGDCJBGSU-QFJZGMSHSA-N 400.393 3.746 0 1 HHAF CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12 63540202 KKWLJUDRBFHJPA-UHFFFAOYSA-N 424.455 3.877 0 1 HHAF COc1cc(C[C@H](COC(C)=O)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)ccc1O 72106457 TZDZTWKCXMIGJR-RDTXWAMCSA-N 418.486 3.724 0 1 HHAF biogenic,in-vitro Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 72171793 JGSGTTUWKURMHZ-UHFFFAOYSA-N 422.915 3.556 0 1 HHAF COc1cccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)c1 96282547 WBJPWZBTANRGTP-UHFFFAOYSA-N 414.513 3.900 0 1 HHAF CSc1nc(C#CCO)cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12 118749500 AMVYPPAWUFGVKM-UHFFFAOYSA-N 401.495 3.730 0 1 HHAF CS(=O)(=O)N(CC1CCCCC1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 148593087 GZHMELLIVCKQSA-LJQANCHMSA-N 414.571 3.997 0 1 HHAF Cc1nc(CCNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cs1 167167961 RGXKEKNINGMLIB-UHFFFAOYSA-N 406.511 3.972 0 1 HHAF CCOC(=O)CN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 169313814 FFPFPZSCNMVKJQ-VQZRKKFQSA-N 420.303 3.699 0 1 HHAF CC1=Nc2nc(CCCO)nn2[C@@H](c2cccc(C)c2)[C@@H]1C(=O)Nc1ccc(F)cc1 169687787 JDEGATQTPCXFFU-RTWAWAEBSA-N 421.476 3.601 0 1 HHAF COc1cc(CO)cc(OC)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 219435458 HZWWMBPSBWSSBN-INIZCTEOSA-N 401.390 3.597 0 1 HHAF COc1ccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1 299854731 AIEHRBYQUAJZPW-UHFFFAOYSA-N 417.469 3.973 0 1 HHAF O=S(=O)(Cc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 586921757 MKHCQOPTODRBHN-UHFFFAOYSA-N 414.537 3.571 0 1 HHAF CN[C@H](c1cccnc1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587227556 ZSTMLBQBKOJRNO-HXUWFJFHSA-N 412.453 3.992 0 1 HHAF O=C(NC1CC1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587581950 XXRVUORAIGJWSE-REWPJTCUSA-N 401.418 3.987 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1 587599024 YKTSHMCOPPKTHL-QPPBQGQZSA-N 403.434 3.932 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)s1 587615422 WTFRCAAOFLLBEX-REWPJTCUSA-N 423.490 3.989 0 1 HHAF COc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C(=O)O)c(C)o2)cc1OC 621431074 KNLYOUQWXDRVGJ-GOSISDBHSA-N 407.422 3.928 0 1 HHAF CCCOc1ccc([C@]2(c3ccccn3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962911264 ZHSONDRFYZJWCG-GBXCKJPGSA-N 406.457 3.900 0 1 HHAF CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@@H]1NCCc2c(C(=O)O)cccc21 963124388 QABRDESYDVBLSB-NHCUHLMSSA-N 408.498 3.934 0 1 HHAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(C(F)F)c12 1772616256 IMNUAISPAXFACV-HNNXBMFYSA-N 405.405 3.538 0 1 HHAF C[C@@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CCN1 1772653234 BMQCLTSPZXCHIP-CYBMUJFWSA-N 416.403 3.875 0 1 HHAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccc5[nH]ccc45)c(=O)n1c23 1857588832 RXUFUMDQVWYRJO-LBPRGKRZSA-N 405.429 3.765 0 1 HHAF CN[C@@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)Cl)O2)[C@H]2[C@H](O)[C@](C)(NC)CC[C@H]21 2356876582 ZMBBXNFPUQYSFZ-AVDFELNKSA-N 401.035 3.695 0 1 HHAF Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)c1 4093231 MNXKTSBCZZSDQU-UHFFFAOYSA-N 422.529 3.591 0 3 HHAF COc1cc(CNC(=O)c2cc(-c3cc(Cl)ccc3OC)[nH]n2)cc(OC)c1 61903309 CLUBOLDCNQMMAI-UHFFFAOYSA-N 401.850 3.686 0 3 HHAF CCOc1ccc(-n2nc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 2942909 RAPCVNQSYAFTDS-IRXDYDNUSA-N 405.498 3.903 0 1 HHAF COc1ccc(Oc2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(C)c3n2)cc1 4238952 RFXFJKKRUYLVJM-UHFFFAOYSA-N 413.437 3.683 0 1 HHAF COC(=O)C1=C(O)/C(=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)N=C1C 9310154 IORINNYKUSMKJX-XDHOZWIPSA-N 422.437 3.513 0 1 HHAF CNc1cc(OC)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl 27985117 RVBDWZKWSXQLMF-WBVHZDCISA-N 401.938 3.888 0 1 HHAF COc1cccc(Cn2ncc3c4sc(Br)cc4n(C)c3c2=O)c1 36380683 SPXIMGWYLMAPCS-UHFFFAOYSA-N 404.289 3.769 0 1 HHAF 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962693760 DDDQWPVDGMMJCK-IVZQSRNASA-N 400.519 3.844 0 1 HHAF O=C(O)c1ccc2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3cccc(F)c31)c1ccccc1O2 962920815 MFDNSVVOVZUTTK-SBUREZEXSA-N 405.381 3.520 0 1 HHAF COC(=O)C[C@]1(C2CCCC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174152 FQIQSWMBIPHTKD-CRAIPNDOSA-N 419.827 3.906 0 1 HHAF COc1ccc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3ncccc23)cc1N 1911586525 DBTQZEANGMQQOT-UHFFFAOYSA-N 406.442 3.704 0 1 HHAF CC(=CC=CC=CC=C[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C)[C@@H]1O[C@H](C)C=C[C@]1(C)O 2356422552 PZGCPRNZYVNMNV-HLFKPZBDSA-N 412.526 3.853 0 1 HHAF CC(=O)n1cc(CNCCCNC(=O)c2cc(-c3ccccc3)on2)c2ccccc21 201712523 HMYITRIHRHWDTN-UHFFFAOYSA-N 416.481 3.866 0 3 HHAF CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c1 772265 IHTRSECRVIKUEF-PZJWPPBQSA-N 414.889 3.689 0 1 HHAF COC(=O)Cc1c([C@H]2[C@H](CC(=O)OC)c3ccccc3N2C(C)=O)[nH]c2ccccc12 5848221 SKVAQSDBBWNENV-HOYKHHGWSA-N 420.465 3.638 0 1 HHAF O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccccc1)c1ccccc12 6804937 NRZSBSXASODLTG-UHFFFAOYSA-N 415.478 3.722 0 1 HHAF Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccncc2)c(C)c1 11838717 LBKIFVQDEFGMLV-QFIPXVFZSA-N 405.542 3.690 0 1 HHAF O=C(NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)c1cnsn1 11970829 CXCHJDZJURKWJE-MRXNPFEDSA-N 406.442 3.626 0 1 HHAF C[C@H]1CN(Cc2cn3c(-c4cccc(Br)c4)nnc3s2)C[C@@H](C)O1 20151778 GQHSXUWSTJDWSG-TXEJJXNPSA-N 407.337 3.830 0 1 HHAF CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O 26468303 NGCBWFOLJZBGAA-SFHVURJKSA-N 400.406 3.875 0 1 HHAF CCCCCCC(=O)OCC(=O)NC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 26489512 YTRZQPXCORQEIS-PFNDAMSGSA-N 423.550 3.611 0 1 HHAF O=C1c2cc(Br)c(Br)n2[C@H]2C(Cl)(Cl)[C@]23CCCN13 28819703 TXBSLKWTQVBRDL-ZJUUUORDSA-N 414.912 3.730 0 1 HHAF C[C@H]([C@@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(Cl)cc2)CC1 28952123 NFGNMJPMZYHRDW-IVZQSRNASA-N 414.933 3.630 0 1 HHAF Cc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 34636131 JRMFKYXKAZWHKF-UHFFFAOYSA-N 411.575 3.807 0 1 HHAF COc1cc(C(C)C)c2c(=O)oc(-c3cccnc3N3CCC(C(=O)O)CC3)nc2c1 43064114 LAOUGIDYOMHMCF-UHFFFAOYSA-N 423.469 3.683 0 1 HHAF O=C(Nc1cccc(CN2CCN(C(=O)c3ccccc3)CC2)c1)c1cccs1 45201931 TUBLGABLMVZOIH-UHFFFAOYSA-N 405.523 3.958 0 1 HHAF O[C@H](CNCCNC1CC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181371 YAAWHQWIEPUSEU-CQSZACIVSA-N 407.358 3.647 0 1 HHAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)C1 82139772 FAKGXWKYRWBNPY-IAGOWNOFSA-N 412.509 3.770 0 1 HHAF Cn1ccc(-c2cccc(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)n1 84691000 HQDCLIWITZGYCH-QFIPXVFZSA-N 417.538 3.883 0 1 HHAF Cc1ccc(-c2nc3c(c(OC(C)C)n2)CN(C(=O)Nc2cnccc2C)CC3)cn1 95558911 WMHQPGQJBLGVAY-UHFFFAOYSA-N 418.501 3.928 0 1 HHAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(Cc1nc(-c2ccccc2)c[nH]1)C(C)C 95575555 KGIDIAZLXYECSQ-NRFANRHFSA-N 406.530 3.706 0 1 HHAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@H](CO)N3C)cc1 95869170 QKHFOHXBMCTHBV-FGCOXFRFSA-N 406.526 3.863 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620854 TVCWDYMJEXZWQM-GMAHTHKFSA-N 401.510 3.981 0 1 HHAF CC(C)(C)OC(=O)N1CCN(c2cccc3c2NC(=O)[C@H](c2ccccc2)N=C3)CC1 103287174 GYOJKULVANMRRM-NRFANRHFSA-N 420.513 3.856 0 1 HHAF CCCCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 109206709 CRBWSCQTBBPMTG-LEWJYISDSA-N 409.482 3.933 0 1 HHAF Cc1nc(N)cc(OC2CCCCC2)c1CNC(=O)c1cnn(Cc2ccccc2)c1 114078772 ZRENHNGQWBVIAI-UHFFFAOYSA-N 419.529 3.859 0 1 HHAF Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCNC5)c(=O)c2)cn1 115010339 YTYVQVLXVHVFRJ-UHFFFAOYSA-N 414.509 3.647 0 1 HHAF CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F 169308829 BNSGXSJZSVYGHO-UHFFFAOYSA-N 424.885 3.621 0 1 HHAF O=C(O)c1cccc(-c2cc(Nc3cccc(N4C[C@@H]5C[C@H]5C4)n3)c3nccn3n2)c1 207354867 DZXKEQRVODUBFU-IRXDYDNUSA-N 412.453 3.689 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(ncn2-c2ccc(F)cn2)C1 225975790 JVDHNLVRCBJYAL-UHFFFAOYSA-N 408.330 3.763 0 1 HHAF COc1cc(F)c(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)cc1OC 263620567 IRGAIDAWHGYOKD-UHFFFAOYSA-N 419.888 3.846 0 1 HHAF in-vitro CCn1c(NC(C)C)nc2c([C@@H]3CCN(C(=O)c4ccccc4)C3)csc2c1=O 299863580 LDDQCPUHJNDZLS-MRXNPFEDSA-N 410.543 3.928 0 1 HHAF CCO[C@@]1(c2ccc(Br)cc2)Sc2ccccc2-n2c1noc2=O 299865633 OAMJWPLGTPOCHV-KRWDZBQOSA-N 405.273 3.931 0 1 HHAF COc1ccccc1C(=O)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 473087437 JWIKJMNJZBWYTQ-UHFFFAOYSA-N 401.470 3.591 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(C)(C)C)nc2[nH]1 586965393 PJLKRFACBWVLAM-UHFFFAOYSA-N 410.551 3.712 0 1 HHAF O=C(CCc1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024433 ZXSMHOOHXTYFKP-UHFFFAOYSA-N 420.285 3.750 0 1 HHAF COc1cc2c3c(c1)O[C@](CC(=O)Nc1cccnc1)(c1ccccc1)[C@@H](C2)C3=O 587432515 MVVWWMAWXXICDD-YADARESESA-N 400.434 3.762 0 1 HHAF O=C1C[C@]2(C[C@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597066 RWCKDHRLEFALDY-GQOCTPOGSA-N 401.418 3.744 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCOC3)c(=O)c3ccccc23)c(O)c1 587664630 GDQIYVIKVHOKJH-MRXNPFEDSA-N 421.497 3.682 0 1 HHAF Cc1c([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587706997 RWQXEOJQIQRGSH-AYVTZFPOSA-N 406.221 3.970 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2N)OCCO3)N1 587747308 PMZGFFFGBOLUMB-OVWNDWIMSA-N 407.283 3.739 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(N)(=O)=O)cc1 587858831 BZEKDNHBTJOGPH-UHFFFAOYSA-N 412.298 3.892 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1cccc(C)c1 587867602 KXHTYBPCCSSAFO-UHFFFAOYSA-N 404.348 3.560 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@](CC(=O)c1ccc(Cl)cc1)(C(F)F)NCC2 962927358 QPCIQKWZMVPWDZ-OAQYLSRUSA-N 406.860 3.921 0 1 HHAF Nc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(Br)c1 962973341 KHLOEABEZXPSHR-DOMZBBRYSA-N 417.637 3.651 0 1 HHAF CC1(C)[C@@H]([C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)C[C@H]1C(=O)O 963175031 GSTQGHUUJVTFHO-HPRWMNBCSA-N 419.827 3.920 0 1 HHAF CC[C@H](C)SN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 1772652966 LGGHPOBVPAZPLZ-ZDUSSCGKSA-N 419.522 3.742 0 1 HHAF O=C(NCCc1ccc(F)cc1)c1cc2cnccc2n(CCc2ccccc2)c1=O 1857564983 QUPMRQJJIZRFMH-UHFFFAOYSA-N 415.468 3.751 0 1 HHAF COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1OC 3814675 DYBYPXGXLZNZQU-UHFFFAOYSA-N 405.422 3.963 0 1 HHAF CCNC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2 13442710 NKVINPRSSBQELF-UHFFFAOYSA-N 405.907 3.679 0 1 HHAF CC(C)(C)OC(=O)NCCOCCOc1cc2ccccc2c2c1OC(=O)CC2 13560925 WCSRMIWGUYKRBY-UHFFFAOYSA-N 401.459 3.612 0 1 HHAF O=C(O)CCCC[C@H](CCNS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1 13730311 VKSPBMJCOLSERQ-MRXNPFEDSA-N 424.950 3.907 0 1 HHAF CN(C)CCCN(C)c1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1 14944237 OYWFWQBUOPFTNQ-UHFFFAOYSA-N 405.333 3.969 0 1 HHAF CCc1cc2oc(N3CCC(C(=O)N[C@H]4CCC[C@H](CO)C4)CC3)nc2cc1Cl 96271066 GFXZEPCIXZRSES-YOEHRIQHSA-N 419.953 3.927 0 1 HHAF COc1ccccc1OCCNC[C@H](O)COc1ccc2c(c1)[nH]c1ccccc12 96939513 XEFRSGKEULMMEE-KRWDZBQOSA-N 406.482 3.738 0 1 HHAF Nc1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@H](O)[C@@H]2Cc2ccccc2)c1 98084752 JZUOZVFRPLKQLG-DSITVLBTSA-N 415.537 3.768 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OC/C=C/I)[C@H](c1ccccc1)C2 100868897 PTARSFHGDDMYOJ-PSYWSXJRSA-N 411.283 3.745 0 1 HHAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 117694767 KJANZCDWCJPTOV-UHFFFAOYSA-N 413.481 3.617 0 1 HHAF CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C 197676231 VDMGYZRQGVMXIO-NBYUQASBSA-N 418.562 3.613 0 1 HHAF O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2ccc(F)cc2c1N1CCOCC1 201540025 JBPXMEULRIHPOW-UHFFFAOYSA-N 424.856 3.836 0 1 HHAF O=C1[C@H]2Cc3ccc(OCc4ccc(Cl)cc4)cc3CN2C(=O)CN1C1CCCC1 473096082 YEKIDAXFBORJOX-JOCHJYFZSA-N 424.928 3.957 0 1 HHAF C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(C(F)F)c3)ncc2Cl)c1 473107346 INKLRHQSPZLHEE-UHFFFAOYSA-N 419.823 3.624 0 1 HHAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Br)c2[nH]1 586984146 NFEAKGBROIMKTF-JTQLQIEISA-N 414.076 3.865 0 1 HHAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 587200792 PFKPIPOAUVSBJK-UHFFFAOYSA-N 417.267 3.584 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2ccccc21 587412689 OAOUKOXXWHZMLW-QPPBQGQZSA-N 401.418 3.846 0 1 HHAF COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587577150 JFEFSZTZKKYSOU-NZQKXSOJSA-N 407.422 3.869 0 1 HHAF CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832790 CXVORFWHCDPKGV-CWTRNNRKSA-N 414.315 3.698 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCOCC3)s2)N1 587857319 ZPYAKMMJHBVAPE-MGPLVRAMSA-N 412.328 3.505 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(S(N)(=O)=O)c1 587866973 SWGVKUKMBQYVCR-UHFFFAOYSA-N 411.405 3.604 0 1 HHAF O=C(c1ccc(CN2CCN3CCC[C@@H]3C2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587876215 PRSACVWOKXRENK-LJQANCHMSA-N 418.472 3.763 0 1 HHAF CN1CCN(c2ccc(-n3c(O)cc(-c4ccco4)c3O)cc2Br)CC1 587938000 XRKJHVYYNZKOQK-UHFFFAOYSA-N 418.291 3.663 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3c(Cl)ncnc3Cl)N12 962672177 SQZGTWRWHIQOPU-KUHUBIRLSA-N 403.269 3.520 0 1 HHAF COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)c2ccc(F)cc2C[C@@H]2CCCN21 963108798 YMYOVJDHRGWODW-AVRWGWEMSA-N 420.484 3.714 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccc(OC(C)=O)c1)C(F)(F)F 963604927 FYBAPOMVDKOYHW-MPBGBICISA-N 409.404 3.969 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@H]1CCCN(Cc3ccccc3)C1)C2 1772626546 IFAUDIFDZPQQDU-RXVVDRJESA-N 423.509 3.514 0 1 HHAF CCN(c1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C)S(=O)(=O)c1ccc(C)cc1 1857629937 YMLPTTWXICGIMG-INIZCTEOSA-N 413.543 3.544 0 1 HHAF N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5cccnc45)c3c2)C1 1857747347 NMQKWQSHBDMICR-CVEARBPZSA-N 400.486 3.733 0 1 HHAF Cc1ccc(-n2ncc(C(=O)O)c2NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 1857771245 OMUGLOPUICGGPM-UHFFFAOYSA-N 423.812 3.891 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@](N)(CCCO)C2 2356294290 STTSAMAMJQQJKW-SLPWESRLSA-N 401.595 3.661 0 1 HHAF CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]21C 2356505510 GZWAPPJQZHYUJY-DJEYIWCMSA-N 418.530 3.823 0 1 HHAF COc1ccc2nc(CO[C@H]3CN(Cc4ccnc5ccccc45)C[C@@H]3F)[nH]c2c1 2356710309 YRGKWWLJFUJXTC-AVRDEDQJSA-N 406.461 3.859 0 1 HHAF CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1 13537969 RGIIRDQMJISXTQ-SFHVURJKSA-N 413.909 3.919 0 1 HHAF COc1ccc(Cl)cc1N1CCN(CCNC(=O)c2cc3ccccc3o2)CC1 28473944 KAHDGLFCBLQDAH-UHFFFAOYSA-N 413.905 3.647 0 1 HHAF COC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1 28963784 SCLSTPDVIMPXCU-UHFFFAOYSA-N 420.448 3.837 0 1 HHAF CCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 36487256 ZCICNSSKXNMYFG-AEFFLSMTSA-N 403.500 3.992 0 1 HHAF CN1C(=O)c2ccccc2C12CCN(C(=O)Nc1cnc(-c3ccccc3)cn1)CC2 40943128 VEOWBVGKYNMUKJ-UHFFFAOYSA-N 413.481 3.752 0 1 HHAF COc1cccc(-c2cccc([C@@]3(c4ccncc4)N=C(N)N4CCCN=C43)c2)c1F 73312489 QPJHVYYOFCYPRT-XMMPIXPASA-N 415.472 3.572 0 1 HHAF CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179735 VHBXXWBLUNPIFF-LJQANCHMSA-N 408.525 3.982 0 1 HHAF COc1ccccc1OC[C@H](O)CNCCOc1cccc2[nH]c3ccccc3c12 96939466 LBSCMGLWYCRKQK-QGZVFWFLSA-N 406.482 3.738 0 1 HHAF C[C@H](Oc1cc(C(=O)N[C@@H](C(=O)N(C)C)C(C)(C)C)ncc1C1CC1)C(F)(F)F 146456187 LCIYQPVAYMSKLA-ZBEGNZNMSA-N 415.456 3.521 0 1 HHAF N#Cc1nc(C(=O)NCC2(C(=O)O)CCC2)c(O)c2ccc(Oc3ccccc3)cc12 146760128 WHDBRPBRHPLOCJ-UHFFFAOYSA-N 417.421 3.589 0 1 HHAF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(-c2ccccc2)c1=O 169717587 NXICLDWRVPJBIQ-UHFFFAOYSA-N 418.236 3.879 0 1 HHAF CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@@H](C(=O)NC)[C@H]1c1ccccc1C 169720522 CUWORVBSTFJMBF-AQNXPRMDSA-N 419.550 3.969 0 1 HHAF CCOc1cc(F)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204170923 NPQVZUPDGURAIA-UHFFFAOYSA-N 406.465 3.665 0 1 HHAF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2 213181375 QDFRLUNBIAQWHV-OAHLLOKOSA-N 420.347 3.850 0 1 HHAF O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(C(F)(F)F)cc4C3)cn2)c1 225939878 MBCNXHQXPLPFAW-UHFFFAOYSA-N 402.376 3.678 0 1 HHAF O=S(=O)(NCCc1nc2c(F)cnc(Cl)c2[nH]1)c1c(Cl)cccc1Cl 586943469 XUQYQGQRRKBOAZ-UHFFFAOYSA-N 423.684 3.578 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)c(F)cc2[nH]1 586964376 BQJKLASNSUGKRC-UHFFFAOYSA-N 405.890 3.812 0 1 HHAF FC(F)(F)c1nn(Cc2nc3cc(Br)cnc3[nH]2)c2c1CCCC2 587120288 WJGIKSCCBJHMMH-UHFFFAOYSA-N 400.202 3.863 0 1 HHAF CCOC(=O)C[C@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355508 DOJGNZSILAFPMP-KJXAQDMKSA-N 414.429 3.761 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)O2 587409963 OTKCFIAYQBKZID-OAQYLSRUSA-N 408.479 3.749 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(I)ccc1F)[C@@H](C2)C3=O 587428780 QVOJUERMPKOJFM-SJCJKPOMSA-N 410.182 3.928 0 1 HHAF COC(=O)C1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 587438806 RGEINTKYCUKTHV-AUSIDOKSSA-N 407.466 3.573 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1c(F)cccc1F)CC2=O 587466359 NHKIDPHSACUFHJ-QFIPXVFZSA-N 418.392 3.616 0 1 HHAF O=C1C[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587508010 XMJNPROWPKMJSR-XMMPIXPASA-N 407.441 3.714 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2C)N1 587682130 UNEOADFOZCCRKJ-FUXBKTLASA-N 403.093 3.708 0 1 HHAF COCCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587741626 OEPXJPLPEUYJSZ-BUXKBTBVSA-N 408.315 3.689 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCN(C)CC2)N1 587767183 QUDUDMLVNHTNQY-SPLOXXLWSA-N 418.354 3.964 0 1 HHAF CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccccc4)n3n2)CC1 653751748 UUFIIKREBUVIMW-UHFFFAOYSA-N 413.481 3.544 0 1 HHAF Fc1ccc(-c2nc(C3CCNCC3)oc2-c2ccnc(Nc3ccncn3)n2)cc1 1857578401 JPQSRIJOLBUUTP-UHFFFAOYSA-N 417.448 3.938 0 1 HHAF CN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)[C@@H]1COc2ccccc2C1 1857580981 MHOIPADYLYCBEO-NRFANRHFSA-N 417.509 3.879 0 1 HHAF CCC[C@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)cc1 1857743708 MWZRERWJQYQMFR-AWEZNQCLSA-N 408.380 3.990 0 1 HHAF CO/C(=C/C(=O)N1C(=O)C=C[C@@H]1CC(C)C)CCNC(=O)CCCCC(C)(C)C 1857764125 VKIGEMQNRQJTHS-CQGUWYRNSA-N 406.567 3.969 0 1 HHAF CCCCC[C@H]1Nc2c(Br)cc(Br)cc2S(=O)(=O)N1 1911583441 YKMRWSQZXBBBOM-NSHDSACASA-N 412.147 3.822 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356288611 HZOVZICTVIAROK-NSHGMRRFSA-N 405.589 3.578 0 1 HHAF COCC=Cc1cc(O)c2c(c1)[C@H](COC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2 2356572666 IWDGCLQHHMDLRR-AVRDEDQJSA-N 414.454 3.849 0 1 HHAF Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C 1332072 ISRDOTRRUXXYDX-UHFFFAOYSA-N 419.460 3.708 0 3 HHAF O=C(c1cccc(N(CCO)Cc2ccccc2)c1)N1CCc2ccc(O)cc2C1 103301239 BPNCDZUKFUDUOX-UHFFFAOYSA-N 402.494 3.590 0 1 HHAF COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(C)cc2)[nH]n1 58541731 GNQSKLDWVQJYEV-APWZRJJASA-N 423.513 3.555 0 1 HHAF CCOC(=O)CCN1CCN(CCCOC(c2ccccc2)c2ccccc2)CC1 29321923 LBBIBFOAKUQPCE-UHFFFAOYSA-N 410.558 3.754 0 1 HHAF CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 28712945 KBRBDQUPSTVBGF-DNRSQYFGSA-N 420.553 3.875 0 1 HHAF Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCN4[CH]NC=C4)c(C)c3cc2c1C 2356853181 DAWIHGBZCJRNBH-UHFFFAOYSA-N 422.505 3.707 0 1 HHAF CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1 63540182 ZJAHDRFLBKWZPM-UHFFFAOYSA-N 419.508 3.992 0 1 HHAF O=C1N[C@@H](c2c[nH]c3ccccc23)CN[C@H]1c1c[nH]c2cc(Br)ccc12 15266910 PZUOTISMYYMQAB-MOPGFXCFSA-N 409.287 3.914 0 1 HHAF biogenic COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@@H](C)C2=O 15262584 DFSRAKRRKOYPCQ-GHMZBOCLSA-N 400.427 3.825 0 1 HHAF biogenic Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c2ccccc21 73198258 SMBXZRPOITXFSE-KBXCAEBGSA-N 405.523 3.852 0 1 HHAF CCCCNc1ncc(C(=O)N[C@H](C)CC)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144173 CDJQZSWMABTQFR-CQSZACIVSA-N 416.522 3.910 0 1 HHAF CNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 144123424 XHZDHMIGRYSMMD-UHFFFAOYSA-N 400.486 3.857 0 1 HHAF Cn1cc(-c2cc(C(=O)N3CCC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144816243 ZNHKKHMUSRECLD-NRFANRHFSA-N 413.399 3.712 0 1 HHAF Cn1cc(-c2ccc(CN3C(=O)[C@@]4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 95589387 LQEOSKCXRPVRTF-XMMPIXPASA-N 422.479 3.686 0 1 HHAF COc1c(F)cccc1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 261166253 RYMOHHYAOSEKIU-LYRGGWFBSA-N 410.367 3.930 0 1 HHAF COc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1OC 587659836 FNUJTSQQXNXJDZ-UHFFFAOYSA-N 404.397 3.908 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O 587448283 HXTDALUVWSSDGN-GBXCKJPGSA-N 420.486 3.790 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN2CCC[C@@H]2C1 587860284 SNDNTZLIZUDXIT-OAHLLOKOSA-N 423.344 3.676 0 1 HHAF C[C@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537918 BTKQAUUJQDLWEG-BEFAXECRSA-N 413.227 3.822 0 1 HHAF COc1ccc(N)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC 587740465 BDOPAOPNGHANGX-GIGQVBGESA-N 409.299 3.985 0 1 HHAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccnc(N)c3[nH]2)c1C 587165517 CPZSXAAGFWRKDI-UHFFFAOYSA-N 407.449 3.876 0 1 HHAF CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2n1 586954404 BEBIJUZDTIPRHF-UHFFFAOYSA-N 404.923 3.970 0 1 HHAF CC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc(-c3ccc(C)cc3)cc21 958061100 RVZFIDMFOACUHT-UHFFFAOYSA-N 404.491 3.837 0 1 HHAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1ccc2cccc(O)c2n1 963194140 SOSSIMGWMYFANC-HSZRJFAPSA-N 406.482 3.698 0 1 HHAF CCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1 1772589830 VQGIKVKNRWRQES-UHFFFAOYSA-N 424.442 3.965 0 1 HHAF O=C(O)COC[C@H]1CC[C@H](CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 1772573596 XOVSMYQHSGFUMW-WGSAOQKQSA-N 410.514 3.983 0 1 HHAF CN(CCO)CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13781672 YXMFOQPUDZYAEQ-OAQYLSRUSA-N 422.635 3.875 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C4CCC4)n3)C2)cc1 169709370 DPJMBRXYMZMGQI-HTAPYJJXSA-N 408.546 3.925 0 1 HHAF CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1 201230469 JLOMMZLKXNYVMK-HHHXNRCGSA-N 422.532 3.852 0 1 HHAF CCc1ncc([C@H](CNC(=O)c2ccccc2Cl)N2CCC(F)(F)CC2)cn1 207685563 HYESXFVAJGNDNM-KRWDZBQOSA-N 408.880 3.895 0 1 HHAF COc1cccc([C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1 1857559269 PEGDWAZVYUFIRC-KRWDZBQOSA-N 404.875 3.697 0 1 HHAF COc1ccc2nc([C@H](C)Nc3ncnc4nc[nH]c34)n(-c3cc(F)cc(F)c3)c2n1 203552960 GXZWLOQZFYOLOV-JTQLQIEISA-N 422.399 3.547 0 1 HHAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@](=O)CCOC(=O)c2ccccc2)C1 13584853 ZLQIMBGPLMNTJT-LUHXOMTRSA-N 419.974 3.981 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1Cc1c2n[nH]c1C(=O)NC[C@@H]1CCCO1 13672647 VCYHUCFEOYVTLC-CPQJOOACSA-N 421.541 3.594 0 1 HHAF O=C(Nc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28524174 ZWXIQEUZDPMEKN-RTBURBONSA-N 415.335 3.671 0 1 HHAF COc1ccc(Cc2cc(-c3ccco3)c3c(N)c(C(N)=O)sc3n2)c(OC)c1 49073417 DDZWNGBAQKLINJ-UHFFFAOYSA-N 409.467 3.845 0 1 HHAF O=S(=O)(c1ncccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1 72114552 GFQJVNQTBSGUHM-CTNGQTDRSA-N 411.571 3.908 0 1 HHAF O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1C(=O)Cc1ccccc1 95872176 GFNMXLTYDBAUDJ-QHCPKHFHSA-N 410.473 3.651 0 1 HHAF CN(C(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)c1ccccc1 103264700 RQOKEPXVCZMNKN-IBGZPJMESA-N 420.510 3.599 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 104634668 OFKNZQVVDSXAEA-ROUBRXKESA-N 418.537 3.943 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCCC2CCNCC2)cc1 199942280 SEWQUULKELVECC-UHFFFAOYSA-N 404.580 3.550 0 1 HHAF CN1Cc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cc2C1 221031470 DHEPJUCPKRJQTP-IBGZPJMESA-N 415.476 3.647 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncc(Cl)cc4F)ncc23)ccn1 261182746 WKTDTAWFUWPQJN-UHFFFAOYSA-N 411.828 3.838 0 1 HHAF O=c1c2c[nH]nc2c2cnc(-c3ccccc3CNC3CC3)cc2n1CC(F)(F)F 473132378 QXOMDSANDOQYSH-UHFFFAOYSA-N 413.403 3.754 0 1 HHAF O=C1C[C@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)c2c(Br)cccc2O1 587004577 XHARMPARKBMFGS-JTQLQIEISA-N 401.216 3.659 0 1 HHAF CN(C)CCOc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007437 XTPODZALPFJXMC-UHFFFAOYSA-N 400.280 3.581 0 1 HHAF CN1CCN(c2ccc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3c2)CC1 587081551 CDUMJXWKCDTYIT-UHFFFAOYSA-N 422.920 3.868 0 1 HHAF Nc1c(F)c(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1F 587136238 DXUVTDCMLOIJDX-UHFFFAOYSA-N 424.551 3.882 0 1 HHAF O=C(c1cc(F)c(F)c(F)c1F)c1c(CO)oc2cc(Br)cnc12 587275495 CDUREUCVURMXFH-UHFFFAOYSA-N 404.113 3.870 0 1 HHAF CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 587370054 AULJLTFECWOQRF-IBGZPJMESA-N 401.260 3.567 0 1 HHAF Cc1nn(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br 587537982 CCRGHOWMYSIXDT-KUHUBIRLSA-N 415.243 3.900 0 1 HHAF COc1ccccc1[C@@]1(c2oc3cccnc3c2N)NCCc2c(C(=O)O)cccc21 963121109 JBOUZGUSEMFWRZ-DEOSSOPVSA-N 415.449 3.554 0 1 HHAF CON/C=C/[C@@]1(c2ccc(OC)cc2)c2cccc(Br)c2CCN1C 963271256 TWQXZEKDUUSXKJ-DRUFCSCSSA-N 403.320 3.854 0 1 HHAF CCc1c[nH]c(C(=O)NCCCCN2CCN(c3cccc(CC)c3Cl)CC2)n1 1857533989 JPKJFRLOQQTEPW-UHFFFAOYSA-N 417.985 3.520 0 1 HHAF O=C(c1ccccc1)N1C[C@@H](F)[C@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356302049 KRGCAWPMLYLGIH-RHSMWYFYSA-N 407.367 3.961 0 1 HHAF CCN(CC)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 2459437 FLEAULQKEWOTOD-RBUKOAKNSA-N 402.516 3.544 0 1 HHAF CNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 3960757 KCVBJYCYUYBMEV-HNNXBMFYSA-N 413.934 3.936 0 1 HHAF Cc1ccc(CNC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(F)c4)c32)cc1 6916333 JVIPQJOBLHRLJG-UHFFFAOYSA-N 418.472 3.568 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2F)[C@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356397761 IHLPJISMQJUWHE-URVUXULASA-N 417.550 3.655 0 1 HHAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N2CCN(c3ccco3)CC2)c1F 29545704 FHRKDBKFCJZHHR-UHFFFAOYSA-N 413.428 3.664 0 1 HHAF Nc1ccc(S(=O)(=O)Nc2ccc(Br)c3c(Cl)c[nH]c23)cc1 28232517 XAAQGNKDZHIHBW-UHFFFAOYSA-N 400.685 3.967 0 1 HHAF O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)C(c2ccccc2)=NN1 28656402 GSSNISWUIUDDCJ-KRWDZBQOSA-N 406.461 3.687 0 1 HHAF CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3N2C1 35983762 XXQLRGOMTAGFDA-UHFFFAOYSA-N 403.891 3.582 0 1 HHAF CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 73298019 XEAYUIOJSHPVLP-ALFLXDJESA-N 402.450 3.677 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@]4(C)[C@@H]3CC[C@@]21C 40449650 ZMAIFLOHRXCDQS-APKHVZLNSA-N 418.622 3.959 0 1 HHAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cncnc3)c2n1 223692768 YRLZWJRXWFQOMK-UHFFFAOYSA-N 410.441 3.635 0 1 HHAF CCCCOCCOC(=O)[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C 82070314 NFTKJACSTVGAKM-LJQANCHMSA-N 402.491 3.764 0 1 HHAF CN[C@@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 95554390 YDTAITULUOEXLP-CQSZACIVSA-N 408.445 3.974 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cscn2)C1 95565330 BDKXTJZVSCTDFF-UHFFFAOYSA-N 413.812 3.730 0 1 HHAF C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](CN3CCN(c4ccccc4)CC3)[C@H]2CC1 299876165 FEFXVKIJLJCFDJ-CIZJBWLFSA-N 410.558 3.692 0 1 HHAF Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F 653804932 WIDRMOABSDIADZ-UHFFFAOYSA-N 421.350 3.652 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCN(c2ccccc2)CC1 587872439 MLANVVJDCXYWQH-UHFFFAOYSA-N 422.504 3.940 0 1 HHAF CC(=O)N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586984813 JBKZORVBPMTVCQ-GFCCVEGCSA-N 411.662 3.933 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587041895 HMQGLOBEVODVRR-LJQANCHMSA-N 424.526 3.551 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O 587595305 REQVNRIECLUMLL-AUSIDOKSSA-N 408.406 3.992 0 1 HHAF COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587028426 YCMBPRBBUCUFTP-JVPBZIDWSA-N 424.526 3.881 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O 587455764 QHNNVAWIKWLGPO-XYURVEJXSA-N 414.413 3.747 0 1 HHAF Cc1nc2[nH]c(-c3cncc(I)c3)nc2cc1Br 587185162 QLSAJWJHPDCODU-UHFFFAOYSA-N 415.032 3.695 0 1 HHAF O=C(NC1CC1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587581945 XXRVUORAIGJWSE-NFBKMPQASA-N 401.418 3.987 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 587799417 WVFJSYMCYOREDU-ZQWRNJAYSA-N 417.322 3.839 0 1 HHAF COc1ccc(S(=O)(=O)/N=C(\O)COc2ccc3ccccc3c2)c(OC)c1 48611566 JCQAMWATCFSDLF-UHFFFAOYSA-N 401.440 3.581 0 1 HHAF CCOC(=O)C[C@]1(COc2ccccc2)NCCc2cnc3c(OC)cccc3c21 963054473 JMMDMGXWPHVDRR-XMMPIXPASA-N 406.482 3.617 0 1 HHAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccncc1 1772638999 TXTFLIYPDYXIOX-UHFFFAOYSA-N 420.557 3.995 0 1 HHAF O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc4nonc4c3)N3CCC[C@@]123 12297915 BVCOVKYEEMXCCY-BUKVSMQUSA-N 408.889 3.814 0 3 HHAF O=C(CCc1ccccc1)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13476880 CNWMLBNTIOUEFJ-QFIPXVFZSA-N 416.477 3.684 0 1 HHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1C 13588345 ZWJUOYUYIQDUSS-UHFFFAOYSA-N 411.405 3.674 0 1 HHAF C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C 13980009 WHKQWNUTAKNCOO-RTBURBONSA-N 402.494 3.980 0 1 HHAF O=C(Nc1ccc(C2CCN(C(=O)[C@@H]3CCOC3)CC2)cc1)N1Cc2ccccc2C1 166184566 HKCRRDYUCKFNLX-JOCHJYFZSA-N 419.525 3.977 0 1 HHAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4-c4ccccn4)C[C@H]3C2)n1 167185694 NOMWUAFCXVJJCA-HDICACEKSA-N 417.488 3.503 0 1 HHAF CC(C)Oc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2Cc2ccc(Cl)cc2)cc1F 204095917 CCXNBDNVJDRULE-UHFFFAOYSA-N 417.868 3.988 0 1 HHAF CCc1ccc2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1 1857543180 XCHRRQAQQMSBHL-LJQANCHMSA-N 407.518 3.503 0 1 HHAF O[C@@](CN(Cc1ccccc1Cl)C1CC1)(Cn1cncn1)c1ccc(F)cc1F 1857597029 ITXHMAFBMWVPLB-NRFANRHFSA-N 418.875 3.762 0 1 HHAF O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 1857656434 ZKEUFSFPGJUPGF-KDURUIRLSA-N 423.582 3.755 0 1 HHAF CCCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857752939 PFHPUQTYKDOHGM-GOSISDBHSA-N 404.493 3.842 0 1 HHAF COc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC[C@@H]3CCCO3)c2c1 906263 MNRJWLNNXMIBOQ-KRWDZBQOSA-N 409.511 3.693 0 3 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 2489560 ZYLCWBOJIVUVNL-FQEVSTJZSA-N 413.562 3.517 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 4054646 AWMZWFIRCWVVKU-CUWPLCDZSA-N 416.905 3.718 0 1 HHAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@H]3CC(C)=CC[C@H](OC(C)=O)[C@](C)(O)[C@@H](O3)[C@@H]2[C@@H]1C(C)C 2356409016 VXAZNVCCWPGZMQ-PCRZEGSMSA-N 420.546 3.573 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4206260 ZRLZOHUMELFOGC-ZKYUUJBMSA-N 415.921 3.507 0 1 HHAF Cc1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)c2nn(-c3ccc(Cl)cc3)c(C)c12 6945010 JGBFAQRKEBFLPB-OAHLLOKOSA-N 424.936 3.581 0 1 HHAF COc1cccc([C@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC 102651278 JFZWBTWBSSDBMW-UQNFDQQLSA-N 406.442 3.977 0 1 HHAF CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 103239232 DLNOLRVJSOGNNN-WOVMCDHWSA-N 401.486 3.795 0 1 HHAF O=S(=O)(Nc1ccncc1Nc1ccc(O)c(Br)c1)C(F)(F)F 103267295 QDZMGDNGBQXMBC-UHFFFAOYSA-N 412.187 3.555 0 1 HHAF COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccc(OC)cc23)cc1 26835356 WTICVKSLBPVWDV-UHFFFAOYSA-N 408.498 3.530 0 1 HHAF O=C(c1ccccc1-n1cccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116823793 NFIXQZPDPPQXDR-KDURUIRLSA-N 409.493 3.629 0 1 HHAF C[C@H]1Cc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2NC1=O 28527245 LADOJIGNBBJTQR-INIZCTEOSA-N 406.555 3.792 0 1 HHAF NS(=O)(=O)c1ccc(-c2nc(NCC3CCCCC3)cc(C(F)(F)F)n2)cc1 29132123 CEXFXPGETITBPC-UHFFFAOYSA-N 414.453 3.802 0 1 HHAF O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(Br)cc1 60489434 GIWSLXNVPKVCNU-KRXBUXKQSA-N 424.272 3.579 0 1 HHAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2cc(-n3cccn3)c(F)cc2N)cc1 117580487 IZSOEZNIOFUDJH-UHFFFAOYSA-N 423.492 3.831 0 1 HHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356835739 PVOQSJZKMPTAJW-IPMKNSEASA-N 407.542 3.619 0 1 HHAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@H](OC)[C@](C)(O)[C@@H]2C)cc1OC 2356863991 VKBCLQJPVXSOLX-XDDWGKGVSA-N 402.487 3.941 0 1 HHAF O=C(NCc1ccccc1)c1ncn(Cc2ccccc2)c1C(=O)NCc1ccccc1 36388220 HWBKBWNYQIEWEL-UHFFFAOYSA-N 424.504 3.791 0 3 HHAF CCCCCCOc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 73138705 MFIYZXXOIMNJJS-UHFFFAOYSA-N 417.531 3.976 0 1 HHAF COC1CCC([C@H](C)Nc2nc(N3CCC(N4CCCC4)CC3)ncc2C)CC1 82204083 ZWHRPLADFIGDNS-JSOIOWGOSA-N 401.599 3.855 0 1 HHAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1OC(=O)C(C)(C)C 238745458 GSIPYKSLUKLRAH-UHFFFAOYSA-N 414.410 3.840 0 1 HHAF O=C(O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 96286197 CWHACJJNROINNY-FLFQWRMESA-N 401.378 3.716 0 1 HHAF CO[C@H]1C[C@@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)C(=O)O1 238755956 MBAXCJZDNOCWCW-KUEMLJJYSA-N 408.535 3.998 0 1 HHAF N[C@@H]1CCCN(c2nc3c4ccccc4[nH]c(=O)c3n2Cc2ccccc2Cl)C1 95562465 KHBQJLSKDKJNEA-OAHLLOKOSA-N 407.905 3.507 0 1 HHAF CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 473154829 MDKVCJIYHPCGLG-UHFFFAOYSA-N 419.489 3.977 0 1 HHAF CCOC(=O)[C@H](COC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(F)cc1 653732517 QHGPIRYMBAKOPB-NORHQAJESA-N 402.418 3.746 0 1 HHAF COc1cc2c3c(c1)O[C@@](CSCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587452277 NVOSAXXCDPNMSI-YWZLYKJASA-N 404.871 3.809 0 1 HHAF O=C1C[C@]2(C[C@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598898 YWIJMPKSPQYJPR-JCNMPKRYSA-N 415.445 3.614 0 1 HHAF O=C1CC=C(c2nc3ccc(F)c(Br)c3[nH]2)NN1Cc1ccc(F)cc1 587162435 CIQKTKYLCDRFOE-UHFFFAOYSA-N 419.229 3.882 0 1 HHAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586930995 YQBUJHQWAHGLOO-UHFFFAOYSA-N 419.812 3.770 0 1 HHAF O=C(N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202567 JSDFJQAYPQIDNX-OAHLLOKOSA-N 407.348 3.504 0 1 HHAF COc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cn1 587169875 DJLBCOSGGXCQCD-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586960806 CMUIPRVORMZJCV-RXMQYKEDSA-N 406.340 3.543 0 1 HHAF O=S(=O)(NCCc1nc2ccc3ncccc3c2[nH]1)c1c(Cl)cccc1Cl 586943176 XJVGQLUIWAIURU-UHFFFAOYSA-N 421.309 3.939 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587258320 GRAAMASBFKAJEW-UWJYYQICSA-N 402.458 3.859 0 1 HHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587241198 QMEWKNWQDUNUGG-UHFFFAOYSA-N 407.499 3.820 0 1 HHAF COc1cc(Br)c([C@H](N)c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC 586975999 RGDWBNNUZCEIHX-NSHDSACASA-N 415.650 3.578 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(I)ccc1F)[C@@H](C2)C3=O 587428782 QVOJUERMPKOJFM-YVEFUNNKSA-N 410.182 3.928 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587796993 UVTIZGYIJFLEEI-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cc(F)cc(Cl)c2)cc1 165983097 SLSSIFQQORPRSK-QGZVFWFLSA-N 407.825 3.513 0 1 HHAF COC[C@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccc3c(c2)OCO3)[C@@H]1COC 14435178 WBJMMHMEDGPCCD-JTUHZDRVSA-N 400.471 3.646 0 1 HHAF COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 15944497 CZTADHFVPMNRLK-LPYPXZNLSA-N 418.559 3.848 0 1 HHAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)c5ccco5)C4)c3c2)cn1 1857643304 QVMRPXJCEPUSQR-KRWDZBQOSA-N 415.453 3.620 0 1 HHAF CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC 776833 QUAZUOCVOSAMNL-HNNXBMFYSA-N 414.433 3.666 0 1 HHAF Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)noc2C)cc1 5005381 MOSLQNGHDJPXLI-UHFFFAOYSA-N 419.547 3.634 0 1 HHAF Cc1cc(Cl)ccc1NC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 8593640 CMAIQHLVBMNOQN-UHFFFAOYSA-N 421.888 3.800 0 1 HHAF CC1(C)C[C@H](NC2CCC2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 12491044 KSPMJSGJUWWFFP-NBMBROAQSA-N 413.606 3.956 0 1 HHAF biogenic C=CC[C@]12C=C(OC)C(=O)[C@H]([C@@H]1OC(C)=O)[C@H](c1ccc(OC)c(OC)c1)[C@@H]2C 14658279 BTFCDJSUJSAEKO-NSMXXKITSA-N 400.471 3.661 0 1 HHAF biogenic CC1(C)C(=O)[C@]2(CS(=O)(=O)N3CCC4(CCc5ccccc54)CC3)CC[C@H]1C2 27305263 WZQWIOILPGGQPR-FDDCHVKYSA-N 401.572 3.692 0 1 HHAF O=C(CSc1nc2ccccc2s1)NC[C@@H]1CCCN(Cc2cccnc2)C1 28231596 FRBIYZUNAFRFHW-KRWDZBQOSA-N 412.584 3.812 0 1 HHAF CCCc1cc(C(C)=O)c(O)cc1OCCCCOc1ccc(-c2nnn[nH]2)cc1 28368901 BNDNDONNRGXEET-UHFFFAOYSA-N 410.474 3.965 0 1 HHAF O=c1n(Cc2nc3ccccc3n2CCCCF)c2cnccc2n1CC(F)(F)F 28821083 ZFHZJGWAJOWZGK-UHFFFAOYSA-N 421.398 3.908 0 1 HHAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C[S@](C)=O)CC3=O 45256700 BJSJLRUHMIZYAK-CAMPQQCRSA-N 416.495 3.642 0 1 HHAF O=C1NC[C@@H]2c3c(cccc31)CCN2C(=O)Cc1ccc(OCc2ccccc2)cc1 45352969 RBPSUSGZEBUPLW-HSZRJFAPSA-N 412.489 3.678 0 1 HHAF Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2cc(F)sc2n1 45392999 QQXXXYYFFKJFMJ-UHFFFAOYSA-N 420.897 3.520 0 1 HHAF COc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459621 LNZYZAVDMUOOBN-IBGZPJMESA-N 413.524 3.760 0 1 HHAF CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1 71329904 IVBBODPPELNFAD-UHFFFAOYSA-N 403.486 3.721 0 1 HHAF O=C1c2cc(N3CCOCC3)ccc2N[C@@H](Cc2ccccc2)N1c1cccc(O)c1 72113603 BYWSUCKSSQYAAJ-XMMPIXPASA-N 415.493 3.870 0 1 HHAF CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NC(=O)c1sccc1C 73222899 FPGYLUIGKHTKQV-UHFFFAOYSA-N 421.862 3.778 0 1 HHAF Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)cc1 82179194 PSOOIIHJKOOZCU-IBGZPJMESA-N 400.486 3.988 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 82198585 DDNRBBWLNDEZIK-FLHMGHEWSA-N 400.563 3.876 0 1 HHAF CCOc1cccc2cc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)oc12 95580313 CKCVKNRGWHNZIC-SIKLNZKXSA-N 405.498 3.662 0 1 HHAF Cc1ccccc1-c1nn(-c2cccc(Cl)c2)cc1CNCCN1CCN(C)CC1 96938965 QSTLTGYBIAJWPZ-UHFFFAOYSA-N 423.992 3.838 0 1 HHAF Cc1cccc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4F)ccc32)n1 103296074 YAYJMYJNRNRIGD-UHFFFAOYSA-N 421.453 3.775 0 1 HHAF CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/[C@H](O)Cc2ccccc2)[C@@H]1O 118268880 BHGLRNRVCYDAJB-RJELXZHGSA-N 400.515 3.550 0 1 HHAF CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118925242 XZKHOQXQDMYABL-BCWNTCASSA-N 406.607 3.953 0 1 HHAF O=C(Cc1nc2ccc(-c3ccccc3)cc2s1)NCc1nc(C(=O)O)cs1 146206428 IVHJPNNRBKTOIL-UHFFFAOYSA-N 409.492 3.977 0 1 HHAF CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1 230816033 UGSGONUQALTCTR-UHFFFAOYSA-N 423.473 3.542 0 1 HHAF COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C)[C@H](C)CO)cc(OC)c1OC 238742643 RGBOFJXUKLCBAK-LKBUQDJMSA-N 418.486 3.846 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC/C=C/c1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 253641803 UASJKQINROBGIC-XEBPWFMKSA-N 405.494 3.951 0 1 HHAF CCCN(CCCCN1C[C@@H]2CCC[C@H]2C1=O)[C@H]1COc2cccc(OC)c2C1 253712468 ZSCQNYLCSNCYIW-XUVXKRRUSA-N 400.563 3.749 0 1 HHAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 299875901 DSBLOZMBPHVCER-CMBBURJTSA-N 400.906 3.955 0 1 HHAF COC(=O)c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cn1 587018081 SRQKIAUHGNWRIC-UHFFFAOYSA-N 402.439 4.160 0 1 HHAF O=C1CC=C(c2nc3cc(Br)cc(F)c3[nH]2)NN1Cc1ccc(F)cc1 587164007 PVJYDODCCOMRNG-UHFFFAOYSA-N 419.229 3.882 0 1 HHAF Cc1c(Br)ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 587171357 WZDBVEABMCXMGC-UHFFFAOYSA-N 412.284 3.594 0 1 HHAF COC(=O)c1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1OC 587206044 UXMAEKLHKFWCTP-MRXNPFEDSA-N 405.495 3.840 0 1 HHAF COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420233 FDUHFECWWFYKDD-FOIQADDNSA-N 406.356 3.920 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1cccc(F)n1)CC2 587572261 USDMJIWXDNAHDK-FQEVSTJZSA-N 406.413 3.927 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582978 SGUUPWOTSJOBRV-OFNKIYASSA-N 422.437 3.557 0 1 HHAF CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587768136 CNVYQZBHPUPJHX-WYRIXSBYSA-N 407.283 3.958 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796454 KGMFGEVCJYRNFV-LCCAYYTGSA-N 414.315 3.886 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncn1-c1ccccc1 587868704 PFWPXVIJSIIVBZ-UHFFFAOYSA-N 413.359 3.847 0 1 HHAF O=C(n1nc2cc1Oc1ccc(F)cc1-2)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 587874782 BWHNKVYEVLPNFZ-GWEVUABKSA-N 406.421 3.417 0 1 HHAF COc1ccc(C[C@H]2CCCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1OC 653780750 FWHHRBMLQOYRQF-LJQANCHMSA-N 420.513 3.830 0 1 HHAF CCOC(=O)CC[C@]1(c2ccc(F)cc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906325 FRBRLVWPRFQDLC-RXVVDRJESA-N 423.843 3.804 0 1 HHAF CN(C)c1cccc([C@@]2(CCCCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963024409 NFYMYOKTUUKVLF-CRICUBBOSA-N 421.541 3.695 0 1 HHAF CCC[C@@]1(CC(=O)OCC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186578 VGPAQTYNSVDAJO-PBHICJAKSA-N 407.816 3.906 0 1 HHAF COCc1cc(COc2ccccc2CC(=O)O)cc(-c2cccc([C@H](N)CO)c2)c1 1857578424 OYSYQZPSVJNNKM-HSZRJFAPSA-N 421.493 3.698 0 1 HHAF COc1ccc2nc(C[C@H]3CN(Cc4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302735 WFADAJGRKZLDFK-SJORKVTESA-N 411.477 3.866 0 1 HHAF COC(=O)[C@]1(C)C2=C(CC[C@@H]1OC(C)=O)[C@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)CC2 2356421801 UXGNFHQNRCSBPH-HJPLNHKQSA-N 416.470 3.885 0 1 HHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3nc(C)nc(N(CC)CC)c3c2C)C1 2925980 MQTMHTBEOOIVAC-OAHLLOKOSA-N 418.563 3.570 0 3 HHAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)NCc2ccc3c(c2)OCO3)cc1 61902807 MBPAHMULAURSHC-XMMPIXPASA-N 408.498 3.634 0 3 HHAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 766936 NEAVIXCFIBOSNW-YHBQJITHSA-N 403.885 3.637 0 1 HHAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 769379 FBADSMWPOHDRAR-WPFOTENUSA-N 423.557 3.855 0 1 HHAF COC(=O)[C@@H]1CC(c2cc(Br)ccc2OCc2ccc(OC)cc2)=NO1 13536310 WDYUQOUGGLQNRI-SFHVURJKSA-N 420.259 3.703 0 1 HHAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCC[C@@]12COc1ccccc1C2 13759913 HOYFSXBLFWVLAI-RUZDIDTESA-N 410.558 3.946 0 1 HHAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCCCc1ccccc1 36177082 LLAHJYBITWOMNU-LDVJMBRRSA-N 407.510 3.871 0 1 HHAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@]1(O)c1ccccc1)CC2 40762625 IGMRUXJGIQSJAC-ZEVJAHDQSA-N 422.544 3.952 0 1 HHAF Cc1cccc(N2CCN(CCNC(=O)c3cc(C(C)(C)C)n(C)c3C)CC2)c1C 58569373 QOTNRKMRALTDAA-UHFFFAOYSA-N 410.606 3.800 0 1 HHAF COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)cc(OC)c1OC 71281666 BGZSCCWDIOJNJW-FQEVSTJZSA-N 419.433 3.940 0 1 HHAF O=C(NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CC1 72102461 OWORZGPKIQYFCP-IBGZPJMESA-N 404.436 3.575 0 1 HHAF COc1ccccc1CNc1nc(NC[C@H]2CCCO2)nc2cc(OC)c(OC)cc12 82127138 SFKIMEVKCRPWRV-MRXNPFEDSA-N 424.501 3.859 0 1 HHAF CCCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I 82149646 IRUCTNUIGISRRP-ABFRBSLYSA-N 413.299 3.641 0 1 HHAF CC[C@@]1(O)CC[C@H]2CC=C3O/C(=C4\OC(=O)C(C)=C4OC)[C@@H](C)[C@@H]3[C@@H]3CCC[C@@H]1N23 85532553 QCAFHXTWKUQEOP-OFZPWBALSA-N 415.530 3.772 0 1 HHAF biogenic,in-vitro COc1ccccc1OCCNC[C@H](O)COc1ccc2[nH]c3ccc(F)cc3c2c1 96939503 ZHKMKGACKWMKSV-KRWDZBQOSA-N 424.472 3.877 0 1 HHAF CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 101668517 YXOCMNIVIOISGO-JRACYLQBSA-N 405.542 3.836 0 1 HHAF COc1ccc(NCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 103209513 BLPBUMUTBMQKDP-UHFFFAOYSA-N 401.466 3.603 0 1 HHAF N[C@H]1CCCN(c2ccncc2Nc2cccc3cnc(-c4nccs4)nc23)C1 116904785 OAYLGJMFKMEJKI-HNNXBMFYSA-N 403.515 3.819 0 1 HHAF Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 169355227 OKTLUHLPRNUIIK-AQNXPRMDSA-N 408.527 3.715 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@H]3CC[C@]12C 299821188 ZMAIFLOHRXCDQS-OLWRVBJGSA-N 418.622 3.959 0 1 HHAF CN1CCN(C(=O)[C@H](Cc2ccccc2)Nc2ccnc3cc(Cl)ccc23)CC1 299838221 MKFTUNKEJQUEEZ-QFIPXVFZSA-N 408.933 3.685 0 1 HHAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccnc4[nH]3)ccc2s1 587034407 UJFNLUZVQCQEOT-UHFFFAOYSA-N 410.455 3.505 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4nc(-c5nn(C)c(O)c5F)[nH]c4c3)o2)cc1 587155399 KYKBYOBUPKZINB-UHFFFAOYSA-N 406.377 3.534 0 1 HHAF COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(I)c1 587179440 AMHXWSNEEVJCST-UHFFFAOYSA-N 419.222 3.728 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587223656 DCUNHNBXOZIASN-QGZVFWFLSA-N 422.551 3.569 0 1 HHAF COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C 587341495 JPUOPWZZIFCAPA-REWPJTCUSA-N 409.413 3.931 0 1 HHAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCC(=O)O)=CO1 587356678 QJJQSYDLCWXBBK-UNMCSNQZSA-N 412.369 3.506 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c4c(c1)OCCO4)[C@@H](C2)C3=O 587419734 YSWLZGAATHGPIB-SGTLLEGYSA-N 403.228 3.718 0 1 HHAF Cn1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587546001 NHCMKWIAVBYOHH-KSSFIOAISA-N 401.216 3.591 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1nc[nH]n1 587567747 BQDRDUCXNVRMFR-AVRDEDQJSA-N 403.369 3.555 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587768597 KYFOZMXRCHHUGK-YBTHPKLGSA-N 417.278 3.784 0 1 HHAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(=O)O 587790275 FHMWDHRCNYETDO-APBUJDDRSA-N 424.266 3.684 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 587828769 PQFLRIZDSWJSAO-NSPYISDASA-N 406.251 3.675 0 1 HHAF O=C1c2ccccc2C(S(=O)(=O)O)=C[C@@]12NCCc1cccc(-c3ccccc3)c12 962666724 LKNCJDVJUKIKBL-DEOSSOPVSA-N 417.486 3.820 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(N1)C(=O)Nc1ccc3ccccc3c12 962981589 VHQIEWNRCUBDFN-VFNWGFHPSA-N 414.795 3.566 0 1 HHAF Cc1cc([C@H]2CN(C(=O)c3ccc4ccccc4c3)CC(F)(F)C2)n2ncnc2n1 1772624154 UPRBEZUZBRFEOC-GOSISDBHSA-N 407.424 3.851 0 1 HHAF COc1cc2c(cc1OC)CN(C1CCC3(CC1)O[C@@H](O)Cc1ccccc13)CC2 1857637782 FOVSXIWNEYKTCV-FMGHMSBISA-N 409.526 3.791 0 1 HHAF COCCOc1ccc2c(c1)O[C@@H](COc1ccc(CCC(=O)O)c(F)c1)CC2 1857773788 WQSFORLFVYVCSQ-LJQANCHMSA-N 404.434 3.641 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@H]23)cc1OC 2356608779 HOCAAINDJYNCFZ-CMLPYJLWSA-N 402.443 3.502 0 1 HHAF CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466672 YARCPSFQASPPDP-BJKOFHAPSA-N 419.569 3.762 0 3 HHAF CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466674 YARCPSFQASPPDP-DNQXCXABSA-N 419.569 3.762 0 3 HHAF c1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 22862962 YEJHRWFRUUSJMJ-JTHBVZDNSA-N 417.561 3.596 0 3 HHAF CC(=O)c1cccc(NC(=O)NCCCN2C[C@H]3Cc4ccc(F)cc4C[C@H]3C2)c1 1550873 UEZCEACAQLYPRG-RTWAWAEBSA-N 409.505 3.887 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1 4048911 GHTDULPCNUWFAT-VWNXMTODSA-N 421.541 3.779 0 1 HHAF CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C 11868411 OOCIVEAKUUAJAJ-MRXNPFEDSA-N 424.574 3.728 0 1 HHAF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCCO)[nH]c(=O)c12 13585148 PKENODBLXMNPET-UHFFFAOYSA-N 415.708 3.946 0 1 HHAF CO[C@H]1CC[C@@H](OC)[C@@H](C2([C@@H]3C[C@@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 17176461 GRLWJBJNHZKQHW-WPHHOBHXSA-N 418.530 3.713 0 1 HHAF COc1cc(C(=O)[C@H](O)C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1OC 40401715 PPVYACMKLMJBGF-XMMPIXPASA-N 418.445 3.633 0 1 HHAF CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@@H](CCc2ccccc2)C1=O 49850797 IMMCKYJRSDYXJG-NBGIEHNGSA-N 407.510 3.648 0 1 HHAF COc1cc(C(=O)NCc2nnc(-c3cccc(Cl)c3)o2)ccc1-n1cnc(C)c1 68246352 AXPZNRBYXQGQGG-UHFFFAOYSA-N 423.860 3.823 0 1 HHAF Cc1ccc(CN2[C@H]3CC[C@@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1OCCO 72316728 ODUYVHAFJTXMAF-FRIKZZABSA-N 406.530 3.850 0 1 HHAF CCC[C@H](C)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 87613006 UHSWAPTUNNWHLO-OXJNMPFZSA-N 407.518 3.844 0 1 HHAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO 95878707 IUDCWEZUNCWYDS-AYOQOUSVSA-N 419.294 3.602 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2cnccn2)C1 218508188 QUAODTRXVVQHNG-UHFFFAOYSA-N 407.783 3.533 0 1 HHAF O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 220714995 NUFXKJOWPLPSAQ-KNBMTAEXSA-N 404.445 3.750 0 1 HHAF O=C(O)c1cnncc1NC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1 299836997 OAIRCWVKNKXXQY-XYYAHUGASA-N 420.391 3.851 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2c(F)c(Br)ccc2[nH]1)C(F)(F)F 587127192 NWMQFHABRZNCLS-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF Cc1c(C)c2cc(Cl)c(O[C@H](C)c3ccc4c(O)nc(O)nc4n3)cc2oc1=O 587368553 LFUGTPLKXNPMIB-SNVBAGLBSA-N 413.817 3.953 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1)O2 587393406 HZXWIENOMFRREW-SEPYTNNBSA-N 410.514 3.772 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(C(=O)OC)cc1)CC2=O 587472132 XJTSMENWIYHOHO-HSZRJFAPSA-N 411.454 3.884 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587561524 SOGJZVXWNLVFKR-HNQDKWLHSA-N 407.514 3.773 0 1 HHAF COC(=O)c1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591720 HIXKAAKEWKVTFO-GBXCKJPGSA-N 402.402 3.982 0 1 HHAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O 587597175 UDMSSCAVRVSTHR-WMZHIEFXSA-N 422.389 3.567 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 587751680 YSWUVHDPIMKFMR-JPYRYYCLSA-N 407.327 3.629 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cncn3)cc2)N1 587756771 FKWTUSHHXVPXKB-BLVKFPJESA-N 401.283 3.967 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)CN1CCC(C)CC1 587869666 MIFAHYPFRRYZCQ-AWEZNQCLSA-N 410.440 3.981 0 1 HHAF COc1ccc(F)c([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1OC 962674139 VPPRIKCAWYXEDQ-WMZHIEFXSA-N 410.445 3.579 0 1 HHAF CCCCC[C@@H]1Nc2c(Br)cc(Br)cc2S(=O)(=O)N1 1911583440 YKMRWSQZXBBBOM-LLVKDONJSA-N 412.147 3.822 0 1 HHAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c(C)c1 5066960 DWDDBDJWOXJEMQ-LJQANCHMSA-N 409.511 3.643 0 3 HHAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)on1 61904549 KLXHKELDMDIANJ-FQEVSTJZSA-N 420.469 3.863 0 3 HHAF CCS[C@]12C[C@H]3c4cccc5c4[C@@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O 1863601 PSORSYJKNJMUHN-MMRQGHOYSA-N 420.534 3.956 0 1 HHAF CN(c1nccc(C(F)(F)F)n1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118889618 OQQTYCISRDFCRY-LBPRGKRZSA-N 422.382 3.668 0 1 HHAF CCCSc1nc(N2CC[C@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 117665849 UZTXBBWTQKNEIG-OAHLLOKOSA-N 405.564 3.947 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(CC(=O)O)cc1 27207091 VFBHBERTUSZCNE-NRFANRHFSA-N 410.470 3.577 0 1 HHAF CC(=O)c1ccccc1-c1cc(N2C[C@H](c3cc(F)c(F)cc3F)[C@@H](N)C2)ncn1 28823829 MDDJASPMMYWKOU-UZLBHIALSA-N 412.415 3.695 0 1 HHAF O[C@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1=COc2ccccc2O1 28107649 QEPMPEJSGYXRQK-QGZVFWFLSA-N 406.404 3.501 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](COC(=O)CCC(=O)O)[C@@]2(C)CC[C@@H](C)CCO 2356731167 DQBYZULBDHLLAH-YUFICSJLSA-N 424.578 3.943 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)OC)[C@@H]21 2356765250 GHMNDPOMCUTYGM-ZPBGKDLJSA-N 424.578 3.638 0 1 HHAF COc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccc(C)nc32)cc1 35050294 UDZLKPPNOMAPRD-UHFFFAOYSA-N 405.498 3.824 0 1 HHAF CC(C)c1cccc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)c1 71335007 HEJHXDYULVMEKQ-UHFFFAOYSA-N 401.514 3.627 0 1 HHAF CCCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)C2)cn1 84653745 JVLMJTHFAZVCKD-UHFFFAOYSA-N 423.557 3.546 0 1 HHAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]cnc4c3)CC1)O2 49125815 NHOXYJIQUZUURO-UHFFFAOYSA-N 405.454 3.520 0 1 HHAF COc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H]3[C@@H](C(=O)N2CC4)[C@H](C)ON3C)c1 199737983 OMMOTCOHVBVTTH-SVWBVHECSA-N 417.509 3.923 0 3 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(-c3nccn3C)c2)cc1 199938669 PPRLWPOJFJTUNF-UHFFFAOYSA-N 421.526 3.905 0 1 HHAF NC(=O)c1ccc(-c2cccnc2O[C@H]2C[C@H](Nc3ccc4ccccc4n3)C2)cn1 146138052 UPQIKAIFCRQKSJ-HDICACEKSA-N 411.465 3.813 0 1 HHAF O=C(c1ccccc1Br)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 145605982 GZIRHUBRAHLBCA-LIRRHRJNSA-N 423.314 3.743 0 1 HHAF CCCc1cc(-c2nc(-c3ccc(C(=O)NS(C)(=O)=O)cc3)cs2)ccn1 299826498 GTYCEHIJYRZHDL-UHFFFAOYSA-N 401.513 3.514 0 1 HHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)c1 587235889 RRYXHMXPABWCRD-UHFFFAOYSA-N 419.506 3.584 0 1 HHAF CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)CC(=O)c3cc(C)cc(N)c3O2)CC1 587384483 FFTIWTUZSXFELX-HSZRJFAPSA-N 414.452 3.975 0 1 HHAF COC(=O)c1cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cnc1N 587433106 NRVTYRWOXOKQIZ-VGOFRKELSA-N 416.433 3.615 0 1 HHAF Cc1cccn2cc(Cc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)nc12 587924027 ZQDYLXCDOXCYMB-UHFFFAOYSA-N 412.540 3.753 0 1 HHAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590559 SQZHENVGHVKVBQ-YKSBVNFPSA-N 415.401 3.904 0 1 HHAF COCCn1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587581413 LCPUGOGTSSBCKZ-NFBKMPQASA-N 408.454 3.729 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(CC(=O)Nc3ccccc3)CC1)C2 1772619471 LHUIWFPSZAISKM-LJQANCHMSA-N 422.525 3.800 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)cc1)O2 1857549176 ICAKMJOAKYCHRZ-HYBUGGRVSA-N 406.434 3.656 0 1 HHAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1ccccc1Br 770556 UZGGPJSMEVHDJD-HXUWFJFHSA-N 417.303 3.905 0 1 HHAF C/C1=C/C[C@H]2C(C(C)C)=CC(=O)O[C@]2(C)CC/C(C)=C2/OC(=O)[C@@H]3[C@H]2[C@@H]1O[C@]3(C)O 105579523 YFSGXEZLCNEFQI-OEYMEHPVSA-N 416.514 3.801 0 1 HHAF CCC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1 53230104 GEEVDRJPBXLINN-UHFFFAOYSA-N 416.485 3.909 0 1 HHAF C[C@@H](O)CCCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 28346712 ULRIEZQFFAOBAD-LLVKDONJSA-N 410.305 3.590 0 1 HHAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 61958670 LBFOYRDDABXURT-SFHVURJKSA-N 415.534 3.898 0 3 HHAF O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 28358259 BQJVYIFVMRAUDD-YCDPIYLCSA-N 424.921 3.603 0 1 HHAF O=C1[C@@H]2CCCN2C(=O)N1CCCCCCCCNC[C@@H]1CCc2ccccc2O1 38239401 JXAQAPJCKXJXJW-SFTDATJTSA-N 413.562 3.737 0 1 HHAF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC[C@@H](F)C3)co2)cc1 40567694 KBFSRQVQIGIFSO-HXUWFJFHSA-N 421.472 3.775 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H]1CO[C@@H]2[C@@H]1C 85836823 DWYDOSXEQLNVAO-AXTBBGANSA-N 400.427 3.693 0 1 HHAF biogenic,in-vitro CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@@H](N)CC2 88260927 RTHRYZMOKATZKP-PKTZIBPZSA-N 418.578 3.688 0 1 HHAF C[C@@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 224982205 MQDDJWTVOBHYHX-QGZVFWFLSA-N 406.542 3.786 0 1 HHAF COc1ccc(C)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225039814 VMNLIWBSEQMRHT-UHFFFAOYSA-N 406.467 3.810 0 1 HHAF CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)cc(OC)c1)C1=C(COC1=O)N2 40939696 MLLMOEYOYIHXPK-OAQYLSRUSA-N 411.454 3.870 0 1 HHAF CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C(C)C)N2 82206361 SRBUWRWCHJDLTM-FQEVSTJZSA-N 406.530 3.730 0 1 HHAF COc1cc2nc(N3CCOCC3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82127043 HWHNJPFWIHVLBT-MRXNPFEDSA-N 408.502 3.699 0 1 HHAF COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NC[C@@H]2CCCO2)n1 82193324 RPENHHOTKXUKHB-HOCLYGCPSA-N 421.588 3.648 0 1 HHAF CNC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144874986 YNYAGRZTOKHBSY-LJQANCHMSA-N 421.806 3.728 0 1 HHAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3nc(C)sc32)cc1 96906026 YQFNSFOVYAQJAF-QHCPKHFHSA-N 413.506 3.928 0 1 HHAF CCC[C@@H](Oc1ccc(-n2cccn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 96269700 HORKZCCQSNMYFA-OAQYLSRUSA-N 407.470 3.997 0 1 HHAF C[C@H]1Cn2c(nnc2-c2cc(F)ccn2)CN1C(=O)c1cccc(Cl)c1Cl 474602351 BACUOQUEHLTBIV-JTQLQIEISA-N 406.248 3.831 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCCS3(=O)=O)cc1)CC2=O 587493645 UDJBCEIRTHEYPM-QFIPXVFZSA-N 415.511 3.765 0 1 HHAF CCCCN1CC2CN(CCCC)CC(C1)C21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445653 XHNDAWNKWJIVAX-ZWCULKOFSA-N 412.574 3.645 0 1 HHAF CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cccc(F)c23)c1C 587636771 IBACPLNQLIIILQ-UHFFFAOYSA-N 400.406 3.836 0 1 HHAF CCn1ccc(C(=O)Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)n1 587432967 UBIOIUQWGWCLBV-VGSWGCGISA-N 404.422 3.620 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C(=O)C2 587583071 PZVSVQSJMFBQFY-ZJSXRUAMSA-N 401.418 3.920 0 1 HHAF Cc1nn(-c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)c(C)c1Cl 587064575 DHBGQDVMLXNODF-UHFFFAOYSA-N 402.863 3.933 0 1 HHAF COc1cc(C)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587598310 XIRCEQLBWQZBKN-WZONZLPQSA-N 403.390 3.518 0 1 HHAF COC(=O)CCn1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587755995 IZSXERUBMBTENH-DGIBIBHMSA-N 424.314 3.588 0 1 HHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCC(=O)O 587520579 FQWPKBJJHXNKCF-SFHVURJKSA-N 412.438 3.753 0 1 HHAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648731 GTLGADFOCFHVFY-UHFFFAOYSA-N 405.859 3.638 0 1 HHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586880754 BPYGIDIYVWHJRO-UHFFFAOYSA-N 415.243 3.952 0 1 HHAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC 587811358 ZJNKGZYHABAVCE-XYZCENFISA-N 424.266 3.927 0 1 HHAF N=C(N)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966124 GLAZQWWUSDYSJX-UHFFFAOYSA-N 403.515 3.656 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)CC(=O)N1CCC(C(=O)OCC)CC1 963226321 HRCNRMDIULHQSX-HOYKHHGWSA-N 400.563 3.750 0 1 HHAF COC(=O)Cn1cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2ccccc21 962732140 XFGWATIFKNQWQE-YLJYHZDGSA-N 416.399 3.549 0 1 HHAF O=C1c2ccccc2C(=O)N1n1cccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963119050 YWICBLIPFSYARV-JTSKRJEESA-N 401.441 3.669 0 1 HHAF CS(=O)(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCC3)C2CC2)c1 13761607 RODMNTVWOFGHQY-GOSISDBHSA-N 403.500 3.528 0 1 HHAF Nc1cc(C(=O)O)cc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 150543992 DONYXDRFNXMBNV-UHFFFAOYSA-N 408.479 3.559 0 1 HHAF CCCCCC1(/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)OC)OCCO1 169315842 LHWGYEFMSTYDKY-LCNNQNNXSA-N 410.551 3.514 0 1 HHAF CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C 169316179 HKMYJCGBZHDCCU-LLZVHFHVSA-N 420.619 3.789 0 1 HHAF Cc1ccc(C(=O)NC2COC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700051 VQPHWWDDRJEBKZ-UHFFFAOYSA-N 401.466 3.687 0 1 HHAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2C)CC3)n1 169702278 ZAXRCZPJFWYGBJ-UHFFFAOYSA-N 421.530 3.599 0 1 HHAF C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709248 NUVUVZBKYKTVAL-HTAPYJJXSA-N 424.545 3.860 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCCCC4)n3)C2)cc1 169709872 UOQXRCBDFWXDLZ-PGRDOPGGSA-N 408.546 3.927 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049301 RCVMNZPMAHFCQI-BSDZUQITSA-N 401.510 3.998 0 1 HHAF CC(=O)c1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O 5833545 XAPZYJFLCOBOIV-DGCLKSJQSA-N 408.227 3.569 0 1 HHAF C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](CNCCc3c[nH]c4ccccc34)C(=O)O[C@@H]1C2 8490423 QKDHNIHOHJXFFG-DFWPMBLWSA-N 408.542 3.827 0 1 HHAF biogenic Cc1nnc(C2=NO[C@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)o1 40917978 HCTDQJPYOXUIDO-QFIPXVFZSA-N 403.486 3.566 0 1 HHAF Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(NC(C4CC4)C4CC4)c23)cn1 72125778 MFBHTCKAEJJJMP-UHFFFAOYSA-N 400.486 3.816 0 1 HHAF O=C1CN(Cc2ccccc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 95866226 RXASKZNMLSGTDG-USZFVNFHSA-N 416.496 3.664 0 1 HHAF CCN1CCN(CCCn2nc(-c3ccccc3)cc(Cc3cccs3)c2=O)CC1 103219391 IIFMKFIBFLEIPN-UHFFFAOYSA-N 422.598 3.590 0 1 HHAF Cc1ccc(-c2cc3c(NC4[C@H]5CC6C[C@H]4CC(O)(C6)C5)c(C(N)=O)cnn3c2)cc1 146044360 PHYQXCCNHUZFGG-YNTJQLAASA-N 416.525 3.760 0 1 HHAF O=C(NCCCc1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cn1 167140767 IRCATMJPVZQQRI-UHFFFAOYSA-N 400.482 3.992 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(F)cc1 169350260 WHJQGTMLFBXJGB-YAAVIUAOSA-N 414.473 3.810 0 1 HHAF CCN(Cc1cc(F)ccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)C1CC1 208540955 UHFGFYZPQRRLAM-UHFFFAOYSA-N 409.461 3.859 0 1 HHAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1cncc(F)c1 210638707 DGDCNPKRBYTIJY-UHFFFAOYSA-N 424.520 3.744 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 253689013 LLAHJYBITWOMNU-MYDTUXCISA-N 407.510 3.871 0 1 HHAF COC(=O)c1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1OC 586965784 QSZHCYNORAEISR-UHFFFAOYSA-N 423.498 3.754 0 1 HHAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(C(C)=O)cc2[nH]1 586984098 HFQNHHSCQHBPLU-SFHVURJKSA-N 400.276 3.948 0 1 HHAF FC(F)(F)c1cnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 587118921 SSHCCLBNYFQXLH-UHFFFAOYSA-N 402.258 3.895 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587229521 BKTJUQOFXPXHLC-GHMZBOCLSA-N 420.382 3.648 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587448603 KHJYSOSSHCLYGD-RDPSFJRHSA-N 420.486 3.790 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C 587476557 PWUHAQHFALWJEG-XMHCIUCPSA-N 403.475 3.852 0 1 HHAF COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1C=O 587591162 GBMRRFSYZZPTFL-WMZHIEFXSA-N 422.389 3.630 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cn2)N1 587678885 DJAHBTWKBXLQFV-GLEZIHRCSA-N 415.104 3.938 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587799019 VREMKMPZPZGZCI-CQLKUDPESA-N 404.239 3.786 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 587829550 XXIGXNBQUBBVCD-LRPMNMFCSA-N 424.310 3.798 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)Nc1ccccn1 587858510 IFTYAVNXPMVYKF-UHFFFAOYSA-N 405.241 3.930 0 1 HHAF CCOC(=O)c1sc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc1CC 653859557 FEJSORIOLVJYHS-UHFFFAOYSA-N 415.559 3.775 0 1 HHAF NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OC1CCCCC1 1857592270 IBJYGQBQUZVQRD-UHFFFAOYSA-N 422.934 3.880 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCC(=O)OC)cc21 1857610212 BGBKRPCBNPOLIN-UHFFFAOYSA-N 416.477 3.892 0 1 HHAF COc1cc(C)ccc1OCc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)no1 12076179 HKEMNVGGDDOBDG-SFHVURJKSA-N 421.375 3.999 0 3 HHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO 4080193 CXDTWLYEAJEXIS-ICSRJNTNSA-N 416.905 3.575 0 1 HHAF C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccccc1 4845673 LOAFSWHUOUKUPQ-WABZUUDDSA-N 416.521 3.506 0 1 HHAF C=CCN1CC(=O)N2[C@@H](c3cccc(Cl)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6613927 QTCYEMIFHQAJBJ-KNQAVFIVSA-N 405.885 3.692 0 1 HHAF biogenic Cc1ccc(CNC(=O)c2cncc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 9151984 BKIGHFIJZYVABU-UHFFFAOYSA-N 415.902 3.774 0 1 HHAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCCCC4)cccc2-3)cc1 13492129 PHXVVRNNJLOUIB-UHFFFAOYSA-N 416.481 3.721 0 1 HHAF CCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1 13644341 PEQGRVVQYBZVPO-UHFFFAOYSA-N 402.542 3.821 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@@H](C)[C@@H](C)C2 15270689 CWTKKMAJNZCARV-LDLUMPKVSA-N 402.443 3.675 0 1 HHAF biogenic CC[C@@]12C=C(C(=O)OCCOC(C)=O)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42 28965246 RWTVOOSEEBEYRF-UPVQGACJSA-N 408.498 3.692 0 1 HHAF O=C(O)c1cn(CCO)c2c(F)cc(Cc3cccc(Cl)c3Cl)cc2c1=O 29501325 KCYXSYRXHHMSBC-UHFFFAOYSA-N 410.228 3.729 0 1 HHAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@]1(O)c1ccccc1)CC2 40762621 IGMRUXJGIQSJAC-FXSPECFOSA-N 422.544 3.952 0 1 HHAF CCC[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 45255784 OHMAVAINSFOTRQ-KRWDZBQOSA-N 421.472 3.643 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(N2C[C@@H]3C[C@@H]2CN3c2ccc(F)cc2)nc1 101095023 OJUBJVRKXUPGAK-RBUKOAKNSA-N 403.461 3.523 0 1 HHAF C[C@@H](NC(=O)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccccc1 103303023 MLKRVCDSVIMHCB-CYBMUJFWSA-N 409.396 3.884 0 1 HHAF NS(=O)(=O)c1ccc2nc(-c3ccc(C(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1 141038818 IZEFOIBGMVVCBE-UHFFFAOYSA-N 411.870 3.762 0 1 HHAF Cc1nc(OCc2c(-c3ccccc3)noc2C)ccc1C(=O)NC1CCOCC1 143530837 HBBYBZIOEDVVLE-UHFFFAOYSA-N 407.470 3.841 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCCN3)CC2)cc1)N1Cc2ccccc2C1 166869657 ZVAOLQXGKIRCTE-RUZDIDTESA-N 418.541 3.983 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OC)cc2)c1 169707284 LBIUOUFQTDEYFG-SFHVURJKSA-N 418.497 3.575 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4occc4[nH]3)c2)c2cncnc21 221757589 WNIQQHBFXAZDMU-UHFFFAOYSA-N 414.425 3.965 0 1 HHAF c1ccc(C(CN2CCN(CCNCc3cccnc3)CC2)c2ccccc2)cc1 299858111 QNBPDELLJBJFAS-UHFFFAOYSA-N 400.570 3.621 0 1 HHAF O=C1C[C@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 587002448 FVAPJKFOFSLIDM-QMMMGPOBSA-N 419.206 3.798 0 1 HHAF CN(C)CCOc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587041218 ARIDOWLSTHMBQE-GOSISDBHSA-N 416.934 3.812 0 1 HHAF N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1Cl 587056121 HIHNOQWKLIAPNN-LBPRGKRZSA-N 403.813 3.752 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587084822 IQKGLIJDTSKCNL-UHFFFAOYSA-N 406.273 3.830 0 1 HHAF O=C1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587148032 FDVZILACVDEXLP-ZDUSSCGKSA-N 411.387 3.682 0 1 HHAF COC(=O)c1cc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1OC 587222056 XPYGKSYZFITDTQ-OAQYLSRUSA-N 415.449 3.878 0 1 HHAF C[C@]1([C@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582184 YNKDTBXTDAQAEA-ZEYPLWLESA-N 418.405 3.886 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CN2CCOCC2)c1 587593566 KJVHLHUMEDPUFY-RDGATRHJSA-N 417.461 3.927 0 1 HHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCCc1ccccn1 587660882 ILVNFMWGBWNDRC-UHFFFAOYSA-N 404.470 3.563 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 587766165 FWSDEGUPJQOBLH-ZUOKHONESA-N 403.295 3.750 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C2=O)N1 587767096 IKWZADBDFQLNPD-XCLFUZPHSA-N 403.295 3.750 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1cccs1 587863610 DYJYEQOSAFNTBX-UHFFFAOYSA-N 409.389 3.709 0 1 HHAF Cn1c(CN2C[C@@H]3[C@@H](COCc4ccc(C(F)(F)F)cn4)[C@@H]3C2)nc2ccccc21 914431356 YKYWUHHZZRBGMG-PIIMJCKOSA-N 416.447 3.882 0 1 HHAF CC(C)(C)OC(=O)N[C@H](CC(F)F)[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730798 PHCWUYKAHIOIJK-IPYPFGDCSA-N 422.394 3.922 0 1 HHAF O=C1CC[C@]2(N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc2N1 963190895 YCOGFFIYEACPRH-APWZRJJASA-N 424.806 3.934 0 1 HHAF O=C([C@@H]1CCCN(c2ccc3nc(-c4cncc(Cl)c4)[nH]c3n2)C1)N1CCCC1 1772599886 UAUZFDSQRVQNLF-CQSZACIVSA-N 410.909 3.512 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(/C=C3\CC(=O)NC3=O)cc1)O2 1857545817 QGIIGZIXQRLUSQ-AIHHMALZSA-N 421.493 3.910 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 4055049 MJASJQRYELTCNX-RFVSGWPVSA-N 415.921 3.507 0 1 HHAF C[C@@H]1CN(CCCn2nc3ccccn3c2=O)C(C)(C)CN1c1cccc(Cl)c1 27091203 NPMIRPDEZBWFON-QGZVFWFLSA-N 413.953 3.529 0 1 HHAF O=C1c2ccccc2CC[C@@H]1CNCCc1ccc(O)cc1I 31392912 MIQRUWUVLIWVAW-OAHLLOKOSA-N 421.278 3.574 0 1 HHAF in-vitro Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)C[C@@H]3C)cccc2n1 38512358 MSFUUIPBIBJYNX-SFHVURJKSA-N 416.525 3.627 0 1 HHAF Cc1ccccc1C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40409023 KZHNJPSVSIMMQK-IXMGXUHHSA-N 420.383 3.932 0 1 HHAF CCn1cc(-c2nc3ccccc3o2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 43068899 FYGKWTXTDCESFG-UHFFFAOYSA-N 406.461 3.721 0 1 HHAF OCCN1CCN(C2=Nc3ccccc3CC=C2c2cccc(C(F)(F)F)c2)CC1 53226596 DNMOKXVZTJYKPH-UHFFFAOYSA-N 415.459 3.985 0 1 HHAF Cc1nc(CN2CCN(c3nncc(-c4cccc5ccccc45)n3)CC2)cs1 55090915 LCMMILKYGSGRSM-UHFFFAOYSA-N 402.527 3.779 0 1 HHAF COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCN2CCCCC2)ccc1O 82177808 RBZOWMPWIWIPGL-UHFFFAOYSA-N 424.549 3.761 0 1 HHAF CC[C@H]1NC(=O)C[C@@H]1CNc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12 141937476 AVHPWAAWXLOIAI-NVXWUHKLSA-N 406.486 3.641 0 1 HHAF CC(C)CCN(C)Cc1cn([C@@H]2CCCC[C@H]2OC(=O)COc2ccccc2)nn1 142168686 HTVHDDRYSONDKD-FGZHOGPDSA-N 414.550 3.862 0 1 HHAF CN1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C[C@@H](c2ccccc2)C1 199025278 XEOMUEXWMYJZJS-RTWAWAEBSA-N 411.509 3.843 0 1 HHAF CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCC1 212175604 SXLRYKCPMVAKAB-UHFFFAOYSA-N 412.490 3.753 0 1 HHAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCN4CCOCC4)cc3)cc12 216009258 BBIFWVXFXWEFGJ-UHFFFAOYSA-N 400.862 3.898 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1 230061301 KIQXRQVVYTYYAZ-RLFQWFCRSA-N 410.457 3.816 0 1 HHAF endogenous,world CSc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 586942155 HZWGYUSOUXCJOY-UHFFFAOYSA-N 418.363 3.587 0 1 HHAF O=S(=O)(c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1)C(F)(F)F 587034781 HQQGHWUQOUMBFY-ZDUSSCGKSA-N 402.419 3.774 0 1 HHAF COc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1OC 587113573 PYVOUBUTKYNVRM-LJQANCHMSA-N 407.392 3.999 0 1 HHAF O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3c2nc(Cl)cc3=O)[C@H]1c1ccc(F)cc1 587326041 ABZFMYORRAQSOG-UGKGYDQZSA-N 424.815 3.870 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)O2 587389342 JWWNRDZOWFHJOD-FYYLOGMGSA-N 416.437 3.607 0 1 HHAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 587481875 IOCJJXYOSUPONG-UHFFFAOYSA-N 418.486 3.732 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 587566573 UEJKENUUCUOODA-UHFFFAOYSA-N 403.232 3.546 0 1 HHAF COC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1 587660133 OBFYJQADSGKRJJ-UHFFFAOYSA-N 404.397 3.987 0 1 HHAF CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707922 YKMZTZIBCDVEAY-ATMGAIRJSA-N 416.184 3.781 0 1 HHAF COc1ccc([C@]2(COC(C)=O)NC3(CC3)Cc3ccc(Br)cc32)cc1 961328667 WGVGMPPEKDWXJX-NRFANRHFSA-N 416.315 3.943 0 1 HHAF CC(=O)c1ccc2c(c1)[C@H](c1ccc(C)cn1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636367 WQUCMFIJFQRGBK-VQTJNVASSA-N 410.470 3.928 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(F)c3I)c3cccc1c32 963033899 VNFIDRDIYSUPLT-MGNBDDOMSA-N 422.241 3.573 0 1 HHAF CCCn1cc([C@@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1 963138936 IUCLHCXENUWICV-YWZLYKJASA-N 420.535 3.568 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)NC21CC2(CN(C(=O)OCc3ccccc3)C2)C1 963614807 YVRLBAISHHAJQB-QGZVFWFLSA-N 422.525 3.866 0 1 HHAF CCCO[C@@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)C(=CC=C4CCCC(C)(C)C4)[C@@H]3[C@H]21 2356791826 IZZZOEMEYJMVAL-WNHSNXHDSA-N 420.502 3.626 0 1 HHAF CN(C)C1(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCCCC1 12573946 MKMUMADTHAYQCG-LJQANCHMSA-N 419.997 3.502 0 3 HHAF CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1)C1CCC1 61958663 GFGRPQUMVJGCSS-KRWDZBQOSA-N 415.534 3.897 0 3 HHAF O=C1COCc2ccc(-c3csc4ccccc34)cc2N1CCN1CCOCC1 205212618 AZRJXHLQYLHWIX-UHFFFAOYSA-N 408.523 3.764 0 3 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1 4048912 GHTDULPCNUWFAT-LADGPHEKSA-N 421.541 3.779 0 1 HHAF COC[C@@H](Cc1ccc2c(c1)OCO2)[C@H](COC)Cc1ccc(OC)c(OC)c1 14437706 XNNGPIAYZKIQAH-RBUKOAKNSA-N 402.487 3.743 0 1 HHAF biogenic C[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1 14951998 NJLCBCUEQWZJFS-HNNXBMFYSA-N 407.539 3.704 0 1 HHAF Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)NCc1ccc(F)cc1 21538640 SKNXHKMNZAKDIC-UHFFFAOYSA-N 407.470 3.884 0 1 HHAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)cnc1Cl 28526914 RHECTQPLXWOTCO-UHFFFAOYSA-N 408.285 3.512 0 1 HHAF c1ccc(CNc2ncccc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1 28569547 AWUKPUYMLOLFIE-UHFFFAOYSA-N 402.414 3.654 0 1 HHAF O=C(NC(=O)c1ccccc1)Nc1ccc(Oc2ncc(Br)cn2)cc1 28572699 HKNLCAPBZGEGCX-UHFFFAOYSA-N 413.231 3.993 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cc(N[C@H]3CCCNC3)ccc12 35285419 LTBZSJCZSBJJDR-KRWDZBQOSA-N 406.511 3.713 0 1 HHAF COc1cc(-c2c(C(=O)O)c(C)c(O)c3cc4c(cc23)OCO4)cc(OC)c1OC 38838720 QQWABQBBCGORNU-UHFFFAOYSA-N 412.394 3.974 0 1 HHAF biogenic CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 58598851 WBZIEKDSJFZPMX-LADGPHEKSA-N 408.498 3.591 0 1 HHAF C[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3)nc2)cc1)C(=O)O 72124775 HADJBGJASYPBOI-AWEZNQCLSA-N 404.426 3.596 0 1 HHAF COc1ccc(OC)c(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)c1 100705239 ZDZCEDGMUOCCMT-UHFFFAOYSA-N 424.482 3.527 0 1 HHAF C[C@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 101120194 NPVRPJQNRSJGJS-SFDSGICBSA-N 404.554 3.872 0 1 HHAF Cc1ccc2nc3c(O)n(CCCN4CCN(C5CCCCC5)CC4)cnc-3c2c1 103591107 GSJRJMURFRIXPE-UHFFFAOYSA-N 407.562 3.891 0 1 HHAF O=C(Nc1ccccn1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 114870186 WPQQNUFDOKQHRQ-GOSISDBHSA-N 420.423 3.996 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@H]3CC[C@]12C 169325337 ZMAIFLOHRXCDQS-WOPNVFSKSA-N 418.622 3.959 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCCF)cn3)C2)cc1 169709935 OUYRKTCBZMEGEH-HRAATJIYSA-N 401.482 3.675 0 1 HHAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2ccc(Cl)cc2)nn1 299862709 NQEYMCGCPMSKET-ZPUQHVIOSA-N 409.829 3.962 0 1 HHAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 299876093 FBADSMWPOHDRAR-WMTXJRDZSA-N 423.557 3.855 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587043072 PCYJATHFOPCELI-QZTJIDSGSA-N 411.487 3.573 0 1 HHAF CN(C)/C=C/c1nc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572224 ONMBDOYKKRMENY-AHUNDJPPSA-N 418.449 3.902 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2nc(N)oc12 587576834 PUXVGRSQZLWNQM-XLIONFOSSA-N 404.378 3.827 0 1 HHAF CCN(CC)c1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657298 UAHJTOYQWICHSP-UHFFFAOYSA-N 407.424 3.967 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cc(Br)cn2)N1 587682935 MLDRESZTEMTIDY-PSLIRLAXSA-N 417.120 3.997 0 1 HHAF CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703920 HNTAOUFYNXMDEP-FDHQVAJDSA-N 416.184 3.781 0 1 HHAF CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 587730428 IRZIRGDPSPKQOI-GIGQVBGESA-N 407.258 3.872 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(Cc3ccccc3)c2OC)c(O[C@H]2CCOC2)c1 587926492 ZUSGTGZAMIHDKF-IBGZPJMESA-N 423.465 3.737 0 1 HHAF CC(=O)c1ccc2c(c1)[C@@](C)(c1cncs1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635073 OFTMPFJMEPPBIA-KKSFZXQISA-N 416.499 3.856 0 1 HHAF CCC[C@]1(CC(=O)OCC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186595 VGPAQTYNSVDAJO-WMLDXEAASA-N 407.816 3.906 0 1 HHAF CC(C)COc1nc(Cl)c[nH]c1=NS(=O)(=O)c1cccc(Cl)c1Cl 1857745564 DIGKNNBDIMGGRD-UHFFFAOYSA-N 410.710 3.694 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(C)=O)=CC[C@@H]1[C@@](C)(CO)CCC[C@]12C 2356673327 HAGXKCYPEIDCHR-IFPLKCGESA-N 408.535 3.556 0 1 HHAF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@@H](Cc2ccccc2C(=O)O)CC=CC=C[C@@H]1O 2356821226 FYGPMYBAWHEWAO-PXARDIRTSA-N 423.465 3.574 0 1 HHAF COc1ccc(-c2csc(NC(=O)COC(=O)Cc3ccccc3)n2)cc1OC 3253721 VGYNARWBPIMFEZ-UHFFFAOYSA-N 412.467 3.552 0 3 HHAF O=C(c1nc2ccccn2c1CN1CCC[C@@H](OCc2ccccc2)C1)N1CCCC1 55061097 QUYSPYUBGQJLMX-OAQYLSRUSA-N 418.541 3.752 0 3 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@H](C(C)=O)[C@@H](N4CC4)C[C@H]32)C1 263591340 WRCFYFRXAYMSAE-TXPXJYAOSA-N 415.574 3.639 0 3 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 1752921 TWGHXVKHVUGVCO-UYUKJMGXSA-N 410.466 3.648 0 1 HHAF COc1cc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)ccc1O 6483902 FLXXMSSPZPMSQN-IBGZPJMESA-N 408.483 3.971 0 1 HHAF CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)CC1 9265473 SMQKEPSEMHVIDE-UHFFFAOYSA-N 421.497 3.618 0 1 HHAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(-c2ccccc2F)c1 13612318 ASADDHZKEDUQPA-UHFFFAOYSA-N 415.380 3.643 0 1 HHAF c1cc(CNCCN2CCNCC2)cc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45211211 KHZZNDGLEHSDRT-UHFFFAOYSA-N 411.553 3.892 0 1 HHAF COC(=O)[C@@H](Cc1cn(CC=C(C)C)c2ccccc12)N1C(=O)c2ccccc2C1=O 64454139 NSUDZFOECPQABG-JOCHJYFZSA-N 416.477 3.988 0 1 HHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCCC(F)(F)F)ns2)n1 66102505 NHUSXSLUEKKDFF-UHFFFAOYSA-N 422.440 3.670 0 1 HHAF Cc1cccc(-n2ncc(-c3ccc(OCCCN4CCC[C@H]4C)cc3)cc2=O)n1 73296727 ZKBYTERDWDMGKM-LJQANCHMSA-N 404.514 3.856 0 1 HHAF CC[C@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1cc(OC)c(OC)c(OC)c1 82144202 PDTMXFOGJWZBKJ-ZDUSSCGKSA-N 414.506 3.520 0 1 HHAF COC1CCC2(CC1)Cc1ccc(OCc3ccccc3)cc1[C@@]21N=C(N)N(C)O1 146797668 CIPLWUBAYCECKC-TVNWEXPRSA-N 407.514 3.742 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2C)c1 169707040 UEKPEJQOQGCDBS-LJQANCHMSA-N 402.498 3.875 0 1 HHAF CNC(=O)[C@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1C 169720525 CUWORVBSTFJMBF-XUVXKRRUSA-N 419.550 3.969 0 1 HHAF COCCN1CCN([C@@H](CN2CCC(Nc3ccccc3)CC2)c2ccccc2)CC1 198330037 SKGFAGVKKHYWHF-SANMLTNESA-N 422.617 3.568 0 1 HHAF CC1(C)C[C@@H]1C(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(=O)O 206935158 RMTCJZVBTRZXHG-CXAGYDPISA-N 420.918 3.780 0 1 HHAF NC1=N[C@@](c2cc(-c3n[nH]c(-c4ccc(F)cc4)n3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 225693382 MOYMIMBIBLCWNB-XBHMSOGKSA-N 417.366 3.611 0 1 HHAF C/C=C(/C)C(=O)O[C@H]1C=C2[C@@H](OC)O[C@H](OC(C)=O)[C@@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 238771833 WEMIALKTULZOFO-HIHZWKKPSA-N 404.503 3.755 0 1 HHAF CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)cn1)C1CC1 473093409 TXDLBLPSZQAHHB-KRWDZBQOSA-N 420.435 3.756 0 1 HHAF CCCCNS(=O)(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587071115 WBELLRLNPRWWPC-UHFFFAOYSA-N 405.907 3.720 0 1 HHAF CSc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 587129120 TXGWJBKVPKQMOE-UHFFFAOYSA-N 407.421 3.709 0 1 HHAF Cn1nc(-c2nc3c(N)nccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130321 HRODFYDCZGUFCB-UHFFFAOYSA-N 407.384 3.757 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 587183415 XPLWZMAVDULGBO-ZCFIWIBFSA-N 422.057 3.984 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N1CCOCC1)O2 587375970 GDJABALWUMXCEH-LJQANCHMSA-N 417.303 3.883 0 1 HHAF CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)n1 587378850 WPYBKIPWRIXFCZ-UTKZUKDTSA-N 411.458 3.900 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCOc1cccc(I)c1)O2 587387281 QACJECVLDNOKHW-AWEZNQCLSA-N 423.250 3.985 0 1 HHAF COCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587414320 UMUDANWQWOGDRP-VLIAUNLRSA-N 419.271 3.972 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cc(C(=O)OC)n1C)CC2=O 587459034 WBLWCZFEOGAADF-MRXNPFEDSA-N 422.275 3.939 0 1 HHAF CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O 587490076 WHULZNTZYVMEHS-UHFFFAOYSA-N 421.540 3.595 0 1 HHAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576463 JBZOIKIMQRPWHY-AUSIDOKSSA-N 407.422 3.784 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CN(C(=O)OCc1ccccc1)C2 587582665 MTIZDQHPULQLBR-HXUWFJFHSA-N 417.417 3.745 0 1 HHAF COc1ccc(F)cc1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734750 VKFCNCUSWIPSHI-YYSFKGJASA-N 412.230 3.598 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CCN(C)CC3)CC2)N1 587765470 CJXKGSBGAJZPBG-AWEZNQCLSA-N 410.375 3.508 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@@H]3CCOC3=O)c2)N1 587836500 VZTMBKIVUFXGBI-CYXMAGCYSA-N 420.278 3.906 0 1 HHAF CN(c1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1)S(C)(=O)=O 587923695 FMQLMNAFHLFITH-UHFFFAOYSA-N 412.492 3.979 0 1 HHAF Cc1ccccc1-c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O 587941882 XHTITFQQVITALC-UHFFFAOYSA-N 412.247 3.602 0 1 HHAF CC[C@H](C)[C@@]1(C(=O)O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963452661 YMMDVNQDGGLISB-ULNAFTNLSA-N 420.465 3.646 0 1 HHAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cccc(OC)c3[nH]2)C1 2356321500 URAJYIVJUZVLRA-HZPDHXFCSA-N 401.507 3.634 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(CCC=CCCCCN[C@H]21)C3 2356466528 JTIJGTARYKLTGJ-SSUZURRFSA-N 414.634 3.957 0 1 HHAF COC(=O)C=C(OC)[C@H](C)[C@@H](C=Cc1csc(-c2csc(C(C)=O)n2)n1)OC 2356614705 FJJCCBLQMQQDDM-IAQYHMDHSA-N 422.528 3.837 0 1 HHAF O=C(NCC1CC1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCC1CC1 12726526 PHJMLTWGLMSUSF-UHFFFAOYSA-N 421.469 3.525 0 3 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@@H](O)CC)c1 4055078 QXLZXGYEDCCVNH-DSKINZAPSA-N 416.905 3.718 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCOC)c1 4207578 PTHHJTAUDITOBS-CTNGQTDRSA-N 416.905 3.983 0 1 HHAF CCN1c2cc(Br)c(Br)nc2N(C)C(=O)c2cccnc21 5842478 FLZQUOIQTADNSB-UHFFFAOYSA-N 412.085 3.750 0 1 HHAF COc1cccc(CN(C)C(=O)N2C[C@H](c3ccc(Cl)cc3Cl)[C@@H](N)C2)c1 14958674 MUPPANDMUHSZRP-MJGOQNOKSA-N 408.329 3.981 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(Br)c(Br)c2)C[C@@H]2CC[C@H]1N2C 28474148 UWYWQPVLTBLACL-RBDSIQFVSA-N 417.141 3.951 0 1 HHAF CC(C)[C@H](N)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29235874 CNELJWJABGXWRP-LBPRGKRZSA-N 410.421 3.912 0 1 HHAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](OC(C)=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 33820486 ZGDWNZMBIMUYME-YNRDDPJXSA-N 410.551 3.702 0 1 HHAF Cc1ccccc1C(=O)OC[C@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40409019 KZHNJPSVSIMMQK-KGGGBHMPSA-N 420.383 3.932 0 1 HHAF O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(OCCN3CCCCC3)cc(O)c12 40938017 AURSPSAEXNSNJN-UHFFFAOYSA-N 423.465 3.802 0 1 HHAF O=C(Nc1ccccc1Br)c1ccc(C(F)(F)P(=O)(O)O)cc1 49033827 KKRQXRHZABSXFE-UHFFFAOYSA-N 406.119 3.928 0 1 HHAF COc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CC[C@H]2CCCN2C)cc1 82179872 HWLHTFCZOCOKJQ-GOSISDBHSA-N 406.534 3.808 0 1 HHAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccc(F)cc2)cc1 100101586 BRVAYTCFNQFNDV-BKFWDETESA-N 422.525 3.930 0 1 HHAF CCCNC(=O)c1c(NC(=O)C23C[C@H]4CC2C[C@@H](C4)C3)sc2c1CCN(C)C2 101500789 ORBXXIQKZFKULT-MNJSFFNPSA-N 401.576 3.641 0 1 HHAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 103625557 DDVBPZROPPMBLW-MJMMNHSFSA-N 421.559 3.860 0 1 HHAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cn2)cc(N2C(=O)OC[C@H]2C(C)C)c1 113542120 MMVNDZWNOYKPLL-IERDGZPVSA-N 411.502 3.803 0 1 HHAF CC(C)(O)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167554341 NTRBPFHDZXDGKF-UHFFFAOYSA-N 405.498 3.621 0 1 HHAF CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-c4cc[nH]c(=O)c4)c3CO)ncc2c1 209440154 XPWHPDCOARLMAB-UHFFFAOYSA-N 419.456 3.670 0 1 HHAF COc1cc(NC(=O)CCCCCOc2cccc(Br)c2)nc(OC)n1 299861893 IUJXUBRUFLDHFS-UHFFFAOYSA-N 424.295 3.834 0 1 HHAF CCC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 473183013 IXLAAWNARVPNNE-KCLXPQBDSA-N 412.574 3.918 0 1 HHAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586960541 ZNLWCPJSPVZEFD-JOCHJYFZSA-N 423.494 3.611 0 1 HHAF O=C(O)CSc1ncccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 586966356 CEKIDAABMONPQH-UHFFFAOYSA-N 404.320 3.851 0 1 HHAF Cc1ccc2c(ccc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c32)n1 587024294 SZKUQTCCKUTEOE-UHFFFAOYSA-N 415.482 3.904 0 1 HHAF CCS(=O)(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587030145 ZOBSWQFVSZLLEF-UHFFFAOYSA-N 423.523 3.878 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3nc(Cl)c[nH]c-3n2)[C@H]1c1ccccc1Cl 587060806 GETKPCJXCPJCEB-BLLLJJGKSA-N 420.300 3.705 0 1 HHAF O=C(O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587171477 PSHPWZDRJIKPBP-UHFFFAOYSA-N 411.414 3.868 0 1 HHAF COc1ccc(-c2nc3cc(OC)cc(OC)c3[nH]2)c(I)c1 587179598 BXLJPXWYTLRHNI-UHFFFAOYSA-N 410.211 3.860 0 1 HHAF Sc1nc(S)c2nc(-c3cc(I)ccc3Cl)[nH]c2n1 587183280 WMEAZCBLRWYAQL-UHFFFAOYSA-N 420.688 3.855 0 1 HHAF COc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1OCC(=O)NC(C)C 587222639 LFQDSBMJWLNOIY-UHFFFAOYSA-N 408.380 3.556 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(I)c1)[C@@H](C2)C3=O 587428773 QQUMNRULMYCDRF-GUYCJALGSA-N 410.182 3.928 0 1 HHAF Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587508794 FJJZUXJQGJRNES-OWJWWREXSA-N 401.466 4.121 0 1 HHAF CCOC(=O)C1(C(=O)OCC)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587523659 LWHBDQJMPFFABJ-UHFFFAOYSA-N 414.498 3.956 0 1 HHAF Nc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538359 ADTJUIICKZOEKB-BEFAXECRSA-N 413.227 3.835 0 1 HHAF CCOC(=O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594747 IMXTUQQSRQNZIQ-DENIHFKCSA-N 406.390 3.977 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)nc1 587596986 STTGMLLPBJEGIF-DENIHFKCSA-N 403.438 3.875 0 1 HHAF COc1ccc(F)cc1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587734746 VKFCNCUSWIPSHI-LZVRBXCZSA-N 412.230 3.598 0 1 HHAF C/C(=C\[C@@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587744169 ZCLQIQOWRUKDJA-OUXIWXEBSA-N 405.315 3.621 0 1 HHAF CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C 587771301 FWLVNHZBPJGZBZ-BIBXISHDSA-N 403.295 3.905 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587797942 UAGDVOFMZAMRJF-APBUJDDRSA-N 405.267 3.635 0 1 HHAF CCOc1cc(N2CCN(CCc3ccccc3OC)C2=O)ccc1-c1cn[nH]c1 653735529 GDOLUKVUJFNYAX-UHFFFAOYSA-N 406.486 3.969 0 1 HHAF Nc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(Br)c1 962973342 KHLOEABEZXPSHR-IUODEOHRSA-N 417.637 3.651 0 1 HHAF CCC(=O)N1CC[C@@H](Oc2cnc3ccc(-c4ccc(OC)c(OC)c4)cc3n2)C1 1772583189 SOOIWWIBFDIDEP-QGZVFWFLSA-N 407.470 3.704 0 1 HHAF Cc1cc([C@@H]2CN(C(=O)c3ccc(F)c(C4CC4)c3)CC(F)(F)C2)n2ncnc2n1 1772585953 IURUTOVWVWABKK-HNNXBMFYSA-N 415.419 3.714 0 1 HHAF Nc1ncc(-c2ccncc2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1 1772651749 RFDIHALFERFMQM-HSZRJFAPSA-N 410.477 3.856 0 1 HHAF Cc1cc(-c2ccccc2)ccc1C(=O)N[C@@H](Cn1ccnc1)C(=O)OCC(C)C 1857557508 QLBAOHSLELZFJE-QFIPXVFZSA-N 405.498 3.856 0 1 HHAF O=C1OC[C@H](Cc2ccccc2O)[C@H]1Cc1ccc(I)cc1 1911578882 WUAVWRGEGMEHFZ-GOEBONIOSA-N 408.235 3.571 0 1 HHAF Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)n1 1346535 OHWUBYKGCGQDSI-UHFFFAOYSA-N 416.919 3.965 0 3 HHAF CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 95600124 PAQOXRAQQOCJRZ-HSZRJFAPSA-N 405.498 3.589 0 3 HHAF Brc1cccc(Nc2ncnc3cc(NCCc4c[nH]cn4)ncc23)c1 3815076 PFJRPGGNJFXXDJ-UHFFFAOYSA-N 410.279 3.909 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 4048931 HRLLCPGKQPZWTJ-VWNXMTODSA-N 421.541 3.779 0 1 HHAF COc1cc(CN2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc(OC)c1 11840489 KLVLJSZAJWLHRR-OAQYLSRUSA-N 424.541 3.647 0 1 HHAF COc1ccc2c(c1)c(CCCC(=O)N1CCNCC1)c(C)n2Cc1ccccc1 28704789 NAXLILNJUACIJM-UHFFFAOYSA-N 405.542 3.761 0 1 HHAF CC(C)[C@@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 29231094 NORIGZIQDFXCCK-QGZVFWFLSA-N 405.376 3.884 0 1 HHAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OC(F)(F)F)ccc32)c1 42879046 QYUUMKDAZNZMPB-QGZVFWFLSA-N 407.344 3.971 0 1 HHAF O=S(=O)(N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(F)cc1 45323215 ASYILWZPSJLZDM-HNNXBMFYSA-N 405.882 3.585 0 1 HHAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc(C)c2)C1 82145556 XQIGPIQCAMJEDL-RTBURBONSA-N 408.546 3.939 0 1 HHAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@@H]3CC4C[C@@H]2CC(C(C)(C)O)(C4)C3)C1 101371165 ZCQXBBVNHQBPQI-VSQSHWQMSA-N 422.566 3.688 0 1 HHAF O=C(c1ccc(Br)cc1)[C@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F 103180436 ACYNDKAARVCAAD-ZDUSSCGKSA-N 419.172 3.888 0 1 HHAF COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](C)C1 169342075 XZXXLPIPCBQIPA-GUYCJALGSA-N 410.356 3.768 0 1 HHAF Cc1[nH]c2cn(-c3ccn(C)n3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730480 JYDVRJBUBZOEEA-UHFFFAOYSA-N 402.285 3.745 0 1 HHAF Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 199133044 YJHDEETZZLDHEI-UHFFFAOYSA-N 404.513 3.733 0 1 HHAF CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 224860487 ZOVZMQGNDCGVEF-FCHUYYIVSA-N 410.514 3.886 0 1 HHAF Cc1c(C(C)C)sc2nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 299852676 WBPXTCNPPDANCI-UHFFFAOYSA-N 408.955 3.708 0 1 HHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1 586937274 XTGUNICPLUSSCM-UHFFFAOYSA-N 406.817 3.917 0 1 HHAF Cc1c(F)ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586950942 MZTPWDQQMLYBAK-UHFFFAOYSA-N 402.495 3.943 0 1 HHAF FC(F)(c1ccccn1)c1nc2c(I)cnc(Cl)c2[nH]1 587089623 FKWJSDDSJUDERN-UHFFFAOYSA-N 406.561 3.751 0 1 HHAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1 587169337 BPVGHEYAUBARIG-INIZCTEOSA-N 416.865 3.818 0 1 HHAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355471 XTATVWGNFZYCIQ-AUSIDOKSSA-N 414.429 3.807 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCn1c(O)nc3cccc2c31 587585265 CXWLNODEGUWNEQ-JPYJTQIMSA-N 400.390 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNC3=O)cc2)N1 587768112 SUDZDMOGRSYSMS-ODXCJYRJSA-N 418.310 3.916 0 1 HHAF CCOC(=O)[C@H]1CCc2ccncc2[C@@]12c1ccsc1CCN2Cc1cccn1C 962400284 UDCJOGUHWLPEAO-HYBUGGRVSA-N 421.566 3.909 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3ccsc3)c(OCc3cccnc3)ccc12 1772613593 ZAUUGHLIQDONRN-UHFFFAOYSA-N 421.478 3.727 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCCNCC1 1772632334 FEDZSKDIJDSSHJ-UHFFFAOYSA-N 416.403 3.876 0 1 HHAF O=C(CCNC1C2CC1C2)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857618889 JSLIFUPAHAMKPU-UHFFFAOYSA-N 424.595 3.997 0 1 HHAF COc1ccc(-c2cc3c(=N[C@@H](CC(N)=O)c4ccccc4)nc[nH]c3s2)cc1 1857629272 QFHLXELBUPNJNK-SFHVURJKSA-N 404.495 3.817 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356410401 KMZOVYXDQXJEON-HLFBMUMPSA-N 422.606 3.537 0 1 HHAF COC(=O)C=C(CC[C@@H]1[C@H](OC=O)C=C[C@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 2356644520 JQUOFEBUGGKARK-UGTOYMOASA-N 406.519 3.989 0 1 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(C(C)=O)c2)O3)cc1 61929719 UZBOOLWNBGDICB-JOCHJYFZSA-N 415.449 3.852 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1 4048913 GHTDULPCNUWFAT-UPVQGACJSA-N 421.541 3.779 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4050174 ZYIOCXHZWOAYOF-HDAAZOAOSA-N 416.880 3.991 0 1 HHAF COc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)(C)C)CC3)cc2c1 5950359 LOCDRXSTPCWQMU-UHFFFAOYSA-N 407.518 3.744 0 1 HHAF Cc1ccc(F)c(Nc2ccnc(Nc3ccc(OC[C@H](O)CN(C)C)cc3)n2)c1 13538018 HKTRJIILONQAFK-QGZVFWFLSA-N 411.481 3.713 0 1 HHAF Fc1ccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 22939219 FPAXHQTWHNEGRL-UHFFFAOYSA-N 418.520 3.638 0 1 HHAF COc1ccc(C2=NN(CC(=O)c3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26569200 HMKJSFGZWJJYNY-OALUTQOASA-N 406.482 3.939 0 1 HHAF C[C@@H](COCC(=O)O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 26652555 GMBVIHZWCQLUJW-WZONZLPQSA-N 416.949 3.784 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)c2ccccc2)CC1 27717936 NCJGDEWUYHFOFK-UHFFFAOYSA-N 416.905 3.683 0 1 HHAF CSCC[C@H](N)C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 45334390 UIGBDOHIJHLKII-OALUTQOASA-N 400.592 3.744 0 1 HHAF COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NCCC(F)(F)F)nnc23)c1 71281757 XLIRBKWLVJGYBI-UHFFFAOYSA-N 420.391 3.578 0 1 HHAF CCOc1ccc2cc(-c3nn(C4CCN(C)CC4)c4ncnc(N)c34)ccc2c1 84688062 OKZQYDCLJOBEOA-UHFFFAOYSA-N 402.502 3.894 0 1 HHAF COc1ccc(CCNc2nccc(-c3cccc(OC4CCNCC4)c3)n2)cc1 84689586 MAIZQKXGIJZWFZ-UHFFFAOYSA-N 404.514 3.938 0 1 HHAF CC(C)(C)CC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169361825 RHYRXROSVKTLCJ-GQTHSGKWSA-N 423.553 3.642 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCCC4)c3C)C2)cc1 169709361 YRSCJPKDOMWMHB-PGRDOPGGSA-N 408.546 3.845 0 1 HHAF Fc1cccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)c1 170112540 DCXBUQGVLPCUDG-XMMPIXPASA-N 416.616 3.983 0 1 HHAF COc1cccc([C@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccccc23)c1OC 299832596 PZXYREVGTBJHFZ-FQEVSTJZSA-N 407.422 3.516 0 1 HHAF CN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccsc3n2)CC1 473125595 RGDUAUWGDYJWLM-UHFFFAOYSA-N 422.602 3.520 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586972258 GBXSCQRIEFDEGI-HNNXBMFYSA-N 405.426 3.995 0 1 HHAF O=C1c2ccccc2-c2cc(CCN3C(=O)c4ccccc4C3=O)nc3ccc(O)c1c23 586987738 DYAMVQTXFOGFCU-UHFFFAOYSA-N 420.424 3.991 0 1 HHAF CS(=O)(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082579 SNZNQTWTIDCIHQ-UHFFFAOYSA-N 402.863 3.520 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1OC 587116115 OFVCPBQEPKQRCZ-UHFFFAOYSA-N 402.332 3.987 0 1 HHAF O=C(O)CCN(CCc1nc2ccc(F)c(Br)c2[nH]1)Cc1ccccc1 587194004 WWMJHKGIIWMBTL-UHFFFAOYSA-N 420.282 3.984 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCC(O)CC1 587237575 UPSJGQXVUDFRQP-UHFFFAOYSA-N 411.405 3.539 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCOCC3)s2)N1 587853001 KFEMEVFKUSOXMP-MGPLVRAMSA-N 412.328 3.505 0 1 HHAF COc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(O)c2)cc1OC 587926603 JMJJGSCCGXYYSV-UHFFFAOYSA-N 412.496 3.987 0 1 HHAF CCOCCOc1cccc(-c2cn([C@H]3C[C@@H](CN4CCC4)C3)c3ncnc(N)c23)c1 653746727 XXTGOVNHLGNHHK-IZAXUBKRSA-N 421.545 3.753 0 1 HHAF Cc1nn(C)cc1[C@@]1(CC(=O)C(F)F)NC2(CC2)Cc2ccc(Br)cc21 961744838 AUXAGNPYWCYYPB-IBGZPJMESA-N 424.289 3.637 0 1 HHAF Cc1ccnc2c1CCN[C@]2(c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 963070186 FICPOMUZIBCTIS-JOCHJYFZSA-N 414.477 3.509 0 1 HHAF CC(C)[C@@]1(Cc2cccnc2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963135541 DVKXUEZLQZHPNN-KKSFZXQISA-N 417.531 3.879 0 1 HHAF CN1Cc2c(C3=CC[C@@H](NCC(=O)O)CC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772626496 KAOLCTKNLQDAOO-OAHLLOKOSA-N 406.461 3.929 0 1 HHAF Cc1ccc(CN2CC[C@@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 1772628109 HKJQOALDDUBRBV-NHCUHLMSSA-N 400.469 3.926 0 1 HHAF C[C@H](C(=O)O)n1cc(-c2cccc3c2C(=O)c2ccccc2[C@@]3(O)C(F)(F)F)cn1 1857541184 WCPRXVWWCVQOSC-GIPWTMENSA-N 416.355 3.538 0 1 HHAF COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl 1857598572 BDZLGONEWSWVIH-UHFFFAOYSA-N 415.925 3.632 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356288609 HZOVZICTVIAROK-GGPKGHCWSA-N 405.589 3.578 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2F)[C@@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356397763 IHLPJISMQJUWHE-VWPQPMDRSA-N 417.550 3.655 0 1 HHAF COC(=O)CN1Cc2c(ccc([C@@]3(C)CCCC(C)(C)C3)c2[C@H](C)C(=O)O)C1=O 2356787511 BLMWJDYVYQGMIM-PSLXWICFSA-N 401.503 3.861 0 1 HHAF CC(=CC=CC=C[C@]1(C)[C@H](C)C(=O)O[C@@H]1[C@H](C)C(=O)O)[C@@H]1[C@H](C)C(=O)[C@](C)(O)[C@@H]1C 2356822285 FTWALXVHOVPIMY-HIMMTTPHSA-N 418.530 3.556 0 1 HHAF O=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCCCCO)O1 12482261 LTUMHZCUFSNUCK-VGSWGCGISA-N 411.454 3.557 0 3 HHAF C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NCc2ccco2)C1=O 20212074 QVKROKVXUOPJFW-OAHLLOKOSA-N 421.884 3.822 0 1 HHAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1Cc1sc(-c3ccsc3)nc1[C@H]2CC(=O)O 2356836528 LBSYNDMDCSIYJE-JJLDTBFASA-N 407.557 3.762 0 1 HHAF NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 64527639 DBFGZFKTRBJZCE-UHFFFAOYSA-N 422.293 3.955 0 1 HHAF O=C(NC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 35879160 RAUHDNCAWVVITH-UHFFFAOYSA-N 419.456 3.808 0 1 HHAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3C[C@H](C4=CC(=O)O[C@@H]4O)O[C@]3(CO)CC[C@@H]12 15157157 AMIQGLQWLCFFRC-CHNPFMASSA-N 418.574 3.967 0 1 HHAF biogenic COc1cc2nc(NC[C@@H]3CCCO3)nc(NCCc3ccccc3)c2cc1OC 82128724 UNSUCOYLIBXSMF-KRWDZBQOSA-N 408.502 3.893 0 1 HHAF CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081583 IJMZBZNKOJRCMD-HNNXBMFYSA-N 406.504 3.615 0 1 HHAF Cn1ccc2cccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c21 225083084 YEHGKJQQEBRSAJ-UHFFFAOYSA-N 415.478 3.984 0 1 HHAF 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DRWUCRUVKRNBCJ-NZQKXSOJSA-N 406.390 3.516 0 1 HHAF O=C1C[C@@H](Cc2nc3cccc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 587004413 UPVDEOQLZDZPEG-SECBINFHSA-N 401.216 3.659 0 1 HHAF Cc1cc(C)c([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587825129 FVFQQLMOJYJVPR-ZUOKHONESA-N 408.311 3.602 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(O)c(C(=O)O)cc21 587488108 HJKTUVCGGFLACX-QHCPKHFHSA-N 411.454 3.977 0 1 HHAF COC(=O)c1ccc(C=O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587809109 QLBMOVDQXQEGHG-MGNBDDOMSA-N 406.251 3.811 0 1 HHAF COC(=O)c1coc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618291 UCLQUJRXPZVBTF-AUSIDOKSSA-N 406.390 3.965 0 1 HHAF CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)CC(=O)c2cc(C)cc(N)c2O1 587382163 PBPMPODTCSPJRD-NRFANRHFSA-N 423.387 3.817 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C[C@@H]3CCCO3)C[C@H]2C)N1 587763422 YZMKNGCFWGITSK-DHYLWCPWSA-N 411.359 3.839 0 1 HHAF COc1ccc([C@]2(COC(=O)c3cc(C)ccc3O)NCCc3c(C)ccnc32)cc1 963071564 JUUVWRLYMPFRPV-VWLOTQADSA-N 418.493 3.659 0 1 HHAF 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CC[C@@H](C)n1ncc(I)c1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 587180717 KEPGETAONVASBA-SSDOTTSWSA-N 422.230 3.584 0 1 HHAF CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)C1 587581834 JFAHCGQAPYYQQM-JKHABCDFSA-N 411.498 3.861 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)s2)N1 587844870 CJRGKVPWTAYISC-ADLMAVQZSA-N 410.356 3.683 0 1 HHAF CC(C)[C@H](N)[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924819 HCZAZIXUGZYBOK-BJLQDIEVSA-N 424.419 3.524 0 1 HHAF COC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963637517 SNWKTPCADKXYLS-MCMMXHMISA-N 417.889 3.533 0 1 HHAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNS(=O)(=O)c2cccc(F)c2)C=C1C 2356313135 RAUAATRSDSXCBN-SQGPQFPESA-N 411.539 3.912 0 1 HHAF CC=C(C)C(=O)O[C@@H](COc1c2occc2c(OC)c2ccc(=O)oc12)C(C)(C)O 2356567373 QUSMURJIBTWAOP-HNNXBMFYSA-N 416.426 3.576 0 1 HHAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 61896063 YMGAFLMAYCXRJO-JOCHJYFZSA-N 401.466 3.959 0 3 HHAF O=C(NC[C@H]1CCCO1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 673763 HPKDGRQQSDMWPV-IJEWVQPXSA-N 412.387 3.591 0 1 HHAF CCOc1ccc(-n2nc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1 2942911 RAPCVNQSYAFTDS-IAGOWNOFSA-N 405.498 3.903 0 1 HHAF Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1 6915365 FHSJVRFOMDNILO-UHFFFAOYSA-N 418.884 3.732 0 1 HHAF COc1ccc(CCC(=O)CC(=O)CCc2ccc(OC)c(OC)c2)cc1OC 27560020 UPAMFNILWFQMHT-UHFFFAOYSA-N 400.471 3.815 0 1 HHAF CC(C)[C@H](O)Nc1nc(Nc2ccc(-c3cncnc3)cc2)c2ncn(C(C)C)c2n1 103197172 FHDFIUFWMGMGTR-NRFANRHFSA-N 418.505 3.994 0 1 HHAF CC(=O)OCC1(N(C(C)=O)c2ccccc2)CCN(CCc2cccs2)CC1 28105688 GCOWOXFRYUGTSS-UHFFFAOYSA-N 400.544 3.741 0 1 HHAF COc1ccncc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21 36348577 SYHWFYZTLQDVEP-UHFFFAOYSA-N 407.430 3.594 0 1 HHAF O=C1[C@H]2CCCN2C(=O)N1CCCCCCCCNC[C@H]1CCc2ccccc2O1 38239402 JXAQAPJCKXJXJW-NHCUHLMSSA-N 413.562 3.737 0 1 HHAF NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c1[nH]c1cc(-c3cn[nH]c3)ccc12 72123172 XFHDMYNLGPVHLJ-QGZVFWFLSA-N 414.391 3.958 0 1 HHAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2[C@H](C)F)n1)c1cn(-c2ccc(F)cc2)cn1 217401379 QPJBWMOBPCRKLJ-DCGLDWPTSA-N 414.416 3.658 0 1 HHAF COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(N)c2)cc1 72126267 PBZAPTIRZODJMO-UHFFFAOYSA-N 406.467 3.797 0 1 HHAF O=C(O)CC[C@@H](O)c1ccc(OCc2ccc(I)cc2)cc1 45495952 CAAOZNRPRRVPHD-MRXNPFEDSA-N 412.223 3.768 0 1 HHAF CCS(=O)(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C 45370242 XFZGKJYILSESDD-PZJWPPBQSA-N 420.962 3.742 0 1 HHAF Cc1cc(COc2ccc([C@@H]3C[C@@]4(C[C@@H]4C(=O)O)C(=O)N3)cc2)c2ccccc2n1 40891545 UULCKRRPZZHFCH-NHCICSSKSA-N 402.450 3.774 0 1 HHAF CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21 49067303 XSGGRILSKJJOSZ-UHFFFAOYSA-N 413.562 3.895 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(C(=O)CCCN3CCCC3)cc1)C2 40848250 NHCYSCZRGKNAEJ-XMMPIXPASA-N 423.509 3.949 0 1 HHAF CN(CC[C@H]1CN(C(=O)COc2ccccc2)CC[C@H]1CC(=O)O)c1ccccc1 20463463 PCSVOSMLIPYKMB-PMACEKPBSA-N 410.514 3.531 0 1 HHAF biogenic CC1(C)OC(c2ccc(S(N)(=O)=O)c(Cl)c2)=C(c2cccc(Cl)c2)C1=O 138274884 CXMIAGJIAVOBCZ-UHFFFAOYSA-N 412.294 3.887 0 1 HHAF Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(C)(=O)=O 43122191 SUQWCANQHRRQKR-UHFFFAOYSA-N 414.483 3.835 0 1 HHAF Cc1cc(NCCC(=O)NCCOc2ccccc2)nc(NCc2ccccc2C)n1 45167141 LGKOUJJGLYZWBK-UHFFFAOYSA-N 419.529 3.703 0 1 HHAF COc1cc(-c2cc(OCC3(CC(N)=O)CC3)c3cccnc3c2)cc(OC)c1OC 146151068 WUOTULMFNCKIGT-UHFFFAOYSA-N 422.481 3.962 0 1 HHAF CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@@H]1CO 95877970 PSHIFIWLVUIOGD-PUZWTLIVSA-N 417.484 3.902 0 1 HHAF COc1cc(O)c([C@@H](CC(=O)NC2CCCC2)c2ccc3c(c2)OCO3)c(OC)c1 95597146 NOTZFBVXTNKNGV-KRWDZBQOSA-N 413.470 3.719 0 1 HHAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C=O)c1 587591626 HGTVEORUTDQFAM-UGKGYDQZSA-N 404.374 3.694 0 1 HHAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1 587169647 FWHFKMUEFPCSRE-QGZVFWFLSA-N 416.865 3.818 0 1 HHAF CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527468 WYEVHHURJGYVIY-WZONZLPQSA-N 402.487 3.812 0 1 HHAF CCN(c1ccc(-c2csc(-c3ccc4nonc4c3)n2)cc1)S(C)(=O)=O 587923512 UPLOTUNLAIAYCZ-UHFFFAOYSA-N 400.485 3.799 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2N)N1 587678359 CLCDOXAPSXGENP-NZFNHWASSA-N 415.104 3.952 0 1 HHAF Cc1nc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2cc1Br 587193893 VGQXXXFNEMYBMN-UHFFFAOYSA-N 417.307 3.548 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079371 DARCLXBIRPFCNL-SFHVURJKSA-N 405.907 3.971 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccnc1-c1ncccc12 587589919 YVOHTNMDUSHTMQ-CLOONOSVSA-N 422.396 3.903 0 1 HHAF O=C(NCCc1nc2ccc(I)cc2[nH]1)OCc1ccccc1 587228130 JICPOOZMZNKITR-UHFFFAOYSA-N 421.238 3.636 0 1 HHAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587011470 KHJNFEOFMFBUHN-UHFFFAOYSA-N 412.540 3.836 0 1 HHAF CCOC(=O)[C@H](CC)[C@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793954 OJXBDHRIDICBOC-YNKQFZHNSA-N 402.304 3.553 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2cccc(Br)c21 587459293 NXZNANILQMAISP-FQEVSTJZSA-N 416.271 3.944 0 1 HHAF Cc1[nH]c(C)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1C=O 963202340 YXCHAHMCVOVMPF-LRDDRELGSA-N 400.784 3.805 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCCS(=O)(=O)c3ccc(C)cc31)N(C)[C@@H](C)C2 962629434 HQOUEOMABWNPHY-QMHKHESXSA-N 415.555 3.700 0 1 HHAF Nc1ccccc1C(=O)NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1 13608806 WCPFRPNMWXGWQY-ONEGZZNKSA-N 419.356 3.684 0 1 HHAF COc1cccc2c1CCC(=O)N2CCCN1CCN(c2ccccc2Cl)CC1 13803871 PMGNBVHFJBEVKH-UHFFFAOYSA-N 413.949 3.840 0 1 HHAF COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)[C@@H]1CCCO1)C2 14967786 LKDKEUBUFAIGLH-IBGZPJMESA-N 417.889 3.924 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCCCN3)C2)cc1)N1Cc2ccccc2C1 166892267 VDAVNTHODZEGHU-RUZDIDTESA-N 418.541 3.983 0 1 HHAF Cc1ccc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)cc1 209722878 LACBASXDMHFSOO-OAQYLSRUSA-N 418.493 3.912 0 1 HHAF C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Br)C(F)(F)F 1539873 DVKXFUZHRJKQPE-MRXNPFEDSA-N 416.193 3.932 0 1 HHAF Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)Nc1ccc(F)cc1F 6915290 NSBSCVLAPCEIRU-UHFFFAOYSA-N 406.392 3.679 0 1 HHAF CCCc1cc(O)cc(O)c1C(=O)Oc1c(O)cc(CCC)c(C(=O)O)c1OC 14695483 FAGYSFQQPBKJFZ-UHFFFAOYSA-N 404.415 3.634 0 1 HHAF biogenic O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NCc2cccs2)c1=O 25407887 VCMOFZGQXVWPHB-AEFFLSMTSA-N 405.523 3.781 0 1 HHAF biogenic CCc1nc2c(C)cc(C)nc2n1Cc1cc(Br)c(O)c(C(=O)OC)c1 26188941 NRLLDOFDTNWCGN-UHFFFAOYSA-N 418.291 3.914 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 27205835 MLCQZKBAXURDER-OAQYLSRUSA-N 410.470 3.957 0 1 HHAF COC(=O)c1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1 35075223 WIDFGVZFEPVCRU-QRJOEMBSSA-N 408.542 3.663 0 1 HHAF COc1cc(Nc2nc(N[C@H]3CCCC[C@@H]3C)n3ccnc3c2C(N)=O)cc(OC)c1 40404822 FOGAMHNVNPPKSU-GUYCJALGSA-N 424.505 3.580 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(OC(C)=O)c(OC)cc3ccnc(c13)CC2 84651954 BXSQIGHDYGXCOC-UHFFFAOYSA-N 409.438 3.960 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@@H]4C3=O)[C@@H]3C[C@H]53)c2)cc1 169295364 ZHDUETSVHPQFSE-UQOPEDAQSA-N 414.461 3.505 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 169323700 SZDSCLOAPYDVBU-UAVMXWPGSA-N 402.579 3.513 0 1 HHAF Cc1ccc(-c2noc([C@@H]3CCN3C(=O)c3cc(C)ccc3-n3nccn3)n2)cc1 218046157 PHLLBPHOKSJLQV-IBGZPJMESA-N 400.442 3.521 0 1 HHAF CN1CCN(CCNc2nc3ccc(Cl)cc3c3c2C(=O)c2ccccc2-3)CC1 299833714 IGJAWMANMIHVRY-UHFFFAOYSA-N 406.917 3.759 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 586950138 BFGHZABEKYJTJQ-UHFFFAOYSA-N 406.336 3.651 0 1 HHAF Nc1nc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cs1 587021731 PQMFNFNAUNQRQE-UHFFFAOYSA-N 415.482 3.995 0 1 HHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 587125914 HKAOPDNHUSUYBX-LHLIQPBNSA-N 401.190 3.891 0 1 HHAF CCCc1nc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)nn1-c1ccccc1F 587156835 SQMGWYDLHOLEBN-UHFFFAOYSA-N 409.421 3.697 0 1 HHAF COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1C 587188144 OUVZYWBOAXNDQE-UHFFFAOYSA-N 404.211 3.799 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cncc(Br)c3[nH]2)CCC(=O)CC1 587235790 UIQDPXQZPKPZJP-UHFFFAOYSA-N 409.284 3.584 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355276 UBVIFFWLISDNJR-MBPAZGTNSA-N 424.424 3.719 0 1 HHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCNC(C)=O 587510892 HSQNDQJGMXIGSZ-QFIPXVFZSA-N 409.482 3.795 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(F)cc2)n1 587573779 XOLJYQDXSNTCLW-KNQAVFIVSA-N 403.369 3.815 0 1 HHAF C[C@@]1(c2cccc(OCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597481 UUMXJJGJTNGOCS-REWPJTCUSA-N 406.390 3.733 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3cccnc3)c(=O)c3ccccc23)cc1OCC 587670508 ZLMIQIQOPXBTTL-UHFFFAOYSA-N 415.449 3.944 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccccc3c2=O)N1 587746687 NZRCVUWUVMCSRF-HUTHGQBESA-N 403.251 3.900 0 1 HHAF c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1ncc(-c2cnccn2)[nH]1)C3 653726653 YATPYAUAVXRETC-WIYYLYMNSA-N 400.486 3.703 0 1 HHAF O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2 653863944 FPLHVKDUVQOWKV-UHFFFAOYSA-N 404.514 3.579 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccccc2)(c2ccc3nc(S)[nH]c3c2)N1 962905332 ZXOAJMUVMYMJEL-CVDCTZTESA-N 419.481 3.882 0 1 HHAF Cc1c(O)ccc2c1[C@]([C@@H](C)OCc1ccccc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963547945 CJVUKLVUGREKKF-JOTOCRJQSA-N 409.404 3.662 0 1 HHAF Nc1c([C@H](O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3 1857596839 ANNRDPJKNDKBJH-LJQANCHMSA-N 404.495 3.818 0 1 HHAF COc1ccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1OC 1857596895 KOHILDGSKIKGKY-UHFFFAOYSA-N 412.442 3.920 0 1 HHAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@H]2[C@H]1OC(=O)C=Cc1ccc(O)cc1 2356559744 MJYKKLXXDFOCHW-JKAQCFFJSA-N 402.531 3.911 0 1 HHAF COc1ccc([C@@H]2C[C@H](c3cc(O)c(OC)c(OC)c3)[C@H](OC)CO2)cc1OC 2356665027 RBYCDKILRBFDGS-FYINFDKHSA-N 404.459 3.687 0 1 HHAF CC(C)COC(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 61898557 YNUNUZPHEISVOL-MRXNPFEDSA-N 415.446 3.975 0 3 HHAF O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1CCc1ccccc1F 95566308 XZVOUQJNMLKVME-QFIPXVFZSA-N 413.456 3.648 0 3 HHAF CCCCCC(=O)N1CC[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)[C@@H](CC)C1 5412816 XXMMMGABMLFVNE-OALUTQOASA-N 402.535 3.877 0 1 HHAF biogenic CCSC1=NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccccc1 7006428 DDFCJDQSATYIFX-UHFFFAOYSA-N 413.568 3.822 0 1 HHAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccc(F)cc3)CC1)OCC2 13756581 PAHAVOZGHBZJNZ-NRFANRHFSA-N 400.494 3.669 0 1 HHAF CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2COC(C)=O)c1C 13820742 QVTOXGVMWHKHEO-HHHXNRCGSA-N 403.529 3.680 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@]4(CC2)CN(CCCCc2ccccc2)CC[C@]314 29319669 QUEDELDXIVCSTN-IXDWGBGWSA-N 417.549 3.983 0 1 HHAF COc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 35901628 ZYLNWRNABCUAJU-UHFFFAOYSA-N 415.856 3.785 0 1 HHAF Cc1cc(NCCC(=O)NCCc2ccccc2)nc(NCCc2ccc(F)cc2)n1 45210667 HHZZCLPERXKEHN-UHFFFAOYSA-N 421.520 3.740 0 1 HHAF COc1ccc(Cn2nccc2[C@H](C)NS(=O)(=O)c2ccc(Cl)s2)cc1 45284357 OBIISFARWOQBOD-LBPRGKRZSA-N 411.936 3.694 0 1 HHAF CCCCNC(=O)c1ccc(CNC(=O)c2coc(-c3ccc4c(c3)OCO4)n2)cc1 82081781 ZEZZSENSDVGXIR-UHFFFAOYSA-N 421.453 3.530 0 1 HHAF COC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1 96168779 SXHKWAOUAIXJSN-UHFFFAOYSA-N 419.529 3.688 0 1 HHAF COc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1-n1cnc(C)c1 103225484 IGAGTTQHWLTTFZ-NRFANRHFSA-N 404.514 3.584 0 1 HHAF C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21 117698726 AKWFWIHZLMHBGJ-AWEZNQCLSA-N 415.453 3.562 0 1 HHAF C[C@H]1[C@H](Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C[C@@H]2C[C@H]1C2(C)C 216198098 LQCWTVZGJKBTDW-KVQFHVITSA-N 403.903 3.618 0 1 HHAF Cc1nccc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 586955128 URCBCVGCDAAKOQ-UHFFFAOYSA-N 406.511 3.988 0 1 HHAF FC(F)(F)c1ncc2nc(Cn3c(-c4cscn4)nc4ccccc43)nc-2[nH]1 587028843 ADPIUAGDWDEZDM-UHFFFAOYSA-N 401.377 3.845 0 1 HHAF COC(=O)c1ccnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 587080507 DXUYCWIRHOJPQI-UHFFFAOYSA-N 404.817 3.775 0 1 HHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587166811 AEMSNYPVSSOPBF-OAQYLSRUSA-N 423.492 3.903 0 1 HHAF CCc1cccc2c([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn(CC(=O)O)c12 587430202 FVRVAYASZLPGCB-MZNJEOGPSA-N 405.450 3.960 0 1 HHAF O=C1C[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)Oc2c1ccc1c2CCCC1 587507550 NGJJGBXGHKILLR-OAQYLSRUSA-N 404.434 3.882 0 1 HHAF C[C@]1(CC(=O)NCCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567976 AXEYXZADAVCTMV-RCZVLFRGSA-N 417.461 3.862 0 1 HHAF O=C(Nc1ccc(CCO)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659830 FFNUFAYPXLYYAT-UHFFFAOYSA-N 403.413 3.818 0 1 HHAF COCCn1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587759834 WBUFKKZCDFJXNC-JEOXALJRSA-N 410.331 3.846 0 1 HHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587785875 PGNKQFSQJLEQRO-DLBZAZTESA-N 415.453 3.566 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3Cc4ccccc4N[C@H]32)N1 587793023 PZYRDZWPXIHQST-TVNIXMEMSA-N 402.311 3.975 0 1 HHAF CC(C)(C)OC(=O)N1CCC(Cl)=C([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)C1 962916403 DEAZQUUQAVPNQU-DLBZAZTESA-N 410.873 3.599 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2ccc(-c3ccccc3)cc2)NCCc2c(C)ccnc21 963064619 BGRHNVDTLINAQO-VWLOTQADSA-N 400.478 3.844 0 1 HHAF O=C1C[C@H](c2ccc(F)cc2)[C@H](n2cncn2)[C@]2(C1)NCCc1cc(Cl)ccc12 963391682 WUBBVSNPVXTGHV-BAGYTPMASA-N 410.880 3.800 0 1 HHAF COC(=O)C[C@@H](C)[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441325 CHMUPUIEDFUEPO-LNHNDHHWSA-N 420.465 3.560 0 1 HHAF Cc1ccc(CN2CC[C@H](N3CC[C@@H](c4ccc(O)cc4)[C@H](F)C3)C2=O)cc1F 1772629095 LAKBGWVRKNIOGO-NNWRFLSQSA-N 400.469 3.768 0 1 HHAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NC3(CN)COC3)c2c1 1857644980 LDHDNVRPASCZTE-UHFFFAOYSA-N 406.505 3.775 0 1 HHAF COc1cc(NC(=O)C[C@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)cc(OC)c1 205222592 KBACGYWXBRRWJW-HXUWFJFHSA-N 403.866 3.726 0 3 HHAF O=c1oc2cccnc2n1CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1 1855828 VCEPZHQCTXYJBF-UHFFFAOYSA-N 416.481 3.604 0 1 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 4045368 UTJZWHQMCJFVKZ-JTHBVZDNSA-N 419.481 3.633 0 1 HHAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 4048932 HRLLCPGKQPZWTJ-LADGPHEKSA-N 421.541 3.779 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4204885 FWVVOHJECSTCGD-WPYKKVEZSA-N 420.465 3.620 0 1 HHAF Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@H](C)N[C@@H](C)C4)cc32)c(C)c1 5930849 XTITXBINAHKLTQ-HOTGVXAUSA-N 423.488 3.631 0 1 HHAF C[C@]12C(=O)N(c3nc4ccc(OC(F)(F)F)cc4s3)C(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1 29123694 UCMLAGLRLOPBAX-PRRDBKRISA-N 412.389 3.642 0 1 HHAF Cc1ccc(CN(Cc2cc(-c3ccccc3)on2)[C@@H](CCCCN)C(N)=O)cc1 29558858 WRLOXMUVVVJKCR-QFIPXVFZSA-N 406.530 3.635 0 1 HHAF Cc1ccc(CNCC2(F)CCN(C(=O)c3sccc3-n3cccc3)CC2)nc1 64527229 WBTCRIZFHFIRNZ-UHFFFAOYSA-N 412.534 3.976 0 1 HHAF O=C(c1cn(CC(F)(F)F)cn1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71330276 HIFURZHDSOPSKN-IMFGXOCKSA-N 407.436 3.738 0 1 HHAF O=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)n3)cc21 71333282 YZAILENMJOUFMG-UHFFFAOYSA-N 409.493 3.657 0 1 HHAF COc1ccc(C[C@H](OC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C(=O)O)cc1OC 95592218 LHOAIXCOUKYUPX-OPUMOTSWSA-N 424.371 3.975 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4cc(F)c5ccccc54)ccc31)[C@H]1CC[C@H](C2)N1 100633017 ZQLSMXSBVUVKMZ-FZKQIMNGSA-N 409.486 3.858 0 1 HHAF COc1cccc(-n2nnc(C3CC3)c2C(=O)N(C)c2ccc(C(F)(F)F)nc2)c1 103297781 SIYIDLQTFQVRDM-UHFFFAOYSA-N 417.391 3.844 0 1 HHAF O=C(O)c1ccc(O)c(-c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)c1 142342750 LZPNQSPLDCXMGW-UHFFFAOYSA-N 406.346 3.648 0 1 HHAF CCCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707018 HSILTNCJWLYUHX-KRWDZBQOSA-N 406.461 3.706 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3ccccc3Cl)no2)c1 218140400 GLQGXTZSKHQCMH-SFHVURJKSA-N 420.860 3.866 0 1 HHAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1 222973396 IKRIVXIHNWUJSH-UHFFFAOYSA-N 407.904 3.726 0 1 HHAF CC(=O)O[C@@H]1CC[C@](C)(OC(C)=O)[C@H]2O[C@@H](C[C@@]1(C)O)[C@@H]1C(C)=CC[C@@H](C(C)C)[C@@H]12 238786873 ZPPYQLRSVSXFFE-YGAFNDJJSA-N 422.562 3.797 0 1 HHAF O=S(=O)(NCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)s1 586942940 RQSPTVQJCJUBQQ-UHFFFAOYSA-N 424.704 3.658 0 1 HHAF O=S(=O)(Cc1nc2c(Cl)ccnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951517 XAISJXYHCDGHOC-UHFFFAOYSA-N 405.911 3.544 0 1 HHAF O=C(O)c1cc(F)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587001291 DRFUOIWZOAGHOA-UHFFFAOYSA-N 403.211 3.755 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)ncc3[nH]2)C(F)(F)C1 587132166 LQSRENISTPULLP-QMMMGPOBSA-N 403.227 3.690 0 1 HHAF COC(=O)c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cn1 587166177 OLQJBJCZYJCPAV-UHFFFAOYSA-N 407.430 3.851 0 1 HHAF c1cc2c3c(cc(-c4ccc5c(c4)OCCOCCOCCOCCO5)nc3c1)CC2 587215667 LOCCHGRGTRRQGS-UHFFFAOYSA-N 421.493 3.821 0 1 HHAF CCN1CCN(c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2F)CC1 587427350 SUGJHQMYYKVZHO-HOYKHHGWSA-N 410.489 3.639 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(OC(C)(C)C(=O)O)ccc41)[C@@H](C2)C3=O 587441959 WFFFGVYKYMWNEL-MHECFPHRSA-N 408.450 3.916 0 1 HHAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 587561528 SOGJZVXWNLVFKR-TZTOUKKISA-N 407.514 3.773 0 1 HHAF Cc1ccnc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576652 HOYXGXRBXLYPAK-NFBKMPQASA-N 404.422 3.845 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587708884 FRVKNAAWCCHPTL-ANRSDYALSA-N 404.205 3.736 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCN(C)CC2)N1 587764258 CQNNWRZISRAMNQ-LHSJRXKWSA-N 418.354 3.964 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCC(=O)O)c2)N1 587790038 DTWJUCPEAAVAGC-NSPYISDASA-N 408.267 3.849 0 1 HHAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(C=C(Br)CCC2)N1 962623041 BBCFJOCUWCWYMI-ZFWWWQNUSA-N 406.198 3.842 0 1 HHAF COC(=O)CN1C=C[C@]2(c3ccccc31)c1cccc(F)c1CCN2[C@H]1CCSC1 962698024 CNCODFYJCCYEGA-BXKMTCNYSA-N 424.541 3.940 0 1 HHAF Cn1ncc2c([C@@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)cccc21 962915499 AGDCLXPGKSADCU-GMAHTHKFSA-N 415.449 3.760 0 1 HHAF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@H]1C1CC1 963074460 OXYWZLIYCZJCPJ-ABSDTBQOSA-N 400.475 3.616 0 1 HHAF O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 1772570727 DTDFSCZVRZVRLV-UHFFFAOYSA-N 424.856 3.836 0 1 HHAF Oc1ccc(-c2ccc3[nH]cc(-c4nnco4)c(=NCCCn4ccnc4)c3c2)cc1 1857561810 QPDSYUCCOUVJKY-UHFFFAOYSA-N 412.453 3.778 0 1 HHAF COc1ccc2nc(C[C@H]3CN(C(=O)C4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302609 BPXDVZVIYXGJNZ-SJORKVTESA-N 413.518 3.634 0 1 HHAF CN1C(=O)[C@H](OC[C@@H]2COC(C)(C)O2)N=C(c2ccccc2)c2cc(Cl)ccc21 3599125 JUMFEAXDHKDELJ-UZLBHIALSA-N 414.889 3.648 0 1 HHAF COc1cc(OC)c2c(=O)c(OC)c(-c3cc(OC)c(OC)cc3OC)oc2c1 14436498 HWMGTYHXLRBKSP-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF biogenic,in-vitro CN(C)[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 45355968 ADEIHMYSULIEAK-GOSISDBHSA-N 420.538 3.689 0 1 HHAF CCN1CCN(c2nc(NCC3CCCCC3)c3cc(OC)c(OC)cc3n2)CC1 82125403 KUJABWDXWATWHA-UHFFFAOYSA-N 413.566 3.781 0 1 HHAF Cc1ccc(Oc2cccc(CN3CCC[C@@H](n4cc(C)c(=O)[nH]c4=O)C3)c2)cc1 95574651 YMESTQZRALYQOC-HXUWFJFHSA-N 405.498 3.783 0 1 HHAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(N)cc2)CC(=O)O1 253854650 RVMZZZQUGVALPS-PRHHUSOWSA-N 405.560 3.539 0 1 HHAF COc1cc(Nc2nc3n(n2)CCC[C@H]3c2ccc(F)cc2)ccc1-n1cnc(C)n1 299833066 NORCRZDORGFXKI-SFHVURJKSA-N 419.464 3.984 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 586943604 ARNJZUMRXOJVGI-UHFFFAOYSA-N 401.488 3.952 0 1 HHAF COC(=O)c1cccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c12 587112536 KXQPMTUVXCFHPY-LJQANCHMSA-N 405.376 3.768 0 1 HHAF CC(C)[C@@H](c1nc2c(S)nc(S)nc2[nH]1)N(C)C(=O)OCc1ccccc1 587198972 SYJKXZQTJQQCIC-ZDUSSCGKSA-N 403.533 3.896 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C 587239942 PGIBWTPKNGBBSE-DJHSXXLPSA-N 407.902 3.513 0 1 HHAF C[C@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337069 OGUYUGHISMXUQJ-NZQKXSOJSA-N 407.397 3.610 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 587350718 YAOXAUCFZSLJEA-NZQKXSOJSA-N 401.397 3.952 0 1 HHAF CCOC(=O)C[C@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355505 DOJGNZSILAFPMP-IEIRFRATSA-N 414.429 3.761 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)O2 587382302 ORZOYLKXFDEVME-GOSISDBHSA-N 413.417 3.501 0 1 HHAF CCc1c(C)[nH]c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](CN1CCOCC1)CC2 587398475 HSDBLYMRRNWVGZ-GKVSMKOHSA-N 423.557 3.531 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)C[C@H]1F)[C@@H](C2)C3=O 587426664 FBGXERIQKBHPSS-GEQKSPFYSA-N 411.429 3.562 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)cc2Br)N1 587677764 BFBMDQLSHIQRFO-WJWGPLDTSA-N 403.093 3.708 0 1 HHAF Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709213 JLNUSFJFPKRVSX-VXJOIVPMSA-N 406.221 3.970 0 1 HHAF Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587711996 ZDZQRWVIICWIMQ-ANRSDYALSA-N 406.221 3.970 0 1 HHAF COCCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587739165 GDJKONDSFRZMKP-BUXKBTBVSA-N 408.315 3.689 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3s2)(C(O)O)N1 587855463 GHBDWFSYKPPRDQ-GIGQVBGESA-N 422.319 3.891 0 1 HHAF Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962898080 MEFIMCFYTBEHKB-OYHNWAKOSA-N 402.466 3.588 0 1 HHAF COc1ccccc1[C@]1(c2oc3cccnc3c2N)NCCc2c(C(=O)O)cccc21 963121112 JBOUZGUSEMFWRZ-XMMPIXPASA-N 415.449 3.554 0 1 HHAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc(N)cc1N 963863252 ROSWVWBJUWSNJP-IIBYNOLFSA-N 411.502 3.885 0 1 HHAF COc1ccc(-c2cn(Cc3cc(-c4ccc(OC)c(OC)c4)no3)nn2)c(C)c1 1857650464 LKGOHQHUBWUNIS-UHFFFAOYSA-N 406.442 3.983 0 1 HHAF OC[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3c(-c4cccs4)ncnc32)[C@H](F)[C@@H]1O 1857656501 XAMXPVYEZXUJJX-FCFFQYRPSA-N 419.865 3.555 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@@H]1O 2356821537 GBZKBMKOFSFJKG-NTQIJQMUSA-N 406.611 3.645 0 1 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2ccc(F)c(F)c2)nn1 203462993 AMXAQVBMINJPMS-UHFFFAOYSA-N 411.412 3.555 0 3 HHAF COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO 769022 CXDTWLYEAJEXIS-UYAOXDASSA-N 416.905 3.575 0 1 HHAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049316 NEAVIXCFIBOSNW-VIZZQPHQSA-N 403.885 3.637 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@@H](C)[C@H](C)C2 15270674 IHVGPKYZFAVXGZ-LIBAHTEVSA-N 402.443 3.675 0 1 HHAF biogenic CC[C@]1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1 24545154 BHXQPTQYAMMHQJ-LJQANCHMSA-N 404.513 3.815 0 1 HHAF CCOC(=O)CCN1CCN(c2cc(-c3ccccc3)nc3nc(C)ccc23)CC1 26749867 IWDYDSAEPJGCCN-UHFFFAOYSA-N 404.514 3.680 0 1 HHAF COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 28817413 CLXMUYLJOYEQAM-UNMCSNQZSA-N 422.481 3.542 0 1 HHAF O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)c1ccccc1 29057794 BZRLISHRGIZKAY-UHFFFAOYSA-N 423.060 3.624 0 1 HHAF COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1 38225519 OMGFHJJVBNGXBW-UHFFFAOYSA-N 407.558 3.920 0 1 HHAF in-vitro CC(=O)N[C@H](c1ccccc1)C1CN(C2CCN(C(=O)c3c(C)cccc3C)CC2)C1 40894728 CMZXSEAOIFLVLB-RUZDIDTESA-N 419.569 3.717 0 1 HHAF CCN1CCC(N(C)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 49113147 ZVFRNYFWZZIAIU-UHFFFAOYSA-N 413.525 3.858 0 1 HHAF O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95877335 RCAQIFAZPLCEIE-UEVCKROQSA-N 403.457 3.878 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)C(=O)C2 100640468 OHUVWMVXSQSNNS-GAJHUEQPSA-N 417.546 3.911 0 1 HHAF CCC(=O)N(c1ccccc1)C1(C(=O)OC[18F])CCN(CCc2ccccc2)CC1 101068538 DYTXUBOMMGLAOE-FNNGWQQSSA-N 411.508 3.977 0 1 HHAF O=C(COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc(F)cc1 101216028 LQCKGNBDIKFRTN-XWOVPUAZSA-N 417.436 3.645 0 1 HHAF O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637737 PGTODXDQJMSMLR-REPLKXPHSA-N 404.539 3.954 0 1 HHAF C[C@H](Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12)c1ccccc1 143350563 MCLONHLCKZZKOY-HNNXBMFYSA-N 415.497 3.791 0 1 HHAF COc1cc(CCNCc2ccc(F)cc2)ccc1NC(=O)Nc1cnc(C)cn1 147578087 UWXOKPBJSNFMSU-UHFFFAOYSA-N 409.465 3.909 0 1 HHAF Cc1ccc(C2=NN[C@@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 169327198 GJXRCQUWMGJZHI-DIOULYMOSA-N 400.326 3.906 0 1 HHAF CCN(c1ncc(F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203539124 HTNWJOZFEVRYKV-AWEZNQCLSA-N 402.857 3.692 0 1 HHAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@@H]1CNCCO1 230815441 CZJFENQAHHOVJX-ZDUSSCGKSA-N 418.856 3.542 0 1 HHAF CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NC)CC2 473210180 JKCYUIBVMXBRCG-GOTSBHOMSA-N 400.588 3.719 0 1 HHAF CN(Cc1nc2ccc(Br)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929292 SIEIMPDXNDNNKR-UHFFFAOYSA-N 414.712 3.800 0 1 HHAF CN(C)C(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018486 DGZQEXHFNKLROG-UHFFFAOYSA-N 420.494 3.750 0 1 HHAF COc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cc1Cl 587259771 MKCBDXPFGYUQPM-HNNXBMFYSA-N 402.882 3.931 0 1 HHAF COc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587419203 KCPBLBMZQDAPOU-QVKFZJNVSA-N 402.830 3.865 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3coc(C)n3)c(=O)c3ccccc23)c(O)c1 587664689 GWVMSZAYEHZBSD-UHFFFAOYSA-N 418.453 3.600 0 1 HHAF COc1ccc(OC)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587868177 WOWSBZZRSPPDGQ-UHFFFAOYSA-N 407.348 3.678 0 1 HHAF COc1cccc2c1CCC[C@@]21c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962663517 JYQLIRUWIYSDPR-JWQCQUIFSA-N 402.494 3.922 0 1 HHAF Cc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCC3)CC2)CC1 1772630576 FPHJSGKRUFPBFZ-UHFFFAOYSA-N 423.605 3.584 0 1 HHAF COc1ccc(N2N=C(C)[C@@H](C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cc1OC 1857588604 ZAXTYABCDPAXMO-SFHVURJKSA-N 417.412 3.793 0 1 HHAF O=C(O)CCc1ccc(OC[C@H]2COc3cc(Br)ccc3O2)cc1F 1857766230 ZQZCYRNBPNQKNP-AWEZNQCLSA-N 411.223 3.824 0 1 HHAF Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)c(C)o1 5058507 QUVBFYZEKDBNHG-UHFFFAOYSA-N 404.532 3.664 0 3 HHAF O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 104012872 VFWAQOYRNFFDDW-GOEBONIOSA-N 424.810 3.728 0 3 HHAF COC[C@@H]1[C@H](COC)Cc2cc3c(c(OC)c2[C@H]1c1ccc(C)c(OC)c1)OCO3 2356483674 SIDNXAMGLBBNGO-UEXGIBASSA-N 414.498 3.954 0 1 HHAF COC(=O)[C@@]1(Cc2ccc(O)c(C=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1 2356501960 SGIGWFGUUMVHJH-QHCPKHFHSA-N 410.422 3.501 0 1 HHAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC 4207583 LURJCMCGLLCJBG-AZUAARDMSA-N 402.878 3.593 0 1 HHAF c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2[nH]1 101046839 TYCRGJHWMDJLCO-IIDMSEBBSA-N 405.506 3.534 0 1 HHAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](SCCN)C[C@H]1[C@H]2C(=O)OC 2356498448 AICWVYNHUHODST-UMSONDCASA-N 413.587 3.513 0 1 HHAF Fc1ccc(-c2[nH]c(C3CCN(C[C@H]4CNCCN4)CC3)cc2-c2ccncc2)cc1 29125962 QTUQICMZJFNWJE-JOCHJYFZSA-N 419.548 3.624 0 1 HHAF COc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)cc1 20580862 ZJIXEXJFEJIVOB-UHFFFAOYSA-N 418.418 3.909 0 1 HHAF Nc1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c(Br)c1 34804181 KOXCJDZBHOTQQJ-UHFFFAOYSA-N 422.238 3.922 0 1 HHAF COc1cc2ncc(C(N)=O)c(Nc3ccccc3Br)c2cc1OC 40934113 BEGKILNSQXLQLG-UHFFFAOYSA-N 402.248 3.857 0 1 HHAF COc1cccc(C(=O)NCc2cccc(-c3cccc(CN4CCNCC4)c3)c2)c1 40954642 MXVLGCKKMFFFAW-UHFFFAOYSA-N 415.537 3.697 0 1 HHAF C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 44361358 ZAZQQOOBLLITLN-PCCAOGDESA-N 418.618 3.833 0 1 HHAF CC(C)CN(Cc1cnc2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 148821902 MBHHYDCDBKSJGU-QFIPXVFZSA-N 423.557 3.750 0 1 HHAF CN(C)C(=O)[C@H]1CCC[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175012 OSBPLWDVVBUBGM-ROUUACIJSA-N 415.497 3.970 0 1 HHAF CN1C[C@H](c2ccccc2)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 261185120 XEOMUEXWMYJZJS-NHCUHLMSSA-N 411.509 3.843 0 1 HHAF COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccc(O)c1 299883056 QSMLDVGDBLTLRF-YEZOGFKJSA-N 413.470 3.797 0 1 HHAF COc1nc(-c2cc3ccc(SC)cc3[nH]2)[nH]c(=NCCc2ccc(F)cc2)n1 473162720 JNKFQTVDSHSZSO-UHFFFAOYSA-N 409.490 3.966 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587259013 CNXMRSOCNUCNMT-KRWDZBQOSA-N 422.464 3.594 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587111360 BANRSJKOSLKILS-AEFFLSMTSA-N 405.380 3.705 0 1 HHAF Oc1nc2cc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3cc2[nH]1 587018313 YRCWBHXORZSRCF-UHFFFAOYSA-N 405.439 3.630 0 1 HHAF COC(=O)c1cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2cn1 587112708 BWBFJTHIXZDKHJ-UHFFFAOYSA-N 424.404 3.635 0 1 HHAF O=C(Nc1nc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cs1)c1cccs1 587019629 PPPZEHMAKWWMIK-UHFFFAOYSA-N 402.432 3.761 0 1 HHAF O=C(O)C1CN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 587580739 DGYBPQVGJYTFEH-NFBKMPQASA-N 417.417 3.616 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587859397 WNJBMCKEIIHTPP-QXVMEXRDSA-N 423.307 3.663 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587734851 RWSJEGAVIUEFAO-UGZDLDLSSA-N 422.225 3.866 0 1 HHAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748942 BXNBDUAWRFIFCL-WLRWDXFRSA-N 409.299 3.901 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1nn(CC)cc1Cl)CC2=O 587463934 ZXAPXMUAPMCBKI-HXUWFJFHSA-N 406.866 3.638 0 1 HHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccccc1Br 587648504 FZUVKJARDRDTGU-UHFFFAOYSA-N 407.289 3.895 0 1 HHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(I)cc3[nH]1)C2 587246323 GIYJNXIEIAGRKL-SFHVURJKSA-N 419.266 3.519 0 1 HHAF Cn1nc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539618 FTCSTSXDYGEVBC-YJBOKZPZSA-N 401.216 3.591 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccc(NS(C)(=O)=O)c1 962378734 ZKNYKLVGDQDCOP-FQEVSTJZSA-N 401.557 3.606 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@@H]3C)nn2-c2ccccc2)c1 169706971 YIGIQJKRHOFZTA-OXQOHEQNSA-N 402.498 3.812 0 1 HHAF CNS(=O)(=O)c1ccc(OC)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 204186339 DPSQIEMYIJGYQV-UHFFFAOYSA-N 419.894 3.534 0 1 HHAF CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)s2)CC1 204959934 FANIRWMNZIQJJX-UHFFFAOYSA-N 406.573 3.506 0 1 HHAF CN1O[C@](C)(CC(=O)Nc2ccccc2F)N=C1c1cccc(Br)c1 205228751 PUAXPZABXBUMQR-GOSISDBHSA-N 406.255 3.957 0 3 HHAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CCCCO1 205656621 KLPUGHVLKJHZGB-CYBMUJFWSA-N 419.457 3.898 0 1 HHAF COc1cccc([C@@H]2CS(=O)(=O)Oc3c2c(C2CC2)nn3-c2ccccc2F)c1 1857593216 JDYMQNQPWRPNLQ-INIZCTEOSA-N 414.458 3.752 0 1 HHAF CCOC(=O)CSc1nnc(Cn2c(-c3ccco3)nc3ccccc32)s1 1857634093 FALQYBDIMBOBLQ-UHFFFAOYSA-N 400.485 3.851 0 1 HHAF COC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 2523949 JLTUTFREBVBKAG-UHFFFAOYSA-N 404.289 3.962 0 1 HHAF Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)NCc3ccco3)c21 9645132 RRCKJIVCXJGVOS-UHFFFAOYSA-N 424.888 3.675 0 1 HHAF CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)c(OC(F)(F)F)c3)cnc21 13831277 GOFZNOLVGAYGOB-UHFFFAOYSA-N 400.788 3.948 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CSCCCc1ccccc1 13835910 IJYZIFXLOCWYIZ-IBGZPJMESA-N 415.511 3.691 0 1 HHAF C/C(=C\Cc1c(O)cc2c(c1O)COC2=O)CC/C=C(\C)CC[C@H](O)C(C)(C)O 14588322 UGAPAMJJWSEADB-HYLOBTCRSA-N 404.503 3.896 0 1 HHAF CCCCN1CC(=O)N2[C@@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15955878 KEHPXJNYNOBDKA-QPPBQGQZSA-N 401.510 3.961 0 1 HHAF biogenic CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)[C@H](O)C2 27306968 UWYRWJIHAHDDCD-HCLVMJGWSA-N 419.562 3.703 0 1 HHAF O=C(O)Cc1ccc2c(c1)C[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 27325461 NUWQJAVEHKEOCZ-OAHLLOKOSA-N 421.946 3.831 0 1 HHAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2ccccc2s1 28879010 NHABJQWMJCBJAR-UHFFFAOYSA-N 420.538 3.611 0 1 HHAF Cc1ccc2cc(-c3[nH]nc4ccc(NS(=O)(=O)c5ncn(C)c5C)cc34)[nH]c2c1 66075482 SXWKGTHRKXOKPB-UHFFFAOYSA-N 420.498 3.862 0 1 HHAF CC(C)(C)OC(=O)N1CCC(C2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CC1 71342032 DOONTXWGPCQFJL-UHFFFAOYSA-N 422.591 3.954 0 1 HHAF CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 101634781 KPYIQJZAKZINCU-IXYNUQLISA-N 422.572 3.654 0 1 HHAF Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 142907906 XVHYCTRAHRTVIP-OAHLLOKOSA-N 418.526 3.933 0 1 HHAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 169355257 YUIOLTJERQAJEI-UMDHWYPISA-N 414.461 3.505 0 1 HHAF CCCCC(=O)N1CCC[C@@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 201955468 WHBVQJZRIGLEOT-WMZHIEFXSA-N 404.599 3.691 0 1 HHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnc(OCCO)nc2)c1 205944162 VNIBUOBGWASBMV-UHFFFAOYSA-N 419.359 3.666 0 1 HHAF COC1CCC2(CC1)Cc1ccc(OC[C@H]3CC3(F)F)cc1[C@@]21N=C(C)C(N)=N1 210676602 QSYNDUROVMEDHR-SHUGHMQTSA-N 403.473 3.837 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1cccnc1 261162818 RENWHBZDKJUWMV-KRWDZBQOSA-N 411.845 3.751 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC4CCNCC4)n3)c(Cl)cn2)CC1 261167422 SFZGKYVLHXQPIX-KOMQPUFPSA-N 401.942 3.676 0 1 HHAF CCn1c(NC(C)C)nc2c([C@H]3CCN(C(=O)c4ccccc4)C3)csc2c1=O 299863579 LDDQCPUHJNDZLS-INIZCTEOSA-N 410.543 3.928 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 587032475 TXTKFSNYLONZET-FBWGLTFQSA-N 412.544 3.974 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587204251 WWUPHNWXIGYQDD-GFCCVEGCSA-N 409.776 3.937 0 1 HHAF CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 587347819 QHWHZBCIJSKYKX-UGKGYDQZSA-N 411.385 3.970 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 587405989 ZTKPGTNCKJYOOI-DEOSSOPVSA-N 401.418 3.750 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587444098 YCPNKHNWAIAVBL-HJPURHCSSA-N 412.438 3.610 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(OC)c1)CC2=O 587481858 IGAWTRZQRCOFFA-HXPMCKFVSA-N 400.427 3.912 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NCCCC(=O)O)nc1C)CC2=O 587494878 NYLMFSLLFLOSLF-OAQYLSRUSA-N 418.515 4.267 0 1 HHAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N(C)C 587573628 TWJYGUZIDVBNDF-NZQKXSOJSA-N 419.433 3.948 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(-c3ccccc3)nn2)N1 587755556 AUWWJARFCFNCDB-HXPMCKFVSA-N 401.283 3.967 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN2C(=O)COc3ccccc32)N1 587769453 NOGUHOLWJXRVNE-BZNIZROVSA-N 405.267 3.589 0 1 HHAF CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775379 ZQACFGATZPQQBG-WLRWDXFRSA-N 407.283 3.958 0 1 HHAF O=C(O)CCc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O 587945625 NYURTZIYXBSXBG-UHFFFAOYSA-N 409.417 3.502 0 1 HHAF CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NC[C@H]4CCCO4)C3)c(C)o2)cc1 618007261 VORQPFSVWKYVRF-NHCUHLMSSA-N 411.546 3.720 0 1 HHAF C[C@]1(CC(=O)c2cc(F)ccc2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962966507 MLBHEMMRXLOZSI-ORAYPTAESA-N 413.779 3.550 0 1 HHAF COc1ccccc1[C@@]1(CCCC2OCC(C)(C)CO2)c2c(cnn2C)CCN1C 963955572 QLHVCMPDZXVCGM-DEOSSOPVSA-N 413.562 3.730 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3ccccc3)c(OCc3ccccn3)ccc12 1772637484 ZSSSTGOVHKNPQC-UHFFFAOYSA-N 415.449 3.666 0 1 HHAF O=C(C1CC1)N1CCC(c2nsc3cc(N=c4[nH][nH]c5cccnc45)ccc23)CC1 1857607304 QIFRHKLNUQIHEG-UHFFFAOYSA-N 418.526 3.849 0 1 HHAF COc1cc(OC)c(-c2nc3ccc(/C=C4\SC(=O)NC4=O)cc3[nH]2)cc1OC 1857643404 QLRRGHQGKSZZKD-IDUWFGFVSA-N 411.439 3.580 0 1 HHAF C=COc1ccc(CCCO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 2178319980 RWQSTWYZPQDGMX-QGLKVJOYSA-N 420.502 3.555 0 1 HHAF CCCC[C@](C)(OC)[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 2356342763 GGDWDKDPRJFMHD-JQXAWIDASA-N 412.567 3.579 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356823650 GNGSNCPQCZJNBI-SFSAAGPRSA-N 422.606 3.537 0 1 HHAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 2489294 VJFZQYUUDPEAGF-NQIIRXRSSA-N 417.594 3.519 0 1 HHAF CN(C)c1ccc2c(=O)oc(Nc3ccccc3I)nc2c1 13779193 UKRKJNFWVBXDHO-UHFFFAOYSA-N 407.211 3.602 0 1 HHAF O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)cc1)C1CC1 13859904 VFPUTAJBKCVDIW-VXKWHMMOSA-N 404.510 3.647 0 1 HHAF Cc1cc(C(=O)NCCN2CCCC2)c2c(C)nn(-c3cccc(Cl)c3C)c2n1 20579143 HYHNJNGHGUPNNR-UHFFFAOYSA-N 411.937 3.825 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@H]1Oc1ccc(CC(=O)O)cc1 27207761 PSLUVLBKYFIPQQ-QFIPXVFZSA-N 424.497 3.885 0 1 HHAF COc1ccccc1NC(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 27555257 VDLBMOUSZAKCSU-KRWDZBQOSA-N 416.949 3.993 0 1 HHAF COc1cc(-c2nnc([S@@](=O)Cc3ccccc3Cl)o2)cc(OC)c1OC 29123261 VEZVTZRCCCWUGG-HHHXNRCGSA-N 408.863 3.724 0 1 HHAF CCOc1ccc(Nc2ccc(CCNC[C@@H](O)c3ccc(O)c(CO)c3)cc2)cc1 38480125 FYXBZOFYWHUPHB-RUZDIDTESA-N 422.525 3.893 0 1 HHAF Cc1ccc(CN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 40407606 VVYZMLGDDBBOJV-JOCHJYFZSA-N 400.473 3.663 0 1 HHAF COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 71410726 TTZPHUACXGOYEX-UHFFFAOYSA-N 417.849 3.610 0 1 HHAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 72137654 OKTLUHLPRNUIIK-SLFFLAALSA-N 408.527 3.715 0 1 HHAF CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCNC(C)=O 82186778 CHTRGFUSGKVAIS-KRWDZBQOSA-N 408.550 3.911 0 1 HHAF Clc1ccc2c(Nc3cccc([C@H](c4nnn[nH]4)N4CCOCC4)c3)ccnc2c1 96922044 CUJPHRJSHCJQAW-HXUWFJFHSA-N 421.892 3.567 0 1 HHAF COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1OC 586939968 YMHKOQBQIPLNIU-SFHVURJKSA-N 423.922 3.909 0 1 HHAF Cc1nc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2cc1Br 587038162 DCHQFNYTDWJGFZ-UHFFFAOYSA-N 411.285 3.894 0 1 HHAF O=C1CSC[C@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)N1 587044573 ZCLKXPLGMAQYRA-CQSZACIVSA-N 420.416 3.738 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587227195 WKLIHMPYWCVXPE-INIZCTEOSA-N 422.551 3.569 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)cc(Cl)cc21 587374478 YGUYAAMSBSZZJK-KRWDZBQOSA-N 407.651 3.806 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(Br)c(Cl)c21 587378323 UKIPUXTYLVTNCD-KRWDZBQOSA-N 407.651 3.806 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(OC)cc1OC)CC2=O 587485046 YDSCPAXXKBKLBN-QHCPKHFHSA-N 414.454 3.786 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnn[nH]1 587574394 ZJUMIFFTEKOYKO-KNQAVFIVSA-N 403.369 3.555 0 1 HHAF Cc1cc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n2n1 587585508 DZPJLLHOGYYQJB-REWPJTCUSA-N 401.422 3.929 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594109 LBJDDPZXVDGTOM-VBKCYCACSA-N 423.465 3.835 0 1 HHAF COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600018 KASLNCHGZPAEKQ-ZJSXRUAMSA-N 420.417 3.821 0 1 HHAF CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794109 FZWZKANQAMFZOT-NSPYISDASA-N 414.315 3.886 0 1 HHAF CCC[C@H](N1CCCC1)[C@]1(c2ccc3c(c2)OCO3)NCCc2c1c(C(C)C)nn2C 962922935 SHBDOYQRJZRNNE-DHLKQENFSA-N 424.589 3.926 0 1 HHAF COc1ccc2c(c1)cc([C@@H]1NCCc3nc4ccccn4c31)c(=O)n2CC(C)C 962990733 UEZCEFXHRLQVFC-QFIPXVFZSA-N 402.498 3.549 0 1 HHAF O=C(N[C@H]1CCC[C@@H]1Cc1cc(C(F)(F)F)ccn1)c1ccccc1-n1nccn1 1772606049 MDUDGDCORVMJGD-KDOFPFPSSA-N 415.419 3.822 0 1 HHAF COc1cc2c(cc1OC)-c1c(c(=NCCCN(C)C)c3ccccc3n1C)CC2 1772630594 GOLDJEJCDJNSJW-UHFFFAOYSA-N 405.542 3.814 0 1 HHAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccc5[nH]ccc45)c(=O)n1c23 1857588831 RXUFUMDQVWYRJO-GFCCVEGCSA-N 405.429 3.765 0 1 HHAF COc1ccc(/C=C/C(=O)OC/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 1857741879 NTXMBWWZHFVJHV-RXUIJTJXSA-N 414.454 3.999 0 1 HHAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)n1 2356301965 IYBZNZUQTFAROD-YOEHRIQHSA-N 424.398 3.724 0 1 HHAF CC=C(C)C(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](OC(C)=O)[C@@H]3CC[C@@H]4C(C)(C)[C@H]1C[C@@]234 2356760090 WEMIALKTULZOFO-JKIHBNQCSA-N 404.503 3.755 0 1 HHAF CC[C@@H](Oc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)NCCN1CCCCCC1 2923914 XYIILRSSNMNJRN-HXUWFJFHSA-N 402.535 3.580 0 3 HHAF O=C(CSc1nc(O)c2cnn(-c3ccc(F)cc3)c2n1)Nc1ccc(F)cc1 2457632 FHPDQKKJSCGCLI-UHFFFAOYSA-N 413.409 3.530 0 1 HHAF CC[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)C2(OCCCO2)c2ccccc21 3041971 MOMFZIJODJNFIY-KRWDZBQOSA-N 400.862 3.694 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@@H](O)CC)cc1 4054651 AWMZWFIRCWVVKU-DSKINZAPSA-N 416.905 3.718 0 1 HHAF Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1cccc(F)c1 103238198 ATBDTEAYMAGOCW-UHFFFAOYSA-N 424.501 3.963 0 1 HHAF O=S(=O)(NCCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 29560723 YEGWUPOWDGANIN-UHFFFAOYSA-N 415.534 3.540 0 1 HHAF O=c1[nH]c2cc(F)ccc2n1C1CCN(C[C@H]2COc3ccc(Cl)cc3O2)CC1 27897019 LCRDPDAATCDENO-INIZCTEOSA-N 417.868 3.599 0 1 HHAF C[C@H]1CCc2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2CC(=O)O)C1 28121874 PTWZVTYHJNTFCV-ZDUSSCGKSA-N 416.474 3.791 0 1 HHAF COc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc(NC(C)=O)n2)c(OC)c1 66112706 AJOYXFQMIAFTSS-UHFFFAOYSA-N 409.442 3.803 0 1 HHAF C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)c1ccc(F)cc1 68204184 OJEQIOOQKHUSKG-CRAIPNDOSA-N 408.473 3.984 0 1 HHAF CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]21C 2356618746 GCQMZZDJVNUQJV-YAYZYVDKSA-N 408.535 3.998 0 1 HHAF O=C1O[C@@H](CO)CN1c1cc(F)c(C2=CCN(Cc3ccccc3)CC2)c(F)c1 78273399 NSJSZWWHLTXYLL-GOSISDBHSA-N 400.425 3.572 0 1 HHAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nn2)c(F)c1 224825790 RCTMFKWMKBEHRI-UHFFFAOYSA-N 400.479 3.609 0 1 HHAF COc1cccc([C@]2(O)c3ccccc3Oc3cc(C(=O)N4CCOCC4)ccc32)c1 45358063 ANRKLEUZSJDITF-VWLOTQADSA-N 417.461 3.558 0 1 HHAF COc1ccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 221131720 XKMULHOCWAMMBP-XJKSGUPXSA-N 424.461 3.690 0 1 HHAF Cc1ccc(NC(=O)C(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 40401579 SODYRJFAHCKEEJ-UHFFFAOYSA-N 410.580 3.663 0 1 HHAF Nc1ccc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)cn1 147325576 UXKHBSKXYJUFJH-UHFFFAOYSA-N 400.417 3.761 0 1 HHAF COCC(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 142641520 UNMSFJSBPLQPTA-KRWDZBQOSA-N 418.497 3.552 0 1 HHAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc([C@]4(O)CCOC4)ccc3Cl)nnc12 145746378 RIOWALIOYFJZSC-QFIPXVFZSA-N 421.888 3.787 0 1 HHAF Cc1cn(S(=O)(=O)c2cccc(NC3CCN(C)CC3)c2)c2ncc(Cl)cc12 95566032 FNGGHKBGUJAEJV-UHFFFAOYSA-N 418.950 3.741 0 1 HHAF O=S(=O)(c1ccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2F)cc1)C(F)(F)F 254094520 XADIAGJQJVHXBU-IVMMDQJWSA-N 400.397 3.789 0 1 HHAF Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)c3cnn(C)c3)c3ccccc23)c(O)n1 474609317 PIRWUVIJXUTVQX-INIZCTEOSA-N 417.513 3.940 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O 587449406 AGQDPYICYXUACW-LVXYXVKQSA-N 418.474 3.721 0 1 HHAF CCCOc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br 587250822 ZQYYKULCQMQEPN-UHFFFAOYSA-N 404.264 3.985 0 1 HHAF CN(C)/C=C/[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343818 VMJWNIKXSQAFCA-VCZPOSNWSA-N 407.445 3.595 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)/C=C/C(=O)O)cc1)CC2=O 587469062 HHDPLOINDSJRIP-HRBBJJPOSA-N 409.438 3.805 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cccc(Br)c3[nH]2)CCC(O)CC1 587234127 GQTPYRHDEIQCBU-UHFFFAOYSA-N 410.312 3.980 0 1 HHAF CS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559632 YGFACQCLGFNGSM-GHTZIAJQSA-N 414.410 3.638 0 1 HHAF CCCc1c(O)ccc2c1OC1(CC2=O)C2CN(C(C)C)CC1CN(C(C)C)C2 587475420 OEEHXJGMUZDSBO-UHFFFAOYSA-N 400.563 3.729 0 1 HHAF CCOC(=O)CCC[C@@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587521679 DXMCMYANGJIZCT-QHCPKHFHSA-N 402.487 3.956 0 1 HHAF COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587736058 YSZCYALNSZUUNQ-LZVRBXCZSA-N 412.230 3.598 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587760410 YIIJMPKFRHPJLR-GIGQVBGESA-N 424.314 3.588 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(N4CCCC4)nc3F)N12 962645937 SGQNFWKUPIKHAY-GBXCKJPGSA-N 420.488 3.557 0 1 HHAF COc1ccccc1[C@@H]1NC(=O)NC2=C1[C@@]1(CCC2)NCCc2ccc(F)c(C)c21 962381573 YOTHVHXFFIENPP-UPVQGACJSA-N 407.489 3.976 0 1 HHAF CC[C@@H]1CN=C(Nc2ccc([C@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2)S1 962901896 SRHKMAYHMWFWAC-LZNRXBQRSA-N 413.518 3.981 0 1 HHAF CCOC(=O)C[C@]1(CC2CCCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962962970 IBKHPJOMMRWLDZ-QRWLVFNGSA-N 415.864 3.946 0 1 HHAF COc1ccccc1[C@]1(c2ccccc2CN2CCCC2)c2nn(C)cc2CCN1C 963954403 JIOSQIMPWJYIKB-AREMUKBSSA-N 416.569 3.804 0 1 HHAF C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(C)(C)C)c2)n(C2CCOCC2)n1 169707118 AYNKYVUWPLWZPP-BEFAXECRSA-N 424.545 3.520 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cc3)c2)c2cncnc21 169707636 KGWOWTAGHOTAGJ-UHFFFAOYSA-N 417.444 3.959 0 1 HHAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(Br)ccc21 169722168 GMANSIMHEQVNLM-OAHLLOKOSA-N 407.195 3.809 0 1 HHAF O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(Br)cc21 1857619495 PCXKTPCUDYZJQY-UHFFFAOYSA-N 414.263 3.528 0 1 HHAF CCCCc1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12 116962056 IVBABCJRRDPVRI-UHFFFAOYSA-N 408.502 3.724 0 1 HHAF O=C1CN(C(=O)COc2ccccc2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2724701 GBSHFIKSUIHRDA-HSZRJFAPSA-N 408.404 3.914 0 1 HHAF COc1cccc(Cn2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(OC)nc32)c1 4238768 MTILSWSVDLYMPC-UHFFFAOYSA-N 408.845 3.572 0 1 HHAF CCCCOc1c(OC)cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1OC 13863592 KSXSISUEFGBJAG-IBGZPJMESA-N 400.519 3.915 0 1 HHAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4CCN([C@@H]13)[C@@H]2CC(C)=O 38513088 RYRDHHSYITXUAV-LEBCYIFESA-N 424.541 3.612 0 1 HHAF O=C1O[C@@H](COc2ccccn2)CN1c1ccc(N2Cc3cccnc3C2)c(F)c1 40567009 IGAGIYFXZNCENW-QGZVFWFLSA-N 406.417 3.540 0 1 HHAF CN[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@H](O)CNC(C)C)ccc4[C@H]3CC[C@@]21C 58668246 RUQKSSQNZBKNNF-IMKLBKFXSA-N 400.607 3.868 0 1 HHAF O=C(Nc1ccccc1C(=O)N[C@@H](C(=O)O)c1ccccc1)c1cc2ccccc2[nH]1 73223521 DPICGIFVBZZLMH-OAQYLSRUSA-N 413.433 3.976 0 1 HHAF O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCOCc2ccccc2)O1 103146836 NNPOPIWCZIERSZ-DJLXOVMMSA-N 400.515 3.549 0 1 HHAF COc1cc(OC)cc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1 103291340 MCNTVPUKDCPHEL-UHFFFAOYSA-N 407.470 3.630 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 104551701 RJQYILQJIQRYRJ-AXGBLAMUSA-N 416.562 3.866 0 1 HHAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@@H](C)NC4=O)nc2ccccc21 117694497 UJOPJGOMKOBTAA-KGLIPLIRSA-N 401.470 3.956 0 1 HHAF COCc1ccnc(-c2ccnc(Nc3cc(C)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1 144238902 HTNGIQKXIGPNIZ-UHFFFAOYSA-N 416.485 3.920 0 1 HHAF CC(C)N1c2ccccc2[C@H](c2ccc(F)cc2)[C@@H]1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 147229093 CRBHVCVVJPUERN-YJINHJLNSA-N 413.489 3.697 0 1 HHAF N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(Br)cc1F 587144871 QJEUKADPNSNZTA-CYBMUJFWSA-N 403.255 3.592 0 1 HHAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCCCC1 587443922 MWKUABIAJOMIGG-JPYJTQIMSA-N 407.466 3.961 0 1 HHAF CCOC(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590433 YIXIWIVDPZMOOS-NFBKMPQASA-N 405.406 3.598 0 1 HHAF CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587762186 XLGUAQDYQYLNGE-ASNKJTAVSA-N 423.326 3.633 0 1 HHAF CCOC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587774732 XFHIAXJZXMYSQQ-WYRIXSBYSA-N 407.283 3.958 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587848320 HXYVEWWOZWYOCC-BBATYDOGSA-N 412.324 3.789 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(C[C@@H](C3CC3)N(Cc3ccccc3)C2)N1 963229402 KQZFSEMTOAHVOD-GNKBHMEESA-N 413.521 3.714 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1n[nH]c2cccc(Br)c12 963635666 NKEHILZJLLOOGP-YPMLDQLKSA-N 402.292 3.966 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc([C@@]3(O)CCOC3)cc21 1857617733 WEBMCNMKCCZECH-RUZDIDTESA-N 414.505 3.948 0 1 HHAF CCN(N=O)[C@@H](Cc1ccccc1)CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O 13659583 CWSKBQQWTICENS-SFTDATJTSA-N 412.494 3.809 0 3 HHAF COc1cc(-n2c(C)nc3cc(C(=O)N4CCCCC4)ccc32)cc(OC)c1OC 201460940 SYMRQCIMRLYHFM-UHFFFAOYSA-N 409.486 3.986 0 3 HHAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@@H](O)CC)cc1 774073 UONKYPXVPBGNQU-KRWDZBQOSA-N 410.470 3.917 0 1 HHAF CS(=O)(=O)Nc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1 13538162 LIPCBHIBAKMSAU-UHFFFAOYSA-N 407.293 3.954 0 1 HHAF CNCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585130 MKMLZQQZOLCLBZ-UHFFFAOYSA-N 404.710 3.510 0 1 HHAF CCOC(=O)c1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2 34310330 CDEWWHDXOHYWMD-UHFFFAOYSA-N 424.473 3.562 0 1 HHAF NC(=O)c1ccc2[nH]c(-c3ccc([C@H](O)c4cc5c(cc4Cl)OCO5)cc3)nc2c1 38334575 SULMDPWOSBMPJM-FQEVSTJZSA-N 421.840 3.793 0 1 HHAF Cc1cccc2nc(N3CCN([C@H](C(=O)O)c4ccccc4)CC3)c3cccn3c12 40424624 BAZZAIKMNMNZJS-QFIPXVFZSA-N 400.482 3.744 0 1 HHAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](C[S@](=O)CCOC(=O)c2ccccc2)C1 58546756 ZLQIMBGPLMNTJT-FXEKFNFISA-N 419.974 3.981 0 1 HHAF CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ccn1 71318002 PQJDGKYKJGBRBM-UHFFFAOYSA-N 403.486 3.721 0 1 HHAF O=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F 73169266 ZEWGQRPXLQDDLR-UHFFFAOYSA-N 418.375 3.844 0 1 HHAF CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 82072725 ANMCZXOOPSXEFX-HXUWFJFHSA-N 413.518 3.578 0 1 HHAF COCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccco2)n1 82142030 XAHKSXPHQNJEBQ-UHFFFAOYSA-N 420.391 3.744 0 1 HHAF O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 82208482 WHFHIXXCLPXMIZ-JOCHJYFZSA-N 424.504 3.685 0 1 HHAF CN(C(=O)Cn1c(=O)n2c3c(cc(Nc4cccnc4)cc31)CCC2)c1ccccc1 95591606 TWQPBEWSJLUDJM-UHFFFAOYSA-N 413.481 3.551 0 1 HHAF CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 96272235 GSPOJTXAPGNOFQ-XXBNENTESA-N 420.981 3.727 0 1 HHAF Nc1cc(O)ccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 96273685 LOHHXXUJDXQQPM-UHFFFAOYSA-N 412.453 3.691 0 1 HHAF CCC(CC)NC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1 96273906 UAFIMXQKJCCTPL-UHFFFAOYSA-N 405.506 3.736 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(OCCN(C)C)cc1 96932201 AKKATVMDHBEASX-VWNXMTODSA-N 407.514 3.506 0 1 HHAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2cc(C)ccc2O)nn1C 103175538 FWWHPNKTQIFBEK-XMHGGMMESA-N 408.454 3.840 0 1 HHAF Nc1cc(-c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)ccn1 147065413 VCWYGZSNHAMWHL-UHFFFAOYSA-N 418.407 3.901 0 1 HHAF O=C(O)CC/C=C\[C@@H](O)[C@H](O)CCCCCC=C(Br)Br 198355760 ZFXQBFPZXYPLPE-OBBGCOQJSA-N 414.134 3.711 0 1 HHAF Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220220625 PXGREUPWZAUELV-LJQANCHMSA-N 408.889 3.937 0 1 HHAF CCCCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847669 MDELNINZIPQAOZ-IAGOWNOFSA-N 405.930 3.540 0 1 HHAF CN(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929200 RJUMVKHOMQMYKR-UHFFFAOYSA-N 406.241 3.969 0 1 HHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 586951791 ZRZUREUQTPAQKA-UHFFFAOYSA-N 414.512 3.945 0 1 HHAF CC(C)Oc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br 586966257 CSJUOTHCTUAZKS-UHFFFAOYSA-N 411.281 3.606 0 1 HHAF CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 586984505 GIIMRUSZPFFQQD-AWEZNQCLSA-N 416.275 3.517 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587041047 UQRNIFQRQZQOJB-IBGZPJMESA-N 422.510 3.734 0 1 HHAF O=C1CSc2ccc(-c3nc4cccc(I)c4[nH]3)cc2N1 587044349 UBDRURJSTQGUTM-UHFFFAOYSA-N 407.236 3.879 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(N)c(N)cc3[nH]2)c1 587048676 KZDJPBYMIQXLDY-VOTSOKGWSA-N 412.881 3.771 0 1 HHAF Fc1cc(CCc2nc3cc(I)cnc3[nH]2)cc(F)c1F 587138305 GRVIJZBJKOYBQG-UHFFFAOYSA-N 403.145 3.765 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cc(Br)cn2)N1 587682932 MLDRESZTEMTIDY-BJOHPYRUSA-N 417.120 3.997 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 587719596 LHTHVLAOQWNISV-INWYIAFRSA-N 408.193 3.670 0 1 HHAF CCn1nccc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587762411 YJJHKBKNIKIVAX-XRJHSEENSA-N 407.331 3.658 0 1 HHAF CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2F)CC1 653795345 HTXCEVIRYDTYBS-UHFFFAOYSA-N 420.550 3.771 0 1 HHAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(CCc3cc4c(cc32)OCC4)N1 962697076 KVIWNCWOSUOZLV-FXAWDEMLSA-N 407.363 3.568 0 1 HHAF CCOC(=O)COc1ccc2ccccc2c1[C@H]1NCCc2c(C(=O)O)cccc21 963124422 QOEKVQVVABIOEM-QHCPKHFHSA-N 405.450 3.715 0 1 HHAF Cc1c(O)ccc2c1[C@@]1(CCCCC[C@H]1CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963557951 YTSLNKSPVOEPML-QQMNAOGKSA-N 418.534 3.600 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3)cc1C(C)=O)C2 1772590715 RCDHLIBZXYWMNZ-NRFANRHFSA-N 416.497 3.840 0 1 HHAF O=S1(=O)C[C@H](c2cccc(F)c2)c2c(C3CC3)nn(-c3ccccc3F)c2O1 1857616163 KUKOXQJBXQDWQJ-OAHLLOKOSA-N 402.422 3.882 0 1 HHAF c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 1857628979 YPLCBNLGVGQEFT-ZPZUNKDASA-N 404.602 3.865 0 1 HHAF C[C@@H](N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=NC(C2CC2)C2CC2)[nH]1)C1CC1 1857652442 IEWNKIUGPADRRO-LLVKDONJSA-N 418.467 3.607 0 1 HHAF CCOC(=O)c1cn(Cc2cn(-c3ccc(C)cc3)nn2)c2ccc(Cl)cc2c1=O 1911584788 PTVMTROKLDUIDE-UHFFFAOYSA-N 422.872 3.769 0 1 HHAF CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2cc(OC)cc(OC)c2)[nH]n1 61896860 DXOVNXIQDYUJCF-UHFFFAOYSA-N 413.449 3.952 0 3 HHAF CCN(CC)CCSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1 104313819 WBFIBRDLZYOOJJ-UHFFFAOYSA-N 409.555 3.963 0 3 HHAF COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(N(C)C)cc2)cc1 587692 ONPZKBPZVGVBNK-UHFFFAOYSA-N 405.454 3.971 0 1 HHAF Cn1c(O)c(C(=O)C[C@@H](Nc2ccccc2N)c2ccco2)c(=O)c2ccccc21 3846474 LKFOSUWCQQJZHR-QGZVFWFLSA-N 403.438 3.846 0 1 HHAF biogenic O=c1c(-c2ccc(F)cc2)nc2cnc(Nc3ccccc3)nc2n1C[C@H]1CCCO1 4239116 ZZJIMAZTJXHVLX-GOSISDBHSA-N 417.444 3.915 0 1 HHAF CC(=O)N1CCc2ccccc2[C@H]1c1c(O)nc(=S)n(Cc2ccccc2)c1O 8856692 GQBXFOYCEOKDFU-IBGZPJMESA-N 407.495 3.566 0 1 HHAF biogenic CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCCCCc1ccccc1 27109791 PSFODSSIZIMHPC-FQEVSTJZSA-N 400.563 3.902 0 1 HHAF CCCCC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27321385 DWIOMDPVTBMXDB-ZFWWWQNUSA-N 407.511 3.619 0 1 HHAF COc1ccc(N2C[C@@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)cc1 29408294 WCDUODNINIBKMY-HXUWFJFHSA-N 416.905 3.657 0 1 HHAF C[C@@H]1CN(CCCc2ccncc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 40899527 COUWYGSTDBDLQS-LJQANCHMSA-N 415.603 3.707 0 1 HHAF NC(=O)Nc1sc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)N[C@H]1CCCNC1 84708802 LDNBXCSYCDEWSM-JTQLQIEISA-N 413.330 3.694 0 1 HHAF CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 103231433 NDHVOPDKZALZCQ-QYEXWFEISA-N 412.599 3.785 0 1 HHAF Cc1nn(CC(F)(F)CO)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 200980873 YPCPZZOTKIPGMW-UHFFFAOYSA-N 417.387 3.623 0 1 HHAF in-vitro COc1ccccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ncns3)ccc12 215516170 AHBCOCUKPIGCNM-UHFFFAOYSA-N 416.459 3.702 0 1 HHAF COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 257558017 USYOOQFISINJLZ-ADCLFILHSA-N 406.519 3.959 0 1 HHAF endogenous,in-man CCCCCCSC(=S)N1CCN(C(=S)NC(=O)c2ccccc2)CC1 299864055 LTFVCFJBOOMYIC-UHFFFAOYSA-N 409.646 3.917 0 1 HHAF O=C(O)CCN(CCc1nc2ccc(Br)c(O)c2[nH]1)Cc1ccccc1 587193307 GWUIBTNBFYVWAA-UHFFFAOYSA-N 418.291 3.550 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(Br)cc(OC)cc1OC)[C@@H](C2)C3=O 587413720 PLFNNQHWOSCRRR-HXPMCKFVSA-N 405.244 3.964 0 1 HHAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587606059 GHRKZJSUFYVNRM-APWZRJJASA-N 402.449 3.560 0 1 HHAF Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587613235 NIYAXISUZRUSOE-YLJYHZDGSA-N 421.434 3.968 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N)c(Br)c2)N1 587684237 YWLWGGIMKLPPDN-JKYUHCHBSA-N 415.104 3.952 0 1 HHAF CCn1cc(Br)c([C@]2(C)NCCc3cc4cccc(OC)c4nc32)n1 963063055 YZGHOBYOMNLARE-LJQANCHMSA-N 401.308 3.632 0 1 HHAF CC(=O)Oc1cccc([C@]2(c3cccnc3Cl)NCCc3c(C(=O)O)cccc32)c1 963120240 FOFFIGRHYAALTR-QHCPKHFHSA-N 422.868 3.796 0 1 HHAF COc1ccc(C(=O)[C@@H](F)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772589603 ZOVQGYYIWZWHNI-CTNGQTDRSA-N 423.506 3.675 0 1 HHAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@H]2CC(C)=O)[C@@H]13 1911574862 BNWCAXPQWZXTPP-XOOFPSFYSA-N 424.541 3.612 0 1 HHAF CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(C)C[C@@H](c3ccccc3)N(C)CCN12 2356834595 KCWUHYUAIRAHNB-URXFXBBRSA-N 406.530 3.787 0 1 HHAF FC(F)(F)c1nc(NC[C@@H]2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1 4966745 TZGHUOCGUVJSSJ-NSHDSACASA-N 412.803 3.533 0 3 HHAF CCNC(=O)[C@H](C)/C=C/[C@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)OC)cc1 7992692 ZJOBRWSWAPAQAF-FAWVJHODSA-N 424.497 3.769 0 1 HHAF COc1ccc(-c2c([C@@H]3OC(=O)[C@@H](C)[C@@H]3C)cc3c(c2OC)OCO3)cc1OC 15210963 VWNZODRHLJRMBA-SYTFOFBDSA-N 400.427 3.978 0 1 HHAF biogenic COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@@H](C)[C@H](C)C2 15270604 MRKYWHWCKKOXEB-LIBAHTEVSA-N 404.459 3.661 0 1 HHAF biogenic CCN(CC)C[C@@H]1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)C[C@@H]1C 19365421 JFHMBOHEIJCTAZ-WMZOPIPTSA-N 420.985 3.600 0 1 HHAF O=C(Cc1cccnc1)N1CCN([C@@H](c2ccncc2)c2ccc(Cl)cc2)CC1 27990072 WBHCHABRJFCMCG-HSZRJFAPSA-N 406.917 3.606 0 1 HHAF CN(C)[C@@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40408707 ZNSVNVVHCFLBIT-HNNXBMFYSA-N 419.356 3.967 0 1 HHAF Cc1ccccc1-c1nnc2ccc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cn12 82082828 HMYGKSZQHPTHCD-UHFFFAOYSA-N 411.509 3.759 0 1 HHAF CCCSc1nc(N2CCC[C@@H](C(=O)O)C2)ccc1C(=O)NC1CCCCC1 95579474 MFQPYWLVPWCPPR-OAHLLOKOSA-N 405.564 3.947 0 1 HHAF CCCC(=O)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1 95601533 KWWYOIOTRAVAHK-UHFFFAOYSA-N 423.541 3.704 0 1 HHAF in-vitro CC[C@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 141932029 QBUCDVXYGKJTON-BEFAXECRSA-N 407.470 3.608 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1c(C)noc1C 203894394 GGIMWYMCVTVDNF-KRWDZBQOSA-N 409.442 3.616 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 261133269 LOOOARQIFZVUEX-RNCGHPTOSA-N 403.903 3.762 0 1 HHAF COc1ccc(OC)c([C@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccccc23)c1 299831257 NXXZHOBQSZRWLU-NRFANRHFSA-N 407.422 3.516 0 1 HHAF N[C@@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCOC1 587248074 BVJSBPJZBAGVMM-SFHVURJKSA-N 408.355 3.547 0 1 HHAF COc1cncc(N)c1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 587253024 YBEZDOFULGVSHF-UHFFFAOYSA-N 403.158 3.877 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnn2)N1 587759656 LTCHBGRNFRGOKM-BUXKBTBVSA-N 401.283 3.967 0 1 HHAF Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1 653692822 OSDJPHUOZIHOIN-UHFFFAOYSA-N 415.236 3.780 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccco2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722146 ZAQPUFURNREQTG-QRQCRPRQSA-N 417.502 3.814 0 1 HHAF CC(=O)Oc1ccc([C@]2(c3ccccc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963025366 JXCKSSUQYWWUBV-DWXRJYCRSA-N 412.489 3.957 0 1 HHAF CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)c2nn(C)cc2CCN1C 963955728 RZKPXGOMBZMYBI-VWLOTQADSA-N 419.525 3.684 0 1 HHAF COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccco2)C4)c1 1772629205 VIKTUWSXLKJYEX-MRXNPFEDSA-N 421.522 3.755 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2F)[C@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356397759 IHLPJISMQJUWHE-SJBKTWHCSA-N 417.550 3.655 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1C(=O)O2)C=CC(C)(C)O4 2356724898 COZQSMYTHMTDIR-NQIIRXRSSA-N 408.406 3.535 0 1 HHAF O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCCn1cccn1 12718707 XNFFVLNTOMNBJX-UHFFFAOYSA-N 413.909 3.529 0 3 HHAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)on1 61907361 PSZXHDHGNAFUNJ-INIZCTEOSA-N 417.512 3.904 0 3 HHAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)cc(-c2cccc(Cl)c2)c1 13807606 JSTUSGOKEJOLIJ-GOSISDBHSA-N 410.861 3.632 0 1 HHAF CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)CC1 21531626 JQISHMWOOBTNBH-UHFFFAOYSA-N 409.461 3.992 0 1 HHAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@@H]3C[C@H]2CN3)ccc1Cl 28825947 FKPPLJXVWARJKB-XQIWWWIASA-N 413.993 3.832 0 1 HHAF CCCC[C@](C)(OC)[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 29544853 GGDWDKDPRJFMHD-MSRLXJADSA-N 412.567 3.579 0 1 HHAF O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 35593967 ZFFALQXUAIZYIT-HNNXBMFYSA-N 410.499 3.648 0 1 HHAF COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3ccccc3o2)CC1 66155285 WLEGJZRUEMBXDO-VOTSOKGWSA-N 405.498 3.550 0 1 HHAF CC(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O 82184546 KEIWXJRWXZIPLK-UHFFFAOYSA-N 424.524 3.789 0 1 HHAF CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 95576409 RXXLADDTCRLFRA-FQEVSTJZSA-N 414.933 3.749 0 1 HHAF OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 95874609 OCNSDTKZVINVFB-KKUQBAQOSA-N 414.553 3.568 0 1 HHAF CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cn2)CC1 96273159 OOMVKCICFUSIFP-UHFFFAOYSA-N 401.514 3.926 0 1 HHAF O=C(c1ccc(F)cc1)c1cc(F)ccc1/C=C/OCCN1CCC[C@@H](C(=O)O)C1 96923966 VFZCBBPPTMMMLW-ZPHJMFTNSA-N 415.436 3.980 0 1 HHAF CCCN(CCC)CCCCNC(=O)c1ccc([125I])cc1 102895302 FFLYQVYUAVHRTO-HGTLKWEASA-N 400.321 3.923 0 1 HHAF COC(=O)CSc1nc2cc(N3C(=O)c4ccccc4C3=O)c(F)cc2s1 103214147 TUBDIKRXQOPHJT-UHFFFAOYSA-N 402.428 3.501 0 1 HHAF CO[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697211 LSKZCQKQGRUHKQ-GGPKGHCWSA-N 416.562 3.695 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(C/C=C/c2ccccc2)CC[C@]314 195189268 SVFOKPBWCQSVPM-CAIQHTFCSA-N 401.506 3.673 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(OC[C@@H]3Cc4ccccc4[C@H]3C=C2C)c2ccccc21 198017470 MTYSPTUPQCBBJA-JVFUWBCBSA-N 403.478 3.724 0 1 HHAF COCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1 204167370 RYNCXRBJRSKWJE-UHFFFAOYSA-N 419.485 3.832 0 1 HHAF C[C@@H]1Cc2c(nnn2-c2ccccn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225997906 SISYDQNAILIMSB-LLVKDONJSA-N 421.810 3.922 0 1 HHAF CC(C)[C@H]1[C@H](OC(=O)/C=C/c2ccccc2)[C@H]2O[C@@]2(C)CC[C@H]2O[C@@]2(C)C[C@H]1O 238743960 AHJXLLFPEKDJDF-NYJRWHKTSA-N 400.515 3.744 0 1 HHAF CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](CC(C)=CC[C@@H](O)[C@]4(C)OC[C@@H]2C)[C@@H]31 255196934 ASYFQGFROIAMPM-UMRWQTOVSA-N 406.563 3.880 0 1 HHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@H]2c1ccc(Br)cc1 299872463 AAROUFDRHLFPRV-OFIKQIQMSA-N 405.336 3.720 0 1 HHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586918118 WLTCXTUYPLACNQ-BXKMTCNYSA-N 416.481 3.535 0 1 HHAF Cc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1C 586941265 ITIYTMKGVLRTDJ-UHFFFAOYSA-N 408.527 3.877 0 1 HHAF O=c1c(-c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)cn1Cc1ccccc1 587006343 LBMIISMJYWAJKW-UHFFFAOYSA-N 424.254 3.931 0 1 HHAF Cc1nc(Br)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587012565 ZFMIQEBDZOGQIA-UHFFFAOYSA-N 417.292 3.817 0 1 HHAF COC(=O)c1cc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cn1 587147476 QAUIIFYXNGWEJP-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF CCS(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587225074 VKPGTIMNAAFYHB-NRFANRHFSA-N 419.506 3.876 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1Br)[C@@H](C2)C3=O 587413027 LVCNFNAQLFVFLW-RNODOKPDSA-N 416.271 3.993 0 1 HHAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1sc(-c4ccc(C)n4C)nc1C)[C@@H](C2)C3=O 587452113 QKMGHCRYRVQHKB-FPTDNZKUSA-N 424.478 3.502 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587719229 PJIKHUTXDWYKRF-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587762193 XLGUAQDYQYLNGE-UFAGZECESA-N 423.326 3.633 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789757 COXDUPPLYMDHSY-RRUGBERISA-N 402.304 3.553 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@@H](c3ccccc3)C2)N1 587789875 BTMZMIFQZFPJNE-CBLJQSSYSA-N 403.295 3.969 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)([C@H]2CCCNC2)N1 587790352 CGFQRYUBSZWYKR-AFBRZQFHSA-N 404.327 3.761 0 1 HHAF COc1ccc([C@]2(OCC(F)(F)F)Sc3ccccc3-n3c2noc3=O)cc1 653903299 AWBSGIHJNCVFLA-SFHVURJKSA-N 410.373 3.720 0 1 HHAF COc1ccc(-c2cnc3n[nH]c(-c4cc(OC)c(OC)c(OC)c4)c3c2)c(N)c1 1857536107 MVYWYPPVHVMXHN-UHFFFAOYSA-N 406.442 3.909 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(F)cc(C(=O)NC)cc21 1857609921 DRUUMYGUXDADFM-UHFFFAOYSA-N 403.457 3.839 0 1 HHAF Cc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cn23)cc1 1857755008 AJSPQFHUVJMVLQ-UHFFFAOYSA-N 411.509 3.759 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356290680 YXMODWRGEWQFAS-QKNQBKEWSA-N 400.567 3.650 0 1 HHAF CO[C@@H]1OC(=O)C=C1[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356348920 LBQAJSQYOAWBOD-ZQPQZLPPSA-N 404.547 3.577 0 1 HHAF CC(=CCC[C@@](C)(O)CCCC1=CC(=O)N(CC(=O)O)C1)CCC[C@H](C)CC(=O)O 2356786749 BALURIUIBGAQQW-FDDCHVKYSA-N 423.550 3.769 0 1 HHAF CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CC2CCC(C(C)(C)C)CC2)CC1 61936099 SYCVEXMNKZUTFI-VTLFHKLASA-N 419.654 3.924 0 3 HHAF N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1 26653598 IVFAJJALDLLBIV-UHFFFAOYSA-N 405.546 3.657 0 1 HHAF c1nc2c(N[C@H]3C[C@H]4CC[C@@H]3C4)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 28463439 TYCRGJHWMDJLCO-DAYGRLMNSA-N 405.506 3.534 0 1 HHAF CCN(CC)C(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 36331937 JJCISVQVDBOJBQ-RXVVDRJESA-N 408.527 3.933 0 1 HHAF Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)cc1C 36634149 XFJAVSRGKPKJRU-UHFFFAOYSA-N 419.510 3.948 0 1 HHAF CC[C@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82143951 OAOUXGCESAIYAI-ZDUSSCGKSA-N 414.506 3.520 0 1 HHAF Fc1cccc(CCNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)c1 82179728 BRLJTCHVKOUWLQ-UHFFFAOYSA-N 408.525 3.983 0 1 HHAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@H](C(=O)N(C)C)C3)cc12 114765098 JFNCIPNVTAPVEE-LSDHHAIUSA-N 402.564 3.898 0 1 HHAF C[C@]12CC[C@@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCSCC1 169714104 QLGRLIPMYCDDEH-XNPXOOOUSA-N 402.604 3.834 0 1 HHAF FC(F)(F)c1cccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)c1Cl 225932696 IWXQPCTUWUKXSM-UHFFFAOYSA-N 405.771 3.846 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OCC4CCC4)cn3)C2)cc1 261145021 NRRSIXRRJRJDBT-HRAATJIYSA-N 410.518 3.510 0 1 HHAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3CCOC3)[nH]c2c1 586911303 GORMOPSFUAHNOL-LLVKDONJSA-N 411.405 3.886 0 1 HHAF Cc1cnc(Cl)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 586943507 ZCYXCEJOOXSXKF-UHFFFAOYSA-N 419.721 3.748 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)c(C)c3[nH]2)CC1 586953610 VRLJBPVUPXAYSV-UHFFFAOYSA-N 400.342 3.553 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587068815 FFMVEPBTVOZVRE-HNNXBMFYSA-N 420.966 3.580 0 1 HHAF Cc1nccc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 587107986 FWNDKUPTEUUEGP-CQSZACIVSA-N 410.421 3.811 0 1 HHAF Nc1c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cnc2c(F)cccc12 587175844 BJLCVIUCKPBXHO-UHFFFAOYSA-N 401.195 3.960 0 1 HHAF CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437828 KCDBKGOYDYXOTD-MZNJEOGPSA-N 404.466 3.688 0 1 HHAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C 587486845 MNMOUSPUMPBMJJ-VGVWNIBESA-N 417.502 3.847 0 1 HHAF C[C@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549408 WSPLXXZZKKDZOJ-BEFAXECRSA-N 413.227 3.822 0 1 HHAF CN1C(=O)C[C@H]2CN[C@@H](c3cccc(F)c3I)c3cccc1c32 963033904 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3 HHAF Cc1ccc2nc(C[C@@H]3CN(C(=O)NC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302689 OYUCNLVTQIPSRD-IAGOWNOFSA-N 412.534 3.869 0 1 HHAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC(C)(C)O2 2488846 RSXQVWYQOBMIHZ-NRFANRHFSA-N 412.530 3.854 0 1 HHAF O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1)NC1CCCC1 2908914 ZYDTWNLMQQMEQR-UHFFFAOYSA-N 403.504 3.737 0 1 HHAF CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@@H]1C5 100880144 GTZZJXACLAMRNF-PCWWUVHHSA-N 416.521 3.963 0 1 HHAF COCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCCNC5)c4n3)cnc2c1 103240614 TXAFYFWHBVJGHQ-IBGZPJMESA-N 418.497 3.706 0 1 HHAF COc1cccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1 28823836 OJFKBWJKRGJBRX-BEFAXECRSA-N 400.404 3.501 0 1 HHAF Nc1cccc(-c2nc3c(N4C[C@@H]5[C@H](CCN5Cc5ccccc5)C4)ncnc3o2)c1 28113599 OCNIDFGKJBFLQG-UYAOXDASSA-N 412.497 3.578 0 1 HHAF O=C(NCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 26384021 OPEGJTACJSVUFB-UHFFFAOYSA-N 415.361 3.618 0 1 HHAF COCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)C1 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COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCCC3)c2n1 224085950 XPELYRINMWSZIB-UHFFFAOYSA-N 401.474 3.778 0 1 HHAF CN1CCC[C@H]1CCn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 82186150 CMAUQXATLNJTSJ-FQEVSTJZSA-N 404.562 3.918 0 1 HHAF C[C@H]1CC(=O)N[C@H](c2ccccc2)C/C=C\C[C@@H](c2ccc3c(c2)OCO3)NC1=O 95661844 NTDYEOQLFHPYHB-ZQPXHLQISA-N 406.482 3.806 0 1 HHAF CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@@H]1C(=O)OCC 299830987 ZPPSARSJZRFVTH-NRFANRHFSA-N 422.481 3.511 0 1 HHAF COc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587834677 MHZIILQYYDNKJD-DGIBIBHMSA-N 408.267 3.992 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 587772699 GDVWHQVUXVGTAS-PRWKNARSSA-N 412.262 3.613 0 1 HHAF Clc1ncc(I)c2nc(CCOCc3ccccc3)[nH]c12 587565444 AOUCULKFQVRLMZ-UHFFFAOYSA-N 413.646 3.975 0 1 HHAF COc1nc(N(C)C)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587852098 KLCDNZGZMRPVRE-AMIZOPFISA-N 400.317 3.743 0 1 HHAF CCS(=O)(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 587950041 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HHAF CCC[C@@H](C)C[C@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963705978 SSKXYETWOQXXFK-FGSBKAERSA-N 424.541 3.668 0 1 HHAF Cc1nc([C@@H](CN(C)C)NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)sc1CO 1772640591 MJDFFUXNKSQOJV-QGZVFWFLSA-N 418.950 3.625 0 1 HHAF Cc1ccc2c(c1)sc1nc(C(=O)NCc3cn(Cc4ccc(F)cc4)nn3)cn12 1772587917 CYKQFZZURSNTOJ-UHFFFAOYSA-N 420.473 3.566 0 1 HHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)c2cccc(Cl)c2)[C@@H]1O 5963947 YRPMCYJIXPHPFF-OALUTQOASA-N 400.814 3.876 0 1 HHAF O=C(O)/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13861823 DZDCQTBAAQYSND-VOTSOKGWSA-N 413.231 3.715 0 1 HHAF CCc1ncc([C@@H](CNC(=O)c2ccccc2Cl)N2CCC(F)(F)CC2)cn1 207685517 HYESXFVAJGNDNM-QGZVFWFLSA-N 408.880 3.895 0 1 HHAF O=C(Nc1ccccc1Cl)N1CCN(c2nccc(=NCc3ccccc3)[nH]2)CC1 1857749974 ZUUPDGLWEFKBBK-UHFFFAOYSA-N 422.920 3.518 0 1 HHAF CN(C)CCCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21 28381399 MSNOCQJQPHZTLQ-UHFFFAOYSA-N 416.525 3.853 0 1 HHAF CCN(C(=O)c1c(O)c2c(Br)cccc2n(C)c1=O)c1ccccc1 3981548 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Fc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)cc1 96928456 SXCANJNHFZQFPA-UHFFFAOYSA-N 407.428 3.701 0 1 HHAF O=C(Nc1ccc(C2=CCN(C[C@H]3CCOC3)CC2)cc1)N1Cc2ccncc2C1 168031018 AGJKNOBCIAQRMU-GOSISDBHSA-N 404.514 3.755 0 1 HHAF COc1ccc(C[C@@H](N)CCCC[C@@H](N)Cc2ccc(OC)c(OC)c2)cc1OC 169325304 ZWEFGEBBKBNPER-BGYRXZFFSA-N 416.562 3.721 0 1 HHAF OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C/c3ccccc3)c2n1 208790868 LAOYAWHHLUVMFT-NTCAYCPXSA-N 400.486 3.513 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4nc(C[S@](=O)CC5CC5)[nH]c4c3)o2)cc1 586960168 UJRJZAGADHHTTF-GDLZYMKVSA-N 408.483 3.947 0 1 HHAF CCS(=O)(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587029435 OQCWKLHPFBTOAI-UHFFFAOYSA-N 414.512 3.506 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2c1 587149446 GKMRJHJFWCTTMV-AWEZNQCLSA-N 410.218 3.828 0 1 HHAF C[C@@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332372 DLJNLAJQSZYUKI-GMAHTHKFSA-N 409.413 3.948 0 1 HHAF COc1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346035 ARCPPMNGNDMYIP-OFNKIYASSA-N 408.381 3.879 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(I)c1)[C@@H](C2)C3=O 587426622 DODMQCBFBDFZTN-SGTLLEGYSA-N 422.218 3.668 0 1 HHAF COC(=O)CC[C@@]1(c2ccccc2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 587744518 BYFFHFYVFIQSGI-YUNKPMOVSA-N 421.310 3.901 0 1 HHAF COC(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807280 KSOLFQNUIOWPII-MPBGBICISA-N 422.294 3.938 0 1 HHAF COc1ccc([C@@]2(COC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587807684 LJOHFSQECWHRJD-FKIZINRSSA-N 422.294 3.938 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1ccc(N3C[C@H](C)O[C@@H](C)C3)o1)N(C)[C@@H](C)C2 962635826 UVRJKQMRCNTWPF-WMUXEFRJSA-N 400.519 3.876 0 1 HHAF C[C@H](CCCCC(=O)O)[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705287 VQSGMEXRPZAYKE-XODWSEBVSA-N 405.388 3.940 0 1 HHAF CN1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1 1772619216 KHMCBUOHWOTOQE-UHFFFAOYSA-N 416.403 3.829 0 1 HHAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)N=c3cc[nH]cc3)cc2NC(=N)C1 1772625722 LBFBTDVFRHANBT-UHFFFAOYSA-N 405.502 3.581 0 1 HHAF CCCCC[C@@H](O)C[C@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O 2356352136 NSTQDXIOQMRTQA-CTNGQTDRSA-N 407.551 3.719 0 1 HHAF COc1cc2c(cc1OC)[C@]1(OC)C(=O)c3ccc4c(c3O[C@H]1CO2)C=CC(C)(C)O4 2356497843 ASZODYHAJFTQPK-GBXCKJPGSA-N 424.449 3.766 0 1 HHAF C[C@@H]1[C@H](O)O[C@]2(C)[C@H](C)C(=O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2356537424 SGAGBYUEVHJQBY-JSGINYDRSA-N 400.471 3.537 0 1 HHAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@]2(C)c3cc4occc4c(C)c3CC[C@]2(O)C1(C)C 2356571297 NSAZUFNXZWNEIG-KOVSNXQUSA-N 414.498 3.970 0 1 HHAF COC(=O)[C@H]1CC2=C(CN1Cc1cccs1)N(Cc1ccc(Cl)cc1)[CH]N2 2356855622 DVMMDNIFCZJQGO-GOSISDBHSA-N 402.927 3.585 0 1 HHAF C[C@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61902524 WDZVDVWNJZVVRD-HSZRJFAPSA-N 424.403 3.766 0 3 HHAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2CS3)cc1 3814509 FOTJKGZGHZQSLX-UHFFFAOYSA-N 411.430 3.811 0 1 HHAF CCNc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238666 GHBOLMRJGCQBMS-UHFFFAOYSA-N 403.461 3.591 0 1 HHAF CC(=O)O[C@@H]1CC[C@](C)(OC(C)=O)[C@H]2O[C@@H](C[C@]1(C)O)[C@@H]1C(C)=CC[C@H](C(C)C)[C@H]12 2356406564 ZPPYQLRSVSXFFE-QMSKINLHSA-N 422.562 3.797 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(Cn3ccnc3)c2)cc1 117344361 DKKFHESRKGMDQD-UHFFFAOYSA-N 421.526 3.750 0 1 HHAF CC(=O)O[C@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 29470310 MAGYBABEPXGSNC-FZQCLQRZSA-N 424.837 3.760 0 1 HHAF CS(=O)(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 27521769 KHLLEQMTZRUCKB-IAGOWNOFSA-N 402.299 3.731 0 1 HHAF CCN1CCN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 20286812 BABGDNDVMSPQPZ-UHFFFAOYSA-N 414.981 3.524 0 3 HHAF COc1ccc(CCCN2C=CC=C3C2=Nc2ccccc2N(C)S3(=O)=O)cc1 28638106 JYNPSXZZCOPIMV-UHFFFAOYSA-N 409.511 3.851 0 1 HHAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@H](C)[C@H](O)CC(=O)O)C(=O)OC2 2356852579 QRDKDYUDGPKLKF-SUMWQHHRSA-N 406.475 3.510 0 1 HHAF COc1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@H]4CNCc3ccco3)n(C)n2)cc1 2356855073 QYYTXJASCJUEIA-CNNODRBYSA-N 406.530 3.656 0 1 HHAF NCCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 40567043 PWMUHXCLKDRXRW-MRXNPFEDSA-N 419.369 3.630 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](C(=O)[C@H](OC(C)=O)[C@@H]3C(C)C)[C@H]3OCC1=C32 137637491 WMVJIPZZKUYCOU-DREMNZCRSA-N 418.530 3.617 0 1 HHAF O=S(=O)(N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1cccc(F)c1 45338345 HAEAMTDLOHGSPB-HNNXBMFYSA-N 405.882 3.585 0 1 HHAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(C)(C)C(N)=O)cc2)S1)c1ccc(F)cc1 40981011 UVZADTRPDLJMNV-XMHCIUCPSA-N 413.518 3.784 0 1 HHAF CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073310 SPBWIVRTTWNUAA-GOSISDBHSA-N 402.516 3.775 0 1 HHAF Cc1ccc(C2=NN[C@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 195357088 GJXRCQUWMGJZHI-XFJVYGCCSA-N 400.326 3.906 0 1 HHAF CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)n1 96927346 NMBGIAJFOLFEJN-UHFFFAOYSA-N 417.498 3.563 0 1 HHAF O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95796518 OHRZRQPSTZYOKV-XZOQPEGZSA-N 411.590 3.734 0 1 HHAF CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(F)cc1F 261155849 PXLJQXYHONWMKB-LJQANCHMSA-N 422.439 3.899 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCCC(F)(F)C2)cc1F 261180475 VYQJAWHQBOKZCO-LLVKDONJSA-N 405.438 3.597 0 1 HHAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)n[nH]2)CC1 299840768 WATXLIITIVMJEL-JBACZVJFSA-N 403.530 3.637 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OCCOC)OCO3)CC2=O 587485671 JMSDDEMQUHYGJH-LJQANCHMSA-N 400.427 3.805 0 1 HHAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cnc(Cl)[nH]c-4n3)o2)c1 587157392 KKYZWNDIYVLRTB-UHFFFAOYSA-N 423.633 3.695 0 1 HHAF CCOc1ccc(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587935389 FMRNWWNTRWKISI-UHFFFAOYSA-N 408.340 3.789 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2ccnn2)N1 587761202 UBAVFRMQPYHQAL-HXPMCKFVSA-N 401.283 3.967 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)O)cc1 587658484 RMVZOHMTJZQLPL-UHFFFAOYSA-N 414.389 3.578 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2OC(=O)[C@@H]1c1ccccc1 587408733 NZVQFQYJCXJEPZ-XUZZJYLKSA-N 401.418 3.846 0 1 HHAF COc1cc(-c2nc3c(O)nc(S)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144165 SMYXXYFYTSSPBH-UHFFFAOYSA-N 412.402 3.527 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OCC(N)=O)c(OC)c1)CC2=O 587459200 GVAMYLJRMCCXQY-KRWDZBQOSA-N 419.861 3.577 0 1 HHAF O=C(O)C[C@@H]1CCc2occc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614560 CNWIUROEEFWRIA-BNXMZRKRSA-N 406.390 3.879 0 1 HHAF Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587829592 RHWZEXVGROBXBN-FKIZINRSSA-N 420.278 3.984 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)CC2=O 587476048 SMVNGGYHYGNJIF-WAIKUNEKSA-N 401.503 3.630 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cncc(OC)c3[nH]1)C(=O)OC2 586915243 KANOYCGTLWPRND-LFYBBSHMSA-N 423.469 3.781 0 1 HHAF FC(F)(F)c1nn(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C2CC2)c1Cl 587117176 QGJOQKDBJRCNOL-UHFFFAOYSA-N 422.802 3.527 0 1 HHAF O=C1CC[C@](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)(Cc2cccs2)N1 15068289 YJRGJTIQIAHHFK-DVECYGJZSA-N 424.566 3.841 0 1 HHAF COc1ccc(-c2cn(-c3ccc4c(=O)n(-c5ccccc5)c(C)nc4c3)nn2)cc1 1857550622 AAJQEARTIMLDHA-UHFFFAOYSA-N 409.449 3.950 0 1 HHAF O=C(Cc1ccccc1)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 205774839 YEBWNEBTTYUFMD-ISKFKSNPSA-N 401.510 3.685 0 1 HHAF Cn1c(O)c(C(=O)C[C@H](Nc2cccc(N)c2)c2ccco2)c(=O)c2ccccc21 3846475 SJEIFFHTLDXJIT-KRWDZBQOSA-N 403.438 3.846 0 1 HHAF biogenic CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN(CC)CC)cc1 4049133 AKZHVYPTJXQLKZ-FYYLOGMGSA-N 409.530 3.635 0 1 HHAF CCC(=O)c1c2n(c3c(N4CCN(CCc5ccccc5)CC4)ncnc13)CCCC2 13559641 PQTPCEPOUMSJPV-UHFFFAOYSA-N 417.557 3.725 0 1 HHAF COc1ccc(OC)c(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)c1 82195740 RHUBRULYLOBJFW-UHFFFAOYSA-N 421.563 3.951 0 1 HHAF O=C1Nc2cccc(F)c2[C@@H]1Cc1cccc(C[C@@H]2C(=O)Nc3cccc(F)c32)n1 84466188 VZOSPYPPZDALSI-GJZGRUSLSA-N 405.404 3.917 0 1 HHAF Cn1cc(C[C@H](NC(=O)C2CCCCC2)C(=O)Nc2ccncc2)c2ccccc21 96931559 ILUSBRPOOCFDTN-NRFANRHFSA-N 404.514 3.820 0 1 HHAF CCCCOc1c(NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 101702632 OHSMLJZUTFSMMI-HNNXBMFYSA-N 411.502 3.711 0 1 HHAF CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C 103623308 WWDCFJJBQJAURZ-UHFFFAOYSA-N 418.954 3.580 0 1 HHAF Cc1noc(C)c1Cn1cc(N2C(=O)N(CCCc3ccccc3)C(C)(C)C2=O)cn1 116675736 LFXYWXMZWQGZGC-UHFFFAOYSA-N 421.501 3.716 0 1 HHAF Cc1nc2ccc(CN3CCOCC3)cc2n2c(-c3c(F)cccc3Cl)nnc12 149339504 BXKLAYQKTVKJCY-UHFFFAOYSA-N 411.868 3.878 0 1 HHAF CCNC(=O)Nc1nc2cc(-c3ccc(C)nc3)c(OC[C@@H]3CCOC3)nc2s1 169340119 UAKSVFADNNVFPA-CYBMUJFWSA-N 413.503 3.618 0 1 HHAF CCCCCCC(=O)OCC(=O)NC[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@H]1O2 253930777 YTRZQPXCORQEIS-HKXDHNKDSA-N 423.550 3.611 0 1 HHAF CCCn1c(C)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 299857821 DBNQCSLDUVNFOG-IBGZPJMESA-N 418.950 3.912 0 1 HHAF Brc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc2c1OCCO2 587000058 FCNJNVXQHIUXAL-UPHRSURJSA-N 401.216 3.996 0 1 HHAF Oc1nncc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161056 LPBVNXFZQAECJL-UHFFFAOYSA-N 402.183 3.814 0 1 HHAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335313 JOXUAPLLCNQTJU-MFNJMDGWSA-N 413.445 3.658 0 1 HHAF CCOC(=O)[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550923 WFQPPLOAYIBVNG-DNVCBOLYSA-N 410.344 3.998 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cn(C)c3ccccc23)N1 587753269 AUNAODAVNQIBQC-PRWKNARSSA-N 417.278 3.942 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3nc(C(F)(F)F)cs3)N12 962670006 QTYLUQBVUQXSEN-RDTXWAMCSA-N 407.417 3.898 0 1 HHAF CC(C)c1nn(C)c2c1[C@@](CCC(=O)O)(c1cccc(Br)c1)NCC2 962920505 MYKCXSLOTRIGJY-LJQANCHMSA-N 406.324 3.560 0 1 HHAF CC(C)COc1ncc(-c2ccc(C(=O)NS(C)(=O)=O)cc2Cl)cc1Cl 1857545760 NNADSLVSDJYYAU-UHFFFAOYSA-N 417.314 3.780 0 1 HHAF CC[C@]1(O)CC[C@@H]2CC=C3OC(=C4OC(=O)C(C)=C4OC)[C@H](C)[C@@H]3[C@H]3CCC[C@H]1N23 2356491793 QCAFHXTWKUQEOP-LDMNECOQSA-N 415.530 3.772 0 1 HHAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@@H](CC(=O)O)c3nc(-c4ccsc4)sc3C[C@@H]12 2356836529 LBSYNDMDCSIYJE-OLZMITSHSA-N 407.557 3.762 0 1 HHAF O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 12434337 VGYSMIAKAWBLPW-QHCPKHFHSA-N 409.917 3.983 0 3 HHAF O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc(F)cc1F 203474766 AAYSNPAPVHWYIQ-UHFFFAOYSA-N 414.481 3.849 0 3 HHAF COC1(c2cc(F)cc(OCc3ccc4c(c3)sc(=O)n4C)c2)CCOCC1 603618 DJTUUESGOZCESW-UHFFFAOYSA-N 403.475 3.970 0 1 HHAF COc1cc(C2=NOC(=O)C2=Cc2ccc(Br)cc2)cc(OC)c1OC 1099916 CPCOYZDCAHEQSX-UHFFFAOYSA-N 418.243 3.819 0 1 HHAF biogenic CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC 4152032 LTJMEAZCNFYDGA-JTHBVZDNSA-N 409.530 3.635 0 1 HHAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1C(C)C 13583817 MMOOHGBQILACBV-INIZCTEOSA-N 406.527 3.837 0 1 HHAF Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(CC(F)(F)F)CC2)n1 26728805 ZOLVPLVVVCAWCK-UHFFFAOYSA-N 420.414 3.928 0 1 HHAF CC1(C)OC(=O)C(Oc2cccc3cnccc23)=C1c1ccc(S(C)(=O)=O)cc1 26935379 PRVRFYFBPULTKN-UHFFFAOYSA-N 409.463 3.764 0 1 HHAF CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(Cl)c1 71281929 YWLSHLKQEGXXPH-UHFFFAOYSA-N 423.300 3.919 0 1 HHAF Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cnn(CC(N)=O)c12 72318465 MTKVCPWRXOEIFC-UHFFFAOYSA-N 410.840 3.823 0 1 HHAF CN(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1ccsc12 84672547 FARHIIJFUHOBIH-IBGZPJMESA-N 416.562 3.698 0 1 HHAF COc1cccc(CN2[C@H](CO)[C@@H](c3ccccc3)C23CN(Cc2ccccc2)C3)c1 95665182 HVYBJKJWQHYYIT-CLJLJLNGSA-N 414.549 3.910 0 1 HHAF O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cccc2c1oc1ccccc12 96917661 HTVKLKHWZOQSHC-IERDGZPVSA-N 412.445 3.708 0 1 HHAF C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(N)=O 101507839 ILYAOAUUXVJZJV-KBUPBQIOSA-N 404.511 3.571 0 1 HHAF COc1ccc(Nc2ncc([C@@H](O)C(C)(C)C)cc2-c2nc(C)nc3[nH]cnc23)cn1 113148395 XWMZQMMELKTFFV-LJQANCHMSA-N 419.489 3.950 0 1 HHAF Cc1nc([C@](C)(CC2CC2)NC(=O)c2cc(O[C@H](C)CF)c(C3CC3)cn2)no1 146280414 AQBSFPKMGMIOKK-GTJPDFRWSA-N 402.470 3.833 0 1 HHAF Cc1c(Br)cnc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 587194116 LWCGDFNOPSZWJE-GFCCVEGCSA-N 412.332 3.546 0 1 HHAF Cn1ccnc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336729 AKMVDDMJIZJAFK-XUZZJYLKSA-N 415.424 3.963 0 1 HHAF C[C@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341112 XVSDZESPZVLOSP-ISKFKSNPSA-N 421.424 3.670 0 1 HHAF CS(=O)(=O)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361082 RFNWNWQVZSHMDS-OZOXKJRCSA-N 404.459 3.616 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587471924 XHGQGNYHUCBTNG-BKTORNKPSA-N 419.518 3.998 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCCC2)nc1 587596987 STTGMLLPBJEGIF-KNQAVFIVSA-N 403.438 3.875 0 1 HHAF O=C(c1nnc(-c2ccccc2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661268 VTVDVWWARLKICM-UHFFFAOYSA-N 412.380 3.941 0 1 HHAF COc1ccccc1C[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587809259 SALXKAHJFRGXIW-NSPYISDASA-N 408.267 3.654 0 1 HHAF CCOC(=O)c1cc(OCC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OCC 587944834 HWESQABHSBUHCD-UHFFFAOYSA-N 413.449 3.971 0 1 HHAF O=C1C[C@H](N2CCN=C2C2=C(O)/C(=C\c3ccccc3)CC2)C(=O)N1c1ccccc1 618016110 OIMOZUCERHCROB-TXOBRMIJSA-N 413.477 3.722 0 1 HHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccnn2-c2ccc(F)cc2)N1 962638404 TWHVJRWGPJRVAP-KDOFPFPSSA-N 421.350 3.598 0 1 HHAF Cc1ccc2c(c1)[C@]1(NCC3(CCOCC3)c3cccc(C(F)(F)F)c31)C(=O)N2C 962957145 MUAXIKZESMKSGV-JOCHJYFZSA-N 416.443 3.885 0 1 HHAF CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2O)cc1 1857603482 SFQMDVJNIAAAJA-UHFFFAOYSA-N 408.429 3.786 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cc2)C1=O 1857767127 AQBAAJVXCQNCBD-UHFFFAOYSA-N 409.458 3.808 0 1 HHAF C[C@@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2c(NCCO)cccc12)C1CC1 1857768090 GRVVQFVPRMQJDS-GFCCVEGCSA-N 415.900 3.624 0 1 HHAF CCOC(=O)N1[C@@H](O)CC(=C2c3ccc(Cl)cc3CCc3cccnc32)C[C@@H]1O 1911573972 COBNLIJYZJNVGX-OALUTQOASA-N 414.889 3.525 0 1 HHAF COc1cccc2nc(C[C@H]3CN(Cc4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c12 2356302705 QQBBTDPAOXZWDO-SJORKVTESA-N 411.477 3.866 0 1 HHAF COc1cccc(CNC[C@@H]2O[C@@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)c1 2356609142 PEDOIBZNWKJBDN-GPXNEJASSA-N 408.498 3.591 0 1 HHAF CC(C)CCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCC(C)C 12477449 WYKOTZJZXOHDBH-UHFFFAOYSA-N 418.563 3.914 0 3 HHAF CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 72137852 ULGNROAIWIJIHS-PZVJUEDKSA-N 402.546 3.504 0 3 HHAF COc1ccccc1-n1c2c(cc(C(=O)N3CCC(C)CC3)c1=O)C(=O)CC(C)(C)C2 3654569 QNTBLPPMEDAKAP-UHFFFAOYSA-N 422.525 3.873 0 3 HHAF OC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 26993012 HWMXPWIBCCSOSY-UHFFFAOYSA-N 415.541 3.751 0 1 HHAF Cc1nc(N)nc(-c2cccnc2Nc2ccc(NC(=O)Nc3ccccc3)nc2)n1 113239653 IKMZBKGFXVMTRE-UHFFFAOYSA-N 413.445 3.607 0 1 HHAF CN(C)[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)NCCc1ccccc1 2356846868 ORFLRICCQMJVAN-FQEVSTJZSA-N 414.347 3.762 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@H](NCc3ccccc3)CO[C@@H]12 2356866392 WPAHMEUHQURAGX-MKXGPGLRSA-N 422.403 3.579 0 1 HHAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(S(=O)(=O)c1ccc(C)cc1)CC2 66111931 YLSAXQHLNORWTO-QGZVFWFLSA-N 414.571 3.941 0 1 HHAF COc1ccc(-c2nc3cc(F)ccc3c(=O)n2-c2ccc(S(C)(=O)=O)cc2)cc1 72108774 BIWZNWLUZBPWCO-UHFFFAOYSA-N 424.453 3.604 0 1 HHAF NC1=N[C@@](c2cc(NC(=O)c3ccc(Cl)s3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226082839 OYGZZPCYLPUPMV-VKHBWIJISA-N 415.824 3.987 0 1 HHAF Fc1cccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)c1 82181559 DFSRIURPMRQUTE-GOSISDBHSA-N 404.449 3.819 0 1 HHAF O=C(O)c1cn(CCCO)c2ccc(Cc3ccc(Cl)cc3Cl)cc2c1=O 40862929 ZKWJXAYBLHZWQD-UHFFFAOYSA-N 406.265 3.980 0 1 HHAF CC(C)(C)NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 199234665 ZLNZSPXPXHUCDB-JOCHJYFZSA-N 412.493 3.963 0 3 HHAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C/c4nccs4)c3)c12 261094950 FELQOQOKAKBNNM-VOTSOKGWSA-N 419.466 3.910 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(F)cc(Br)c3[nH]2)cc1 586940741 DYGKYSRLIANYTM-SREVYHEPSA-N 424.295 3.863 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 587827672 LZLGXBCNAISXBX-WYRIXSBYSA-N 406.251 3.675 0 1 HHAF O=C(CSCc1nc2ccc(CCO)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113323 HMQNLPUROVVNHH-UHFFFAOYSA-N 409.433 3.988 0 1 HHAF COC(=O)c1ccc(C=O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803504 BFCFVEQQZCHDPA-MLCYQJTMSA-N 406.251 3.811 0 1 HHAF CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587390819 OGYVZUNJEMDMMZ-DEOSSOPVSA-N 405.498 3.798 0 1 HHAF CC(=O)Nc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656872 SNZGGRSGXJUXRW-UHFFFAOYSA-N 419.387 3.989 0 1 HHAF COC(=O)c1cc2nc(Cl)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2n1C 587422156 RVTSXTALXVZYIK-WYRIXSBYSA-N 412.829 3.511 0 1 HHAF COC(=O)COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795762 RMPGXCSWYQOWKR-NSPYISDASA-N 408.267 3.764 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)NCC3CC3)c(=O)c3ccccc23)c(O)c1 587664604 FXWZAHRCTIPKDJ-UHFFFAOYSA-N 406.486 3.583 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(Cc3ccccc3)c2OC)c(O[C@@H]2CCOC2)c1 587926493 ZUSGTGZAMIHDKF-LJQANCHMSA-N 423.465 3.737 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1c[nH]c2ccccc12)C(=O)O 587586785 DMIIFHQDFXAOID-HYBUGGRVSA-N 415.401 3.901 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1C[C@H]1C(=O)O 587606765 GBTCOOBVWRBBPR-ODNSNXTGSA-N 402.402 3.970 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(cc1Cl)OCCO2 587545015 FYNXENCLWVLSNO-UZLBHIALSA-N 411.797 3.915 0 1 HHAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1ccc2cccc(O)c2n1 963194144 SOSSIMGWMYFANC-QHCPKHFHSA-N 406.482 3.698 0 1 HHAF Cc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963512593 XKQYLHZIZZMBRU-UUOWRZLLSA-N 411.498 3.743 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](C[C@H]3CCCN3)(c3cccs3)N12 962658569 DIOKLYFDJGTEGI-QFWMQHCXSA-N 421.566 3.781 0 1 HHAF Cc1nc2ccccn2c1CN(C)C(=O)c1cc(COc2ccc(F)cc2F)on1 11664194 WFXNUEUCTBQFMQ-UHFFFAOYSA-N 412.396 3.760 0 1 HHAF CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12 13641496 FXFIUDXEHWHQFN-UHFFFAOYSA-N 418.545 3.622 0 1 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 13660722 MIZKCYNMSIRCPU-CNOZUTPLSA-N 419.312 3.936 0 3 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCCc1ccncc1)CC3 14986847 MJJSVRBBBNZPSQ-IBGZPJMESA-N 416.550 3.591 0 1 HHAF CC(=O)OC[C@@H]1[C@H]([C@H](C)OC(C)=O)CC[C@H]2[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)CC[C@@H]12 17260058 ZAFHWUCEOHMPTI-WVYLHEHOSA-N 408.535 3.902 0 1 HHAF O=C(NCCCN1CCCCC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167074579 OKOLJZBPPAGTLO-UHFFFAOYSA-N 424.520 3.979 0 1 HHAF C[C@@]1(c2sc(C#CC3CCCC3)cc2Cl)CS(=O)(=O)C2(CCC2)C(N)=N1 207747048 REAMUSFVFQVUST-SFHVURJKSA-N 410.992 3.867 0 1 HHAF COc1ccc(-n2nc(C(=O)Nc3ccccc3F)c3ccccc3c2=O)c(OC)c1 2942944 NYHXGWKGQDPBCS-UHFFFAOYSA-N 419.412 3.794 0 1 HHAF Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1CNC[C@@H]1CCCO1 4992335 FOFDCQHEZOTDFJ-JBACZVJFSA-N 400.906 3.580 0 1 HHAF O=C(O)CCC(=O)Nc1ccc(Br)cc1C(=O)NCC1CCCCC1 29044770 VTMLLINJPXBCKJ-UHFFFAOYSA-N 411.296 3.563 0 1 HHAF CC(C)(O)C[C@H]1CC[C@H](c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)CC1 101693258 FNQZTVFWIXAXPH-IYBDPMFKSA-N 410.518 3.533 0 1 HHAF O=c1[nH]c2ccccc2cc1OCCN1CCN(c2cccc3sccc23)CC1 115088252 BOKAVZYMEBZBJT-UHFFFAOYSA-N 405.523 3.944 0 1 HHAF O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2ncccc2Cl)CC1 27709213 PTBHTCKFKFQPHA-UHFFFAOYSA-N 422.982 3.645 0 1 HHAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4C[C@]5(C)CN(C)C[C@](C)(C4)C5)[C@H]3C=C12 504617089 FIPCGZHKEIMIJW-OBOGXMQZSA-N 400.607 3.964 0 1 HHAF biogenic O=C1[C@H]2CCCN2C(=O)N1CCCCCCCCNC[C@@H]1CCc2ccccc2O1 38239403 JXAQAPJCKXJXJW-LEWJYISDSA-N 413.562 3.737 0 1 HHAF Cc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2 40936398 KPTLLDAXZGPLSV-LJQANCHMSA-N 420.513 3.515 0 1 HHAF CCOc1ccc2cc(-c3nn(C[C@H]4CCCN4C)c4ncnc(N)c34)ccc2c1 84689160 KZVLRENEMGQTKW-GOSISDBHSA-N 402.502 3.722 0 1 HHAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 82180790 YJIMXGMHCZGTQA-UHFFFAOYSA-N 424.524 3.804 0 1 HHAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O 25225041 WODNGZYRZIVRDJ-QAPCUYQASA-N 405.885 3.823 0 1 HHAF biogenic O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95893317 ZOWVXJIKOIIXAG-YTFSRNRJSA-N 422.500 3.722 0 1 HHAF COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC(C)C 141947589 YDVSIQPHXZYCFM-OAHLLOKOSA-N 407.470 3.608 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cn1 140696118 ACZAFEQDAPBKEG-WOJBJXKFSA-N 407.470 3.657 0 1 HHAF CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc3ccccc3c2)CC1 149227743 WLZXUSZDVLEBPZ-UHFFFAOYSA-N 411.502 3.542 0 1 HHAF OC[C@@H]1[C@H](c2ccc(-c3ccncc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95873888 PXFCYAIBXSRYMU-JIMJEQGWSA-N 414.553 3.568 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=C[C@@H]4CCCC[C@H]43)CC1)[C@H](O)C2 261189535 YOOZACONZOWRFD-GRBVSQBPSA-N 407.620 3.962 0 1 HHAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587590636 CVWDGHLZEOMHAY-DENIHFKCSA-N 406.390 3.890 0 1 HHAF COc1ccc(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2C)c(OC)c1 587931254 RLYXYQIRBQXDLQ-UHFFFAOYSA-N 423.494 3.870 0 1 HHAF CC(=O)CC(=O)N(C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C 587386860 MGDUSKMZKFIUCH-DEOSSOPVSA-N 422.481 3.539 0 1 HHAF NS(=O)(=O)c1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587150690 NMPMRLAPHFPNJM-LJQANCHMSA-N 415.421 3.657 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(C(=O)OC)cc1)CC2=O 587482651 UWWIXSCXYNLDBU-HSZRJFAPSA-N 412.438 3.555 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)O2 587391251 QSVXWQNQAYKLBO-KDLSMAQYSA-N 402.450 3.923 0 1 HHAF C[C@@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578879 BRVWXVABUWVNJN-URXFXBBRSA-N 413.433 3.909 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN3CCOCC3)cc1)CC2=O 587474751 JIIBEAKJIWDXRY-HSZRJFAPSA-N 411.498 3.762 0 1 HHAF COc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1CN1CCCCC1 963513118 YPOURJSQXCGQMM-OFVILXPXSA-N 424.541 3.558 0 1 HHAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@]12c1c(F)cccc1C[C@H]1CCCN12 963101402 RKDLHHFEWXGEQB-XQNUDUSMSA-N 404.526 3.991 0 1 HHAF c1ccc([C@]2(Cc3ccc(N4CCOCC4)cc3)NCCc3nc4ccccn4c32)cc1 962990687 SKHSGPQTSRSFSX-MHZLTWQESA-N 424.548 3.803 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(-c2cnn(C)c2)cc2ccccn12 963613267 UVLUYYQHEOVOMZ-CMJOXMDJSA-N 402.498 3.981 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C3CCN(CC3)[C@H]1Cc1cccnc1)N(C)[C@@H](C)C2 962564689 HHEMQKDABRTWAD-HDBFHEOPSA-N 407.558 3.507 0 1 HHAF COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)ccc1O 14697276 KKBKTGYRMZXDKM-NLFFAJNJSA-N 420.461 3.918 0 1 HHAF biogenic,in-vitro CC(=O)OC[C@@H]1[C@@H]([C@H](C)OC(C)=O)CC[C@H]2[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)CC[C@@H]12 17260065 ZAFHWUCEOHMPTI-HDMQUDNOSA-N 408.535 3.902 0 1 HHAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 169704975 GAEXNZNJBBGMQI-CRAIPNDOSA-N 412.465 3.623 0 1 HHAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@@H]2[C@@H](C1)CN2C(=O)c1ccccc1 205434977 GAIJRQBCRJNVSN-MAUKXSAKSA-N 404.297 3.659 0 1 HHAF Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1 205217020 GRPVBCJOCSTEDG-CZUORRHYSA-N 408.882 3.520 0 3 HHAF Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2C)cc1 1857584127 NSVFSHBRXBWYKD-UHFFFAOYSA-N 408.523 3.712 0 1 HHAF Cn1ncc2c(Oc3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)ncnc21 1857584776 VNVZPFIYWMQAIO-UHFFFAOYSA-N 407.434 3.507 0 1 HHAF CC1CCN(c2ccnc(Nc3ccc(OCCCN4CCOCC4)cc3)n2)CC1 1857617279 QZQLLPUXRWTZIA-UHFFFAOYSA-N 411.550 3.558 0 1 HHAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](c4ccccc4)C3)cc21 5834186 HBHYKGASTKIKEH-IBGZPJMESA-N 423.488 3.745 0 1 HHAF COc1ccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2)cc1 11789794 TUOFWCYYWCPZPW-HTAPYJJXSA-N 418.497 3.665 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 13447528 LLAHJYBITWOMNU-GSPCLOLRSA-N 407.510 3.871 0 1 HHAF COc1cc(OC)c2c(-c3ccc4c(c3)OCO4)c3c(c(OC)c2c1O)COC3=O 14435097 HVJLXRHXIVYZJS-UHFFFAOYSA-N 410.378 3.637 0 1 HHAF biogenic O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(-c2cc3ccccc3oc2=O)c1 15968128 YZZKRIZRJMANSB-OAQYLSRUSA-N 413.429 3.886 0 1 HHAF biogenic CC(C)[C@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 29231103 NORIGZIQDFXCCK-KRWDZBQOSA-N 405.376 3.884 0 1 HHAF O=C(Cc1cccs1)N[C@H]1CCN2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2C1 33910524 VMGQGQGWTGWVQO-OXJNMPFZSA-N 419.506 3.560 0 1 HHAF biogenic Cc1nsc(-c2ccc(N3CCN(c4ccccc4C(F)(F)F)CC3)nn2)n1 38153790 LSQZYUCUOQBBMN-UHFFFAOYSA-N 406.437 3.649 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(oc3c(OC)c(OC)c(OC)cc13)C2=O 40413284 RJBSNVUHUREXSH-UHFFFAOYSA-N 400.383 3.696 0 1 HHAF CCN(CC)CCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40846604 JOWBTMNHXTYWFA-HSZRJFAPSA-N 411.498 3.805 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO)[C@@H]3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)C[C@H]21 58566118 PKVICYZLWZIYRA-CNEWMTETSA-N 404.591 3.890 0 1 HHAF CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71340306 SMXPLGYMXYDTQB-OAHLLOKOSA-N 412.436 3.563 0 1 HHAF c1ccc(-c2nc([C@H](NCCCn3ccnc3)C3CC3)oc2N2CCOCC2)cc1 72186095 PGSGXKMUPHJASX-HXUWFJFHSA-N 407.518 3.506 0 1 HHAF CC1=C[C@@H]2/C=C(/C)CCC[C@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C 102037876 HXVGXVHKKDWYHZ-YTIBQKFISA-N 401.547 3.689 0 1 HHAF COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(Cc3ccccc3)C2=O)cc1 103243720 JVDPLXZNMOLMCP-UHFFFAOYSA-N 401.466 3.514 0 1 HHAF Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(C(C)(C)C)n1 140008210 YDXUAMKMQQJWAK-SFHVURJKSA-N 407.565 3.744 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](CO)CC(C)C)cn1 141958516 ZZPFPKMHVPSPDP-IBGZPJMESA-N 409.486 3.761 0 1 HHAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 169308090 JNKULAKTGYKDIS-LJAQVGFWSA-N 404.491 3.763 0 1 HHAF C[C@H](c1ccncc1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 169370780 DITLQKIQKDAIBV-QZTJIDSGSA-N 401.576 3.835 0 1 HHAF Cn1cc(C(=O)c2cncc(NC(=O)CCc3cccc(Cl)c3)c2)c2cncnc21 169707870 NEFQHOWDIJMWCO-UHFFFAOYSA-N 419.872 3.819 0 1 HHAF Cc1nc(-c2ccccc2F)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12 169711674 IFXJKYPRCPDSHA-UHFFFAOYSA-N 405.481 3.658 0 1 HHAF Cc1nc(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)sc1C 199431609 MQRVZBADYAFMHA-GOSISDBHSA-N 423.586 3.999 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CN2CCCc3ccccc32)cc1 199934939 WQWBOANGWFZPAY-UHFFFAOYSA-N 410.543 3.791 0 1 HHAF CN1C(=O)[C@@]2(N=C1N)c1cc(CCC3CC3)ccc1CC21CCC(OC(F)F)CC1 201243434 ICEWIUVLYPPZQQ-KGBGCIRMSA-N 417.500 3.736 0 1 HHAF COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@@H](C)CN)c1 204172728 SOYCCBHGJYSWNQ-HNNXBMFYSA-N 418.501 3.533 0 1 HHAF CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)c2ccccc21 261135921 MBHKGHDNJWASRA-IRFCIJBXSA-N 424.589 3.545 0 1 HHAF Cc1c(F)ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 586999459 AYLRUNSTKNOUSO-UHFFFAOYSA-N 404.239 3.741 0 1 HHAF Nc1ccc(-c2nc3cc(I)cnc3[nH]2)c(C(F)(F)F)c1 587095182 BCVFEVLBEXBQJW-UHFFFAOYSA-N 404.133 3.831 0 1 HHAF CCOC(=O)Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234917 YSBFRUGUFCZFDW-UHFFFAOYSA-N 415.490 3.532 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccccc1Br)[C@@H](C2)C3=O 587414954 ZHNWFTUSATVFGI-XOBRGWDASA-N 417.255 3.965 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C 587474898 IEZAFRUPFMOYHE-MGYADMTCSA-N 416.518 3.745 0 1 HHAF C[C@@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517686 SELZGGHATLGODE-LMKMVOKYSA-N 419.477 3.884 0 1 HHAF COC(=O)CC[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577095 JAPTZMJBJWYTSC-ZJSXRUAMSA-N 419.433 3.785 0 1 HHAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 587638407 GDCUBFXXVAJJGK-LBPRGKRZSA-N 402.447 3.767 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 587762283 SBJZIVXTQJOZFR-ZMZPIMSZSA-N 417.278 3.850 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCC(=O)O)N1 587792388 KSBXCGBMMQYECP-NSPYISDASA-N 408.267 3.849 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587834929 NKKAHHQEEJTYSN-WLRWDXFRSA-N 412.299 3.964 0 1 HHAF CON(C)C(=O)[C@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653797752 FVVHUTWGRYEXJN-IRXDYDNUSA-N 406.404 3.759 0 1 HHAF Cn1ccnc1[C@@]1(c2cccc(N)c2)NC2(CC2)Cc2ccc(Br)cc21 961747034 FIGAWIDGARBTDY-NRFANRHFSA-N 409.331 3.735 0 1 HHAF COc1ccc2c(c1OC)[C@@](CC1OCCO1)(c1ccc(Cl)nc1)N(C)[C@@H](C)C2 962564068 GNUYSHASLMPPLO-RCDICMHDSA-N 418.921 3.635 0 1 HHAF CCOC(=O)C[C@@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716901 TXOHRKZEOVCQIR-HTAPYJJXSA-N 407.551 3.764 0 1 HHAF Cc1nc2ccccc2nc1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974772 LKXRSFGEIVRNNF-YWZLYKJASA-N 403.816 3.732 0 1 HHAF COc1cccc(-c2cn(C3CC3)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c1 1772608938 BLTMFNWSLAKLEQ-UHFFFAOYSA-N 407.489 3.903 0 1 HHAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 1857601358 HVCLJLFYVDNOAP-GUXCAODWSA-N 406.419 3.590 0 1 HHAF COC(=Cc1ccc(O)cc1)C(=O)NC=Cc1ccc(OC)c(Br)c1 2356418720 UCXFHNQSLPZQNU-UHFFFAOYSA-N 404.260 3.938 0 1 HHAF Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 8511101 OSNAZRTWDFNNGW-MRXNPFEDSA-N 412.433 3.806 0 3 HHAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 61920942 MFYHHOMBVUKJFU-IBGZPJMESA-N 415.578 3.537 0 3 HHAF COc1ccccc1CCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1cccs1 61926044 HVUFCQUIOATNNW-UHFFFAOYSA-N 407.495 3.971 0 3 HHAF COc1ccc(CN2CCN(c3ncc(C(=O)NCc4ccccc4)s3)C2=O)cc1 205208548 NTUHOOCDYXWWFW-UHFFFAOYSA-N 422.510 3.524 0 3 HHAF COc1ccc(Nc2ncc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc23)cc1 4057044 HIKAZOMISGCQRE-UHFFFAOYSA-N 419.481 3.966 0 3 HHAF Cc1cccc(N2C(=S)N[C@H]3c4cc(Cl)ccc4O[C@]2(C)[C@@H]3C(=O)N(C)C)c1 4598588 LJUAQGRPCBYPRT-BBTUJRGHSA-N 415.946 3.897 0 1 HHAF COc1cc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)cc(OC)c1 100106479 CEWTUKPHHOVUAF-QEIWAGNOSA-N 401.510 3.706 0 1 HHAF COc1cc([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCCO4)cc(OC)c1OC 100869350 JXRDAHBTYSIPAL-LJQANCHMSA-N 411.410 3.501 0 1 HHAF Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1 29134757 HZYVHWDHIRWTNY-UHFFFAOYSA-N 415.375 3.891 0 1 HHAF O=C(CCCN1CCN(C[C@@H]2CC(=O)c3ccccc3C2)CC1)c1ccc(F)cc1 22925148 WIVGCTVBLDUZMD-IBGZPJMESA-N 408.517 3.852 0 1 HHAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](SCCN)C[C@H]1[C@H]2C(=O)OC 2356498441 AICWVYNHUHODST-MBPVOVBZSA-N 413.587 3.513 0 1 HHAF COc1cc(OC)cc(C(=O)NC2CCN(C[C@@H]3CCc4ccccc4C3)CC2)c1 36351792 DGPICROTJMMURG-GOSISDBHSA-N 408.542 3.703 0 1 HHAF COc1nc2cc(F)ccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 73240841 ZQLBOHHYQIJYTD-UHFFFAOYSA-N 409.465 3.748 0 1 HHAF COc1ccc(CN2CC[C@H]3CC(=O)N(Cc4ccc(OC)cc4)CC[C@H]3C2)cc1 15673103 TWRMKFHCVRULAT-VXKWHMMOSA-N 408.542 3.965 0 1 HHAF biogenic CCc1ccc(CN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 40918011 KSMQYJKWIPAZLB-HSZRJFAPSA-N 414.500 3.917 0 1 HHAF COc1ccc(CNc2cc(-c3ccc(OC)c(OC)c3OC)ncn2)cc1OC 82160368 MEYHYXBNFHNFME-UHFFFAOYSA-N 411.458 3.799 0 1 HHAF O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(OCCNC3CCCC3)cc(O)c12 40949588 YHRWUYXPYNMJBO-UHFFFAOYSA-N 423.465 3.848 0 1 HHAF CC(=O)N1CC=C(c2cccnc2OC2CN(c3nc4ccccc4s3)C2)CC1 96168998 ZNFCWOODJBQTAH-UHFFFAOYSA-N 406.511 3.595 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OC/C=C\I)[C@@H](c1ccccc1)C2 253782725 PTARSFHGDDMYOJ-JODASEHESA-N 411.283 3.745 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OCCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 253688998 LLAHJYBITWOMNU-GPJHCHHRSA-N 407.510 3.871 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587485720 QOIWOEPTXLEEMS-DEOSSOPVSA-N 423.465 3.955 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806676 KPPKZTXAYYSGQU-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cncc(Br)c2[nH]1)C[C@H]1CCCO1 587195986 LWTXCCNNWDRJNO-LLVKDONJSA-N 411.300 3.637 0 1 HHAF COc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1O 587656522 MMGQKDDAGPZTRR-UHFFFAOYSA-N 408.360 3.744 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)ccc(F)c12 587567514 DCVQUGXMZBEJCM-HRAATJIYSA-N 411.772 3.994 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 587125458 FRAHACZKSSOEFS-LDWIPMOCSA-N 401.190 3.891 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(N)c2N 587473350 SIGKVTWNASOXJD-VWLOTQADSA-N 414.461 3.963 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 587799037 VWVIDOXQLFILNW-FQWGINHLSA-N 417.322 3.839 0 1 HHAF COC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2n1 587091351 JAYZVZGKCIRUIW-UHFFFAOYSA-N 420.269 3.766 0 1 HHAF COc1cc2c(cc1OC)[C@](CSCC(=O)O)(c1ccccc1)N(C)[C@@H](C)C2 962621374 JLGRLLLKLWGJKU-NYHFZMIOSA-N 401.528 3.642 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CCN(C)C)c2)cc1 1772635646 LLGNWULJKGEJSB-UHFFFAOYSA-N 412.559 3.609 0 1 HHAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 1772637723 IWPQXLPVRVLKEQ-WMLDXEAASA-N 407.436 3.998 0 1 HHAF COC(=O)C1=C(c2ccc(OC)c(OC)c2)O[C@@H](c2ccc(OC)c(OC)c2)C1 5811241 CVBAOZNTGIDNRI-GOSISDBHSA-N 400.427 3.767 0 1 HHAF COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1 13492652 SODILGGAOBCWFX-UHFFFAOYSA-N 408.329 3.554 0 1 HHAF COc1cccc(C(=O)c2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)c1 13530449 SCJFGVSZJWDZNU-UHFFFAOYSA-N 410.447 3.725 0 1 HHAF Cc1oc(C(C)(C)C)nc1CCOc1ccc(C[C@H]2CO[C@](C)(C(=O)O)OC2)cc1 169014382 KLUBODSSPYNARE-LBEPJEHYSA-N 417.502 3.908 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OCC4CC4)cc3F)C2)cc1 169709154 OSZMNTMCSNIYFG-MGPUTAFESA-N 413.493 3.864 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c1 4208531 IHTRSECRVIKUEF-CTNGQTDRSA-N 414.889 3.689 0 1 HHAF CCOCCn1cnc2sc(C(=O)Nc3nc4ccccc4s3)c(C)c2c1=O 4716313 AMQMVTWWJGMPMZ-UHFFFAOYSA-N 414.512 3.665 0 1 HHAF CC=Cc1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 2356406526 YWJJIZDJLXSKMI-RNODOKPDSA-N 402.443 3.975 0 1 HHAF O=C(NCC(=O)N(CCO)C1CCCCCCCC1)c1cc2cc(Cl)ccc2[nH]1 28134240 RLDSBTVOFPTWRH-UHFFFAOYSA-N 419.953 3.875 0 1 HHAF O[C@H]1CN[C@@H](CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 28528825 NWUCCGFOUDIMGP-FGZHOGPDSA-N 420.532 3.785 0 1 HHAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)c1ccccn1 68204851 WNDMOUJMYZPIGZ-LJQANCHMSA-N 420.423 3.996 0 1 HHAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@H](COC(C)=O)[C@@]2(C)CCc1ccoc1 2356485886 WVLBBIUEFLDDRO-SNVADZQDSA-N 404.503 3.678 0 1 HHAF COC[C@@H]1Cc2ccc(OC)c(OC)c2[C@H](c2ccc(OC)c(OC)c2)[C@H]1COC 2356669335 XXPBZAWBQMPGDH-NPPFBWRTSA-N 416.514 3.934 0 1 HHAF CC(=CCC[C@H](C)C1=C[C@@H]2O[C@@]3(C)C[C@@]4(O)[C@H]5C(CO)=CC[C@@]14[C@@]2(C)C[C@H]53)CO 2356837168 LHLGFPJZAWXXIN-VQZYMSPMSA-N 400.559 3.525 0 1 HHAF O=C(c1ccc(C(F)(F)F)cc1)N1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C1 73220014 PZTRMLJXELCOOI-SFHVURJKSA-N 413.399 3.769 0 1 HHAF O=C(N[C@]1(Cc2ccccc2)CCN(CCc2cccs2)C1=O)c1ccccc1 36389155 SBRKKDLGUWSAGX-DEOSSOPVSA-N 404.535 3.934 0 3 HHAF FC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CC5(CCNCC5)C4)nc32)c1 73258502 NRHBVVQSMCFGOS-UHFFFAOYSA-N 418.423 3.658 0 1 HHAF Nc1ncc(I)c(-c2c[nH]c3cc(Br)ccc23)n1 72110263 JMIZTNPQJJRDDG-UHFFFAOYSA-N 415.032 3.574 0 1 HHAF CO[C@H]1CC[C@@H](n2nc(Oc3cc(C(F)(F)F)ccn3)c3c(N)ncnc32)CC1 1911572583 SSDSGYXLSNMFIZ-TXEJJXNPSA-N 408.384 3.745 0 1 HHAF CC(C)(C)CC(=O)OC[C@@]1(CO)C/C(=C/c2ccccc2C(F)(F)F)C(=O)O1 40860215 BRKJIEPIDPJLMN-HTJTXACHSA-N 400.393 3.746 0 1 HHAF C[C@H](CN(C)c1nc2ccccc2o1)Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1 40712419 BWMOTGSJGDXHLN-FZKQIMNGSA-N 411.483 3.626 0 1 HHAF C[C@@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc2ccccc2c1 45385734 MFBRVGWZBCQSSV-FQEVSTJZSA-N 423.582 3.719 0 1 HHAF C/C=C/c1cc(OC)c(O[C@@H](CO)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 40874370 DUJNSKUXRWKFJS-IWAYRVGRSA-N 418.486 3.745 0 1 HHAF CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccs2)n2nccc2N1 40411629 WGRSDLNYTVIJME-OAQYLSRUSA-N 423.517 3.721 0 1 HHAF CCCn1nccc1NC(=O)CN(Cc1nc(C2CCCCCC2)no1)C1CC1 89960599 LINMWPQQDHSYTA-UHFFFAOYSA-N 400.527 3.717 0 1 HHAF C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCc1ccccn1 82083823 NMDFHYCYWLSIHK-ZDUSSCGKSA-N 415.902 3.763 0 1 HHAF COC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ncnc21 84671584 QOFUEIJYWQQFJE-HNNXBMFYSA-N 418.856 3.561 0 1 HHAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N=C1N 95603622 ZKNFURWSEBVNEE-HXUWFJFHSA-N 403.404 3.916 0 1 HHAF CS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 149345365 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WWQBGXBCMFMVEJ-VGOFRKELSA-N 409.511 3.672 0 1 HHAF CN(C)C[C@H](O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1 3581447 ZVSBKYYVBCKDBO-HNNXBMFYSA-N 415.444 3.543 0 1 HHAF in-vivo COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1cccc(OC)c1OC 1857536163 ZXSWQFWLEGIFCI-RLQODHJXSA-N 414.454 3.999 0 1 HHAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 13598796 YUIOLTJERQAJEI-PBXDEEKDSA-N 414.461 3.505 0 1 HHAF COc1cc([C@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)cc(OC)c1O 16958702 MPDXBMJHDYBXLL-VJHPCUNCSA-N 413.470 3.720 0 1 HHAF N[C@@H]1C[C@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cccc3F)n2)CC[C@@H]1O 96177719 NVJQBUJOLXOHIS-WTGRHJARSA-N 423.463 3.803 0 1 HHAF COCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)c(F)cc21 96929144 NXMQDCGRTSYYID-UHFFFAOYSA-N 422.387 3.879 0 1 HHAF Cc1cccc(C)c1NC(=O)CN1C[C@H]2CC[C@H](C1)N2c1ncnc2sccc12 101850705 IBRWYASHNPXKCB-IAGOWNOFSA-N 407.543 3.600 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)Nc2c(C)noc2C)c2n1CCOC2)c1ccccc1 143938762 HGJKXEJJCICMSU-GOSISDBHSA-N 422.485 3.757 0 1 HHAF Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 169356122 ORDMBNHJHVBOOO-VABKMULXSA-N 408.546 3.920 0 1 HHAF COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@H]32)c1 169689082 VQGLTDOEKNJEPX-PKTZIBPZSA-N 419.481 3.919 0 1 HHAF CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@H](c2ccc[nH]2)[C@@H]1C(=O)Nc1ccccn1 169724997 LELYHAMBMHVVSC-TZIWHRDSSA-N 414.469 3.530 0 1 HHAF COC1CCC2(CC1)Cc1ccc(OC[C@@H]3CC3(F)F)cc1[C@@]21N=C(C)C(N)=N1 210676541 QSYNDUROVMEDHR-KNQAWESUSA-N 403.473 3.837 0 1 HHAF CC(C)c1cn2c(NS(C)(=O)=O)nnc2cc1OCC12CC3CC(CC(C3)C1)C2 218020001 QEMGJELJMDHPFO-UHFFFAOYSA-N 418.563 3.819 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2c(C(=O)OC)cccc2[nH]1 587181573 VTHXFZJNRPGFGZ-VIFPVBQESA-N 424.242 3.789 0 1 HHAF COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1C 587183057 AJAPZGXHHOBCMS-ZDUSSCGKSA-N 407.255 3.727 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N1CCOCC1)O2 587375965 GDJABALWUMXCEH-IBGZPJMESA-N 417.303 3.883 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1conc1C(=O)OCC)CC2=O 587487893 YJPPQTGNEWMVQJ-HSZRJFAPSA-N 422.437 3.813 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)o1 587582932 PNTFLLYETGRKEK-OFNKIYASSA-N 407.422 3.649 0 1 HHAF COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587591642 DHPPEMXUKSDKPD-NZQKXSOJSA-N 406.390 3.647 0 1 HHAF CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C 587774472 ODDYSPIIAUVQGK-PRWKNARSSA-N 403.295 3.905 0 1 HHAF CCN(c1ccc(-c2csc(-c3ccnc(NC(C)=O)c3)n2)cc1)S(C)(=O)=O 587923580 XUWADZHABMGPMO-UHFFFAOYSA-N 416.528 3.616 0 1 HHAF Cc1c(F)ccc2c1[C@@](CC(=O)c1ccc(Cl)cc1)(C(=O)NC1CC1)NCC2 962378765 UMUUYWJCTLXZPI-QFIPXVFZSA-N 400.881 3.680 0 1 HHAF CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1[C@@H]1c2c(cnn2C)CCN1C 963954194 HOHVWHGNDRCLRS-GOSISDBHSA-N 407.301 3.962 0 1 HHAF CCc1ccc2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1 1857545559 XCHRRQAQQMSBHL-IBGZPJMESA-N 407.518 3.503 0 1 HHAF C[C@]1(c2ccc(Br)cc2)CC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 1857571236 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COc1ccc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@@H]23)cc1OC 35465076 UTPBMRNHPNUBLT-MXKXFIQMSA-N 400.427 3.516 0 1 HHAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(F)c2)C[C@H]2CC[C@@H]1N2C 36271302 MFXOPVPJQXKRIK-BKBUGSPTSA-N 401.263 3.976 0 1 HHAF Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(F)c3)cc2)no1 45495390 OIQAQOBGGHVKJY-UHFFFAOYSA-N 406.464 3.732 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3cccc(F)c3)C2)n1C 49033050 JEBLLBOUXXZBPR-HRAATJIYSA-N 413.522 3.673 0 1 HHAF Cc1ccnc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1 84619338 SWITYPSOILNGKL-UHFFFAOYSA-N 416.529 3.882 0 1 HHAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(O[C@@H]2CCNC2)n1 144301403 CNZCKSZBAJRWRS-QGZVFWFLSA-N 406.461 3.834 0 1 HHAF CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 95552366 NSFXNYRTFOGQJW-PKIWBCANSA-N 407.539 3.986 0 1 HHAF NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccc(O)c4[nH]c([C@H]5C[C@H]6CC[C@H]5C6)nc14)(C3)C2 653682144 LPRBRUJYZCFLPE-JHLKWORGSA-N 420.557 3.952 0 1 HHAF O=C(O)c1cc(Br)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586914082 ZPBDTAUBQOJFQR-UHFFFAOYSA-N 417.259 3.826 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccnc(O)c3[nH]2)c1C=O 586967524 ALALUODVTGPLKC-UHFFFAOYSA-N 413.890 3.975 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1cncnc1)[C@@H](C2)C3=O 587418465 QTDYVWNSUOBGSK-LAUBAEHRSA-N 423.266 3.939 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)C)nn(C)c1N1CCOCC1)CC2=O 587476103 PBUHCJYYFIYSOI-IBGZPJMESA-N 413.518 3.745 0 1 HHAF Cc1cc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n2n1 587585507 DZPJLLHOGYYQJB-OFNKIYASSA-N 401.422 3.929 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cccnc1)CC2 587579855 ADDGUHBQXISXRM-OAQYLSRUSA-N 402.450 3.784 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587734850 RWSJEGAVIUEFAO-HOGDKLEQSA-N 422.225 3.866 0 1 HHAF O=C(NCCc1ccccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657299 XYYBTMGLNPHZKD-UHFFFAOYSA-N 406.392 3.537 0 1 HHAF O=S(=O)(c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1)C(F)(F)F 587154719 DIRGZLLWVCQEPT-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(-c3ncoc3CCC(F)(F)F)nc-2[nH]1 587091175 BVSAEQQTCVJUQB-UHFFFAOYSA-N 404.352 3.772 0 1 HHAF CCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n12 584904989 ZBZNBRLJRWPWRY-UHFFFAOYSA-N 413.396 3.563 0 1 HHAF in-vitro O=C1CC(NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)nc4)ccc3n2)C1 1772645847 QWVOLSBOUZZVFW-UHFFFAOYSA-N 401.344 3.902 0 1 HHAF O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 13601704 CZSIXZKMOIKIMG-JOCHJYFZSA-N 412.424 3.853 0 1 HHAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169355258 YUIOLTJERQAJEI-WHLMCFGLSA-N 414.461 3.505 0 1 HHAF O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)c1cccnc1 206040187 MMQNNBMWIFYXPK-QTZVNIFKSA-N 417.553 3.994 0 3 HHAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC3CC3)c2)nc1 209436336 JLHLEPLQXHHVID-UXHICEINSA-N 402.498 3.910 0 1 HHAF CC(C)(C)OC(=O)N1CCc2c(sc3ncn(CCc4ccccc4)c(=O)c23)C1 1857548045 NEHXPYLVSLJGAQ-UHFFFAOYSA-N 411.527 3.994 0 1 HHAF COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c(OC)c1OC 772574 MSOFXCYTYOJVKB-SJLPKXTDSA-N 418.877 3.546 0 1 HHAF COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCCOCCO)cc1 2480909 AMZXHXHPRWVFBG-UHFFFAOYSA-N 424.497 3.879 0 1 HHAF C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O 13674849 DXVUFDJAEHWWRG-KRWDZBQOSA-N 404.514 3.642 0 1 HHAF CCOc1ccc2c(C(F)(F)F)c(OC)ccc2c1C(=S)N(C)CC(=O)O 13823532 ZPLNHZRIOJYAPT-UHFFFAOYSA-N 401.406 3.958 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2cccs2)[C@@H]1Oc1ccc(C(=O)O)cc1 27210574 KSZGODRREPXHOC-GOSISDBHSA-N 402.472 3.710 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC(=O)C2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820907 IQVARJFISHWEFV-BXZRHGNGSA-N 404.547 3.721 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1c1c(C(F)(F)F)n[nH]c1C2 34891639 GIDDZCBUKLSXSR-GXFFZTMASA-N 405.829 3.923 0 1 HHAF CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O 38157781 HJMJXSLZAFZRFV-QHCPKHFHSA-N 419.569 3.595 0 1 HHAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCCCO)c2c1 43077585 CAFABAJGDJOUNP-UHFFFAOYSA-N 413.470 3.679 0 1 HHAF COc1cc([C@H](c2oc(CO)cc(=O)c2O)c2c(C)[nH]c3ccccc23)ccc1O 64549596 SIBCJYCGIRWLEO-NRFANRHFSA-N 407.422 3.522 0 1 HHAF COc1ccccc1CNC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 71296368 DVLRSNMYKRYPFZ-UHFFFAOYSA-N 400.438 3.716 0 1 HHAF O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@]1(CCCOC1)NCC3 73221477 OVDCCBDDPCBOAW-OAQYLSRUSA-N 401.459 3.556 0 1 HHAF COCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187069 RCLAHLQICFZHQJ-UHFFFAOYSA-N 407.449 3.639 0 1 HHAF CCNC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]32)C1 84671946 BUZBLZXAHHJJTE-REIPENFLSA-N 404.595 3.894 0 1 HHAF COc1ccc(-n2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)cc1 142033750 LSXSGJKNEVEKER-HNAYVOBHSA-N 422.489 3.825 0 1 HHAF C[C@@H]1N[C@H](C)[C@H](C)N(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)[C@H]1C 253917828 ODRYYALTRCCVOI-VLEAKVRGSA-N 416.736 3.776 0 1 HHAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2cnccc21 261176694 VATWUHJOCAJJQN-BJWYYQGGSA-N 402.420 3.744 0 1 HHAF O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473162349 AOCUBVGHAGVKIE-ALKREAHSSA-N 422.435 3.889 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 586927709 WVDGQUQUNONZOM-FPLPWBNLSA-N 421.272 3.557 0 1 HHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586939840 XRFUWLMTRDZLDT-IAGOWNOFSA-N 421.910 3.616 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1 587061235 SBXILRCDKOJYGM-UHFFFAOYSA-N 407.861 4.028 0 1 HHAF COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587389886 MUCWLVIBZFYOQU-QHCPKHFHSA-N 422.437 3.932 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 587390083 NQBWUKXCPIOMQX-IVWLCAAKSA-N 415.534 3.804 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)cc2OC(=O)[C@@H]1c1ccccc1 587408732 NZVQFQYJCXJEPZ-URXFXBBRSA-N 401.418 3.846 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CCNC(=O)OC(C)(C)C)(CC(=O)OC)CC2=O 587469975 KBFAAHSHIBPFHS-JOCHJYFZSA-N 421.490 3.527 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 587829197 WJHGGODRCMOXEF-SEKDPYQVSA-N 424.310 3.798 0 1 HHAF CC(C)(C)Oc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587945424 LJEOPIWPJSTSAI-UHFFFAOYSA-N 402.451 3.830 0 1 HHAF CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962927542 WCJZITWKKNYSQB-CYFREDJKSA-N 415.578 3.787 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)nc2)(c2ccccn2)N1 963238727 WFPQROLYZKGSKS-AUSIDOKSSA-N 416.868 3.569 0 1 HHAF COc1ccc2ncc(S(=O)(=O)c3cc(C)cc(C)c3)c(N3CCOCC3)c2c1 1772637870 CFRFHQLWZWXUSF-UHFFFAOYSA-N 412.511 3.530 0 1 HHAF COc1ccc(CC2(CCCCCCC[C@@H](F)CF)C(=O)NC(=O)NC2=O)cc1 1911579472 FITYZYBFZVGBBP-MRXNPFEDSA-N 410.461 3.628 0 1 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@@H]3CCCC[C@@H]32)cc1 95564718 PJSRLBULLRQHBL-HBMCJLEFSA-N 415.511 3.649 0 3 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(Br)cnc2C1 68247208 IAZYRHMAKRXGHS-UHFFFAOYSA-N 408.605 3.974 0 1 HHAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)c2ccccc2)C1)N1CCCC1 72177519 PAACZALAKXZHET-AUSIDOKSSA-N 411.505 3.871 0 1 HHAF CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccccc2)C1=O 199205793 FZZPABBXALPWGS-DVECYGJZSA-N 412.530 3.569 0 3 HHAF C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C 45323972 YVSLPYQTEBIJSI-HRAATJIYSA-N 410.539 3.623 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cnc(N2CCN(c3ccncc3)CC2)c(Cl)c1 45202833 GXBHNSKENGQDNY-UHFFFAOYSA-N 411.868 3.848 0 1 HHAF COc1nc2cc(C)ccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 82158363 GRHIMNFJBMHXEQ-UHFFFAOYSA-N 405.502 3.918 0 1 HHAF O=S(=O)(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(F)cc1 45323212 ASYILWZPSJLZDM-OAHLLOKOSA-N 405.882 3.585 0 1 HHAF O=C(c1ccccc1)c1ccc(Oc2cc(NCCCN3CCCC3=O)ncn2)cc1 82067558 QVQCLNVVUOLQOQ-UHFFFAOYSA-N 416.481 3.924 0 1 HHAF Cc1cc(Oc2nccc(C)c2OC(F)F)ccc1-c1c(C)c(O)nc(=O)n1C 261137746 MLJZPFZPSUEOMD-UHFFFAOYSA-N 403.385 3.867 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(F)c(Br)c3[nH]2)cc1 586940687 BZXNQATWYQJICB-HJWRWDBZSA-N 424.295 3.863 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005205 CGAOXIVIAXUQGQ-UHFFFAOYSA-N 402.035 3.876 0 1 HHAF CN(C)/C=C/[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331600 BDQGABUZYHYSRU-BPLPCBICSA-N 405.429 3.651 0 1 HHAF O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587570629 OTAFDYDJIIHHBC-AUSIDOKSSA-N 420.348 3.749 0 1 HHAF Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587613228 NIYAXISUZRUSOE-FXAWDEMLSA-N 421.434 3.968 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587724470 IFYMQGRUNIOBON-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF CN1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587596552 RRAKOJGSMRUDBI-RCZVLFRGSA-N 416.477 3.847 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587725320 PPQDSMIWKKXPBR-HUTHGQBESA-N 416.287 3.754 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587203404 PAXHDKMNFZSBEX-NSHDSACASA-N 409.229 3.707 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)nccc2[nH]1 586956581 OQNOKLSPLDBVSU-UHFFFAOYSA-N 420.494 3.693 0 1 HHAF COc1cncc(N)c1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 587252727 KOUJIQGPPKHHMS-UHFFFAOYSA-N 403.158 3.877 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C(C)C)N(C)C)[nH]c3c2)cc1 587198524 IPQMJYLINNTDOV-IBGZPJMESA-N 402.520 3.631 0 1 HHAF Oc1ccc(OCc2ccccc2)n1-c1nn(-c2ncccn2)cc1Br 587941924 YGAFVDDVDXSQOD-UHFFFAOYSA-N 412.247 3.500 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCNC3=O)c2)N1 587765002 HZIYOCQXHXFVKP-ODXCJYRJSA-N 418.310 3.916 0 1 HHAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cn1 587239138 IKELNZQGVPVKAT-YDZGXFTCSA-N 402.495 3.522 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccnn2-c2ccc(F)cc2)N1 962638401 TWHVJRWGPJRVAP-KBXCAEBGSA-N 421.350 3.598 0 1 HHAF COc1ccc(O)cc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962920217 DIMYYKMOQSWTCV-XUZZJYLKSA-N 421.449 3.761 0 1 HHAF CCC[C@@H]1CCCc2c1nn(-c1ccc(F)cc1)c2/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 13833986 RUFXULFIYWUOIR-BFHYNNTLSA-N 416.493 3.831 0 1 HHAF COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 1783493 JGZGPLHLIOGETQ-SJORKVTESA-N 410.451 3.518 0 1 HHAF CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C 4904463 DVWXXJHSHNVODR-SFHVURJKSA-N 420.557 3.822 0 1 HHAF COc1ccc([C@@H]2[C@H](S(=O)(=O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27861146 GGGSSCSHLMDPKT-PKTZIBPZSA-N 421.518 3.809 0 1 HHAF CO/C=C(/C(=O)OC)c1cc(Cl)ccc1Cn1cc(-c2ccccc2C=O)nn1 28822339 QNCLFKARNLUUGG-CPNJWEJPSA-N 411.845 3.620 0 1 HHAF COc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2c1 114079136 LNJDBRCEILQTPH-UHFFFAOYSA-N 415.497 3.617 0 1 HHAF CN(c1ncc(C(F)(F)F)cn1)[C@@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118874905 MIHFCRASMBXREX-CYBMUJFWSA-N 422.382 3.668 0 1 HHAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356768186 NEDXVWRLYNVKRG-XJUOHMSHSA-N 420.557 3.768 0 1 HHAF COc1ccc(C(=O)N2CCC[C@@H](c3cc(C(=O)NCc4ccccc4)no3)C2)cc1 61908095 WZTCTTAGRDBZRQ-LJQANCHMSA-N 419.481 3.633 0 3 HHAF CCc1c(C)[nH]c2cc(OCCCOC(=O)[C@H](CC)C(C)=O)c(Cl)cc2c1=O 73225017 CPTBGOMQEPVPPU-OAHLLOKOSA-N 407.894 3.980 0 1 HHAF Cc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@@](O)(Cc1ccccc1)O2 14556229 YICIIZDXYKQWHP-RUZDIDTESA-N 414.413 3.980 0 1 HHAF biogenic Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 40933491 DDDNBNMFGXFRTM-VWLOTQADSA-N 417.509 3.590 0 1 HHAF COc1cc2nc(NCCCCCO)nc(NCc3cccs3)c2cc1OC 82119710 JZKGWPBZALAYBL-UHFFFAOYSA-N 402.520 3.895 0 1 HHAF O=C(CCCCCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO 147358212 JFVGWEKFOOWMDP-UHFFFAOYSA-N 408.549 3.720 0 1 HHAF CC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143279983 MKTHPCOYKSYQFS-NRFANRHFSA-N 419.399 3.669 0 1 HHAF CCCCNC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC 95583998 JWRWXNHLPMLNND-MRXNPFEDSA-N 401.459 3.576 0 1 HHAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO 95877521 NCWZNGWGZGUEMP-LJGDZFJRSA-N 413.521 3.692 0 1 HHAF O=C(CCc1nnc2sc(-c3ccccc3S)nn12)c1nc2ccccc2[nH]1 95590406 NLMPJQCPTACLLU-UHFFFAOYSA-N 406.496 3.833 0 1 HHAF O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(Cl)c1 95663784 IBOMDJXDECXQMM-GHTZIAJQSA-N 410.905 3.568 0 1 HHAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)n1ccc(C(=O)O)n1)C(=O)O 140970560 DQOBOCPZWNUNMH-BEFAXECRSA-N 421.453 3.528 0 1 HHAF O=C(c1cccc(F)c1)c1ccc(F)cc1/C=C/OCCN1CCC[C@H](C(=O)O)C1 96923629 IWCMUJAARSRKPV-MZEUMTGBSA-N 415.436 3.980 0 1 HHAF COC[C@H](Cc1ccccc1)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261170549 SWKYZUSBAKAONX-SFHVURJKSA-N 416.485 3.708 0 1 HHAF COc1ccc(-n2c(Sc3nnc(N)s3)nc3ccc(Cl)cc3c2=O)cc1 299829762 LDXUUTKZLVHWIT-UHFFFAOYSA-N 417.903 3.633 0 1 HHAF O=C(NCc1ccccc1-c1ccncc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1 299821857 GWLMKRYEIZPZKL-UHFFFAOYSA-N 415.428 3.793 0 1 HHAF O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3c(cccc3OCCF)C[C@@H]2O)CC1 473082447 HPFMDGHQRJOFBK-YADHBBJMSA-N 415.480 3.597 0 1 HHAF Cc1nnc([C@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1 653667587 ZKUAVPQZOHMLSJ-NSHDSACASA-N 409.519 3.508 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587532918 QEUMRMULNLPWEO-UZQPLGKSSA-N 404.528 3.984 0 1 HHAF Cc1ccc2c(ccc3nc([C@@H](CC(=O)O)NC(=O)OCc4ccccc4)[nH]c32)n1 587204240 WROLJSIUSITHHR-GOSISDBHSA-N 404.426 3.862 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3cc(Br)ccc31)O2 587372599 PZUALTYHMOCOHV-IBGZPJMESA-N 416.227 3.561 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587167798 FAFSVWQMNKPZIO-UHFFFAOYSA-N 405.433 3.933 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)nc2)N1 587771048 DWZOFVHHVQKUKM-ZUOKHONESA-N 420.326 3.618 0 1 HHAF O=C1C[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587516126 YGKIIDQNQAOJDL-RUZDIDTESA-N 407.510 3.727 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1)c1ccc(F)cc1 587172096 ZMDCXGQMQUNCSV-UHFFFAOYSA-N 403.826 3.565 0 1 HHAF COC(=O)C1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 587438809 RGEINTKYCUKTHV-XXBNENTESA-N 407.466 3.573 0 1 HHAF O=C(C[C@@]1(c2ccc(OC(F)F)cc2)NCCc2ccc(O)cc21)C(F)(F)F 963328172 DAUCLCCOBWDNRO-SFHVURJKSA-N 401.331 3.904 0 1 HHAF O=C(O)c1ccc2c(c1)[C@@]1(N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)c1ccccc1-2 963228264 OHIUDVYTQROKFJ-BVAGGSTKSA-N 422.440 3.804 0 1 HHAF Cc1nc(NC(C)C)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1 1772599814 MIFCTDCDIAKSQG-UHFFFAOYSA-N 411.535 3.704 0 1 HHAF CCNC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](O)C2)cc1 1772636600 IFJAYRAWBPCKOQ-BXKMTCNYSA-N 423.557 3.905 0 1 HHAF CN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 13143203 QHOFUTURFHYTTR-GKBBYZSKSA-N 410.473 3.825 0 1 HHAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CC[C@H](C)C3 206143058 LNJYGCAFEIECPH-VOJFVSQTSA-N 408.458 3.701 0 1 HHAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1ccccc1 164816208 MXDYQKWESTZSAS-UHFFFAOYSA-N 408.421 3.836 0 1 HHAF CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1 167806266 VNFSJGISGLUEGV-UHFFFAOYSA-N 414.465 3.846 0 1 HHAF CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 758448 ANJILMQNIAJUHC-JOCHJYFZSA-N 422.525 3.810 0 1 HHAF CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 777204 PAXXFSGTLLZQJP-BBRMVZONSA-N 404.507 3.793 0 1 HHAF CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 13472338 VWSPWOIXVVRAKZ-UHFFFAOYSA-N 402.418 3.706 0 1 HHAF Cc1cc2c(c(CCC(=O)O)c1C)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 28770230 QNMQRBGHXSMKCH-KRWDZBQOSA-N 421.946 3.810 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O[C@@H](C)CN(C)C)cc1 96932211 AYZGFAJCOVMXLA-VVHBXYOFSA-N 421.541 3.894 0 1 HHAF O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)c1ccco1 110757315 UTENLGCOJFODIH-LSDHHAIUSA-N 416.220 3.533 0 1 HHAF C=CC(=O)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 113765086 ZFHREWWRBHSDLZ-UHFFFAOYSA-N 414.469 3.512 0 1 HHAF CC1(C)OC(c2ccc(S(N)(=O)=O)c(Cl)c2)=C(c2cc(F)cc(F)c2)C1=O 138253788 IZMPQYNNFCONDJ-UHFFFAOYSA-N 413.829 3.512 0 1 HHAF Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cncnc12 148432945 DNSGJAORTMJTQH-UHFFFAOYSA-N 416.489 3.755 0 1 HHAF O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)N[C@@H](CCc2ccccc2)C1=O 169727264 BHLLOWUBZTXFOH-FCHUYYIVSA-N 404.510 3.989 0 1 HHAF CC(C)(C)OC(=O)N[C@H](Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)O 587104319 QBVJCLWCCOELBP-LJQANCHMSA-N 418.449 3.967 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(I)ccc1N)O2 587387487 SHLIVOAAVZWKGP-KRWDZBQOSA-N 408.239 3.645 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555790 MCEODCPROGYQTB-UTKZUKDTSA-N 400.381 3.865 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N1CCc3cccc2c31 587590984 TZUJCJAELNAOQQ-PXDATVDWSA-N 413.429 3.932 0 1 HHAF COC(=O)c1ccc(C=O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595794 TVVNLXQAIAQDSA-UGKGYDQZSA-N 404.374 3.694 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 587703195 FYRCRYKZPZRFBZ-XXFAHNHDSA-N 422.685 3.873 0 1 HHAF NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccc(O)c4[nH]c([C@@H]5C[C@H]6CC[C@H]5C6)nc14)(C3)C2 653682145 LPRBRUJYZCFLPE-XXJKFLIDSA-N 420.557 3.952 0 1 HHAF Cc1nc2c(C)cccn2c1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691319 CCQGWVULHSJMCR-HOTGVXAUSA-N 407.367 3.797 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)[C@@H](C(=O)C(F)(F)F)[C@@H]2CC[C@@]1(C)C2(C)C 962921594 HSTKVHCRFGIFCW-WUVXFVIISA-N 422.491 3.933 0 1 HHAF NCC[C@@]1(c2ccccc2N)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961639 VVANLEMYKKVBQC-NRFANRHFSA-N 405.464 3.531 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@@]12[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 963229541 NRNLJRLYOHPJQP-HJIDNGPHSA-N 417.546 3.566 0 1 HHAF COc1ccc(-c2cncc3nc(O)n(-c4cc(OC)c(OC)c(OC)c4)c23)cc1O 1857560643 DDBNCTCGKPGQAJ-UHFFFAOYSA-N 423.425 3.533 0 1 HHAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(Cl)[nH]1 1857591223 FEZCPYJVVDQSSH-INIZCTEOSA-N 417.897 3.681 0 1 HHAF CCn1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccc(C(N)=O)cc21 1857596998 BJFVZFLRBUSAGI-UHFFFAOYSA-N 407.420 3.718 0 1 HHAF CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C 2356307742 OTQUMHRUQDURIR-SCMKRIASSA-N 412.577 3.548 0 1 HHAF CC(=C[C@H](C)Cc1ccccc1)CCCCC[C@@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 2356397464 NLNJIEVMUWDLAZ-LTMIRXACSA-N 420.502 3.753 0 1 HHAF CC=C(C)C(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](OC(C)=O)[C@@H]3CC[C@H]4C(C)(C)[C@H]1C[C@]243 2356760087 WEMIALKTULZOFO-CQYIHHDXSA-N 404.503 3.755 0 1 HHAF COc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1 4237952 ZNJZNAWGWDSNSE-HSZRJFAPSA-N 411.477 3.995 0 1 HHAF COc1ccc(SCc2cc(O)n3nc(Cc4ccccc4)nc3n2)c(OC)c1 103236969 KNWAXJKZZCGOMR-UHFFFAOYSA-N 408.483 3.730 0 1 HHAF N=c1scc(-c2ccc(Cl)cc2)n1CC(=O)N1CCN(c2ccccc2)CC1 101703867 ISGVIWPJZIQAJO-UHFFFAOYSA-N 412.946 3.698 0 1 HHAF CCC/N=c1\c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(O)oc2ccccc12 103532238 PDLBPIJMBYTKOO-FXBPSFAMSA-N 422.890 3.912 0 1 HHAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 103539743 XBHFOGHTORAEMB-NRFANRHFSA-N 424.497 3.718 0 1 HHAF Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(CC(C)C)cc2)C1 28959533 CTIUWAMAQKFYBW-OAQYLSRUSA-N 404.551 3.885 0 1 HHAF COc1ccc(OCCNC(=O)[C@@]2(C)CCN2Cc2ccc(SC)cc2)cc1 61895450 AUDIFWHZKNICFG-JOCHJYFZSA-N 400.544 3.577 0 3 HHAF CCCN(CC1CC1)c1cc([C@](C)(O)c2c(OC)cc(OC)cc2OC)nc(C)n1 28365370 LTMCJNFBXNAUJF-QHCPKHFHSA-N 415.534 3.693 0 1 HHAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@H]2[C@@H]1OC(=O)C=Cc1ccc(O)cc1 2356559743 MJYKKLXXDFOCHW-IPPMDGRRSA-N 402.531 3.911 0 1 HHAF COc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc4ccccc4n3)CC2)c1 36351817 XRUJROLBTAAYPG-UHFFFAOYSA-N 405.498 3.646 0 1 HHAF COc1ccc([C@H](NC(=O)COc2cccc(C)c2C)P(=O)(OC)OC)cc1 73220178 GPQXUNMQCFAQNN-HXUWFJFHSA-N 407.403 3.992 0 1 HHAF O=C(NC[C@]1(O)CCCC(F)(F)CC1)c1cc(-c2ncc(F)cn2)ccc1Cl 49784303 ZOQUSKSMFRGDQE-SFHVURJKSA-N 413.827 3.996 0 1 HHAF Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)on1 226072238 HWWYHMHQPFNENG-IEZWGBDMSA-N 422.460 3.960 0 1 HHAF Cc1cccc(OC[C@H]2CN(c3ccc(N4Cc5cccnc5C4)c(F)c3)C(=O)O2)n1 40567292 QMXQZXLKOGTLAP-GOSISDBHSA-N 420.444 3.849 0 1 HHAF COc1cc(OC)cc(N(C[C@H]2CO2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 222881591 UHXFZAJAHLALQP-FQEVSTJZSA-N 417.469 3.584 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cn1 141305026 ACZAFEQDAPBKEG-UXHICEINSA-N 407.470 3.657 0 1 HHAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nc5cc(Cl)ccc5[nH]4)nc3n2C1 148456595 PNSOZKZGPSQHSN-UHFFFAOYSA-N 422.876 3.588 0 1 HHAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCCNCC3)CC2)c1 618009631 GFNZCRINOWXYAZ-UHFFFAOYSA-N 417.601 3.689 0 1 HHAF CCCCNC(=O)Oc1ccc2nc3n(c(=O)c2c1)CCCN3Cc1ccccc1 299829254 LDFJRXXEDFLKIV-UHFFFAOYSA-N 406.486 3.695 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029055 GBRHIHYEJDCDIQ-UHFFFAOYSA-N 414.512 3.516 0 1 HHAF C=C1NC(C)=Cn2nc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587586523 KLMWZFSZSIFAPZ-REWPJTCUSA-N 401.422 3.858 0 1 HHAF COc1cccc(C(=O)c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)c1 587932082 LCYVYKKGDIRBIX-UHFFFAOYSA-N 409.243 3.974 0 1 HHAF O=S(=O)(c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1)C(F)(F)F 587177899 FNYFKUPGULMDFN-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF O=C(CCc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F)OCc1ccccc1 587368146 JATBUSHTUINDNM-UHFFFAOYSA-N 419.412 3.918 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc3nc(O)oc3c2)N1 963202403 ZHKROHXFNQJSEO-IAQYHMDHSA-N 412.751 3.894 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCCC[C@H]1N(C)C)N(C(=O)c1ccccc1N)CC2 963161587 UKAJYBWYHCZZOF-PXDATVDWSA-N 423.557 3.684 0 1 HHAF COc1cccc([C@@]2(c3ccccc3F)NC[C@H]3CC(=O)N(C)c4cccc2c43)n1 963023647 KJAUIXWTUJMIGS-MYYSRTQBSA-N 403.457 3.575 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)N4CCCCC4)CC3)c2)c1 1772654827 XPDRNYPDWRORIX-UHFFFAOYSA-N 420.557 3.867 0 1 HHAF CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1 13444720 CHEGJFNZXABNBU-UHFFFAOYSA-N 410.514 3.769 0 1 HHAF COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)[C@H]1CCCO1)C2 14967790 LKDKEUBUFAIGLH-LJQANCHMSA-N 417.889 3.924 0 1 HHAF CC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21 150023390 ZASBBKUNPZHFEQ-UHFFFAOYSA-N 411.462 3.528 0 1 HHAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 169300078 PMJIUNUHZLTRMR-LXDRIQHSSA-N 401.507 3.641 0 1 HHAF CN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)[C@H]1COc2ccccc2C1 1857580982 MHOIPADYLYCBEO-OAQYLSRUSA-N 417.509 3.879 0 1 HHAF O=C(c1c(O)cc(O)cc1Nc1ccnn1-c1ccccc1)N1Cc2cccnc2C1 1857617239 HEWQWOFCCSBGPW-UHFFFAOYSA-N 413.437 3.578 0 1 HHAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)o1 3788968 LJGONHLWDITULH-LJQANCHMSA-N 423.494 3.751 0 1 HHAF O=C1Nc2ccccc2CN1CCC1CCN(C[C@H]2COc3ccccc3O2)CC1 12356381 GJYKVQRJNCOILI-FQEVSTJZSA-N 407.514 3.976 0 1 HHAF COc1ccc(-c2nc(C(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1 13735849 AIKFWLIZUYBZCQ-UHFFFAOYSA-N 410.495 3.967 0 1 HHAF Cc1ccc(C)c(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)nc(N)nc32)c1 40897358 LBHCREJBLYEXOL-UHFFFAOYSA-N 401.879 3.527 0 1 HHAF Cc1nc2c3c(c(C(=O)N4CC(F)C4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 40934250 HPIDOASGBQYGCE-DEOSSOPVSA-N 405.473 3.912 0 1 HHAF COCC(COC)N[C@H]1NC(C)=Nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 49070825 ZKZULFXLHWYLCP-GOSISDBHSA-N 412.321 3.526 0 1 HHAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCc3ccccn3)C(C)C)co2)cc1 82070316 ASVLUNUMJKXMKX-FQEVSTJZSA-N 407.470 3.585 0 1 HHAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82136364 AVMJOUGYHCUWAO-IYBDPMFKSA-N 400.498 3.531 0 1 HHAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(F)cc3F)cc21 95558778 OJTNVFFSKVKMQG-INIZCTEOSA-N 417.408 3.794 0 1 HHAF CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(C)cc21 96284784 QQGKEHCROAPVMW-PYCFMQQDSA-N 420.557 3.902 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ncccc45)ccc31)[C@@H]1CC[C@@H](C2)N1 100632919 LEVDXNRRALAJPG-LIRRHRJNSA-N 403.507 3.909 0 1 HHAF CCn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)c1=O 169729171 MFYKHKJFZNUPOO-UHFFFAOYSA-N 410.493 3.611 0 1 HHAF CCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195282941 PKRSCLWRYRXOGB-AXARJBFVSA-N 423.553 3.699 0 1 HHAF COc1cc2cc(-c3cc4cc(OC)c(OC)cc4oc3=O)c(=O)oc2cc1OC 238732089 VJONVKCCHOWVJX-UHFFFAOYSA-N 410.378 3.601 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C 253635788 SZDSCLOAPYDVBU-WUEDAAKTSA-N 402.579 3.513 0 1 HHAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1F 261128624 KRYUSOZLPYCSEV-BPLDGKMQSA-N 407.507 3.740 0 1 HHAF O=C1CCc2cc(/C=C/C(=O)N3CC(COc4ccc5ccccc5c4)C3)cnc2N1 299834439 XYBAETFVONTPLC-BJMVGYQFSA-N 413.477 3.670 0 1 HHAF COc1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586945746 KYWMEQDOVCAXIA-UHFFFAOYSA-N 405.526 3.840 0 1 HHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 587038216 FATIZLUEGQPKBU-UHFFFAOYSA-N 421.792 3.891 0 1 HHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(I)c2[nH]1 587052361 PSWHXSQYSYUUSA-LLVKDONJSA-N 413.646 3.769 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)nc2)N1 587687249 YNAJILKUAABWSL-WPPNPWJKSA-N 401.077 3.764 0 1 HHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587784848 KAYSJUVGNVNLCJ-ZIAGYGMSSA-N 424.400 3.800 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 587839599 HTEIBYSMDFXIKE-BTDLBPIBSA-N 413.312 3.583 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2c[nH]nc2N)N1 587851193 HMPZJYNMHQGJGY-XYZCENFISA-N 407.312 3.781 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCc2nncn2C1 587859684 KSBOSFVUIWCJAF-LLVKDONJSA-N 406.273 3.750 0 1 HHAF COc1ccc([C@@]2(OCC(F)(F)F)Sc3ccccc3-n3c2noc3=O)cc1 653903296 AWBSGIHJNCVFLA-GOSISDBHSA-N 410.373 3.720 0 1 HHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(OC)c(OCC(N)=O)cc2Cl)N1 962959792 QQWSWBPRCPTMHR-YTEVENLXSA-N 413.905 3.708 0 1 HHAF CC[C@@]1(c2ccc(C)[n+]([O-])c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963743 WZPGCWFJEYIGPB-NRFANRHFSA-N 406.448 3.952 0 1 HHAF Cc1ccc(CNC(=O)[C@@H]2Cn3c(cc4ccccc43)C(=O)N2Cc2ccccc2)o1 1772600297 XFLBUOSUVFFSII-QHCPKHFHSA-N 413.477 3.884 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@H]2C[C@@H]1CN2 1772618775 YKGJRLADRAPYEL-HUUCEWRRSA-N 414.387 3.627 0 1 HHAF COC(=O)C1(C[C@@H]2CC(c3ccccc3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 12726229 UMGXUTJVVGTKQD-KRWDZBQOSA-N 402.491 3.760 0 3 HHAF Cc1ccccc1-c1cc(C(=O)NCC2CC2)n(C[C@@H]2CC(c3cccnc3)=NO2)n1 36387841 MXXPBHVWTCAZMV-IBGZPJMESA-N 415.497 3.587 0 3 HHAF CC(C)c1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 61904342 VJMCGXIIHXGEHX-OAQYLSRUSA-N 401.466 3.913 0 3 HHAF CN(C)C(=O)c1cccc(-c2cnc3sc(NCc4ccc5c(c4)OCO5)nn23)c1 61925931 SYUGUGXKGBKAPY-UHFFFAOYSA-N 421.482 3.500 0 3 HHAF CCc1nn([C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc3occc3n12 5149705 FEPPZNNNSHTLLB-HZPDHXFCSA-N 406.486 3.503 0 1 HHAF CCCOC(=O)N(CC(=O)O)C(=O)c1cccc2c(C(F)(F)F)c(OC)ccc12 26501121 SRMSGNRRMAOJBX-UHFFFAOYSA-N 413.348 3.941 0 1 HHAF O=C(O)CCNC(=O)[C@@H](CCc1ccccc1)C[C@H](CCc1ccccc1)C(=O)O 26571090 CSNTXZULZKKKHM-SFTDATJTSA-N 411.498 3.550 0 1 HHAF O=C1c2ccccc2S(=O)(=O)N1CCCCN1CC[C@H](c2ccc(Cl)cc2)C1 28770171 IATFGLZNNVFTIY-KRWDZBQOSA-N 418.946 3.754 0 1 HHAF COC(=O)[C@@H]1CN(C(=O)OC(C)C)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 29568729 TVEMHHMOFUAKMT-ZWKOTPCHSA-N 405.491 3.750 0 1 HHAF COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(SC)c1OC 40405098 VTRGCHNNWCTNQY-GOSISDBHSA-N 413.451 3.523 0 1 HHAF CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2[C@@H](O)C[C@@]1(C)O 40973894 NMCFENXKFAREEU-FTZSKZMTSA-N 420.590 3.912 0 1 HHAF Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(O)cc2)cc1 45389287 DSDRYQFIXFFRBS-FQEVSTJZSA-N 409.507 3.895 0 1 HHAF C[C@@H]1CC[C@H](N2CC[C@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 73219248 XXRJWFOMOOANJW-ZTEVPRNISA-N 414.553 3.912 0 1 HHAF C[C@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 73310771 XMDKANBJGSNOCW-KRWDZBQOSA-N 413.282 3.725 0 1 HHAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCc4ccccn4)C3)co2)cc1 82069620 WPZZLHOXRHMVSE-IBGZPJMESA-N 419.481 3.683 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCOCCCC 82210831 QMRXDJZAWQBKNQ-SDEGTPQDSA-N 422.610 3.842 0 1 HHAF COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1 96929495 JKWRGSOYBLOWMU-UHFFFAOYSA-N 408.498 3.783 0 1 HHAF O=C(COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc(F)cc1 101216033 LQCKGNBDIKFRTN-KLNNNFBISA-N 417.436 3.645 0 1 HHAF C[C@](O)(COc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 136045162 BZACFRRVAVMGJC-KRWDZBQOSA-N 400.303 3.624 0 1 HHAF Cc1cccc(-c2cc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)on2)c1 147720774 XGTBTYPCMLTXPJ-UHFFFAOYSA-N 400.438 3.991 0 1 HHAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@H](O)c3ccc(O)cc3)CC2)cc1 169327185 LPWKWKIQIQVZNN-IZZNHLLZSA-N 418.537 3.993 0 1 HHAF COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694962 FOVHZEYFEFEMLU-IAGOWNOFSA-N 412.511 3.701 0 1 HHAF Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4ccc(C5CC5)nc4)ccc23)cn1 221620801 JWRVZDCQNNKRSK-UHFFFAOYSA-N 401.445 3.737 0 1 HHAF NCCOc1ccc(/C(=C(\Cn2cnnc2)c2ccccc2)c2ccc(O)cc2)cc1 299867517 YDYQORQPBJHCOL-OCOZRVBESA-N 412.493 3.981 0 1 HHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3 587166906 DKCMFCUIRPLIAH-UHFFFAOYSA-N 417.443 3.960 0 1 HHAF CCOC(=O)[C@]1(c2cccc(Br)c2F)CC(=O)c2cc(C)cc(N)c2O1 587384181 BOLNXZKOJHSFOE-LJQANCHMSA-N 422.250 3.903 0 1 HHAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591331 VIHKXWDDCUSQBQ-FDDCHVKYSA-N 405.406 3.920 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(Cl)nc2[nH]cnc12 587655996 SBXCPLMENJQDEF-UHFFFAOYSA-N 410.771 3.651 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 587747351 PYCDGFPHTPVKQQ-WYRIXSBYSA-N 407.283 3.813 0 1 HHAF Cc1ccc([C@]2([C@H]3CCC[C@@H](C(=O)O)C3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962905375 PMKYVLFMFJGWBJ-ZUKNVOLKSA-N 411.473 3.868 0 1 HHAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccc(F)cc5)cc4)c12)CCC3 1857545168 LOPDRSUXQSVINJ-UHFFFAOYSA-N 401.445 3.642 0 1 HHAF CCCC[C@](C)(OC)[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC 2356342764 GGDWDKDPRJFMHD-YJPCQTTLSA-N 412.567 3.579 0 1 HHAF CCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378516 ZQTHGYMNHLBFPQ-FQEVSTJZSA-N 412.559 3.895 0 3 HHAF Cc1ccc(F)cc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCCC3)nn2)c1C 8605491 QSCCDKZWELNNFC-UHFFFAOYSA-N 422.508 3.898 0 1 HHAF COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)c(Cl)c2)c1 103296574 DJPLRGPPZDRREQ-KRWDZBQOSA-N 405.882 3.919 0 1 HHAF Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3)n2)c2cc(F)ccc2n1CC(=O)O 117017038 FUFRURSHUGZLGV-UHFFFAOYSA-N 423.419 3.508 0 1 HHAF O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1cccc2cccnc12 28228091 GPPLBODEAKUTIR-PFOXWKGBSA-N 400.500 3.803 0 1 HHAF COc1cc(NC(=O)Nc2cccc3c2[C@H]2CC(=O)CCN2C3=O)nc2ccccc12 116928226 HTDWSSOOFGKSSQ-GOSISDBHSA-N 416.437 3.747 0 1 HHAF COc1cccc(NC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 45190834 FYFXSOCJUSINOF-SFHVURJKSA-N 422.464 3.768 0 1 HHAF O=C1OC2(CCN(C(=O)Nc3nsc(-c4ccccc4)n3)CC2)c2ccccc21 40973234 HBTPBWKAVPMXQK-UHFFFAOYSA-N 406.467 3.899 0 1 HHAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCc4ccccn4)C3)co2)cc1 82069621 WPZZLHOXRHMVSE-LJQANCHMSA-N 419.481 3.683 0 1 HHAF Cn1c(CN2C[C@@H]3C(COc4ccc(C(F)(F)F)cn4)[C@@H]3C2)nc2ccccc21 40918543 DTMCLRWXKBKQIR-XYPWUTKMSA-N 402.420 3.744 0 1 HHAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@@H]1c1ccc(Cl)cc1 49785529 XBFAFSAUQFDEOK-HZPDHXFCSA-N 402.281 3.777 0 1 HHAF CC(C)(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 143277542 VLTNCZFXYSZMMZ-OAQYLSRUSA-N 418.415 3.548 0 1 HHAF Cc1cc(C)nc(OCCCn2c3c(c4cc(S(C)(=O)=O)ccc42)CCCC3)n1 95580384 KXXPUAQHPRBNNR-UHFFFAOYSA-N 413.543 3.800 0 1 HHAF CC(=O)N1CCC(c2cccnc2OC2CCN(c3cccc(Cl)n3)CC2)CC1 96169047 FZDQITDBYMZABL-UHFFFAOYSA-N 414.937 3.904 0 1 HHAF O=C(O)CCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144883662 SAACRTSPFCAMHP-LJQANCHMSA-N 406.335 3.943 0 1 HHAF COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccc(C)nc4)cc3)CC2)c1 473112901 GPBIUFSBAGPHFC-UHFFFAOYSA-N 415.493 3.664 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587440300 YAWBVKUPLVBECO-ICPLQIHGSA-N 407.466 3.860 0 1 HHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(Br)cc1 587648749 HFVFJMYQBMAYAN-UHFFFAOYSA-N 407.289 3.895 0 1 HHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1sc(NC)nc1N)CC2=O 587495740 SIBOIYNRFSREDQ-JOCHJYFZSA-N 409.511 4.334 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 587752054 BKQSVDRFYZGHGD-ODXCJYRJSA-N 415.310 3.730 0 1 HHAF O=C1C[C@@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 587002447 FVAPJKFOFSLIDM-MRVPVSSYSA-N 419.206 3.798 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 587414620 WNAOLFAUGDXXNO-ZJSXRUAMSA-N 417.417 3.552 0 1 HHAF Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587513498 ARTQNXCDWYDVMG-VWLOTQADSA-N 415.493 3.714 0 1 HHAF CNc1nc(N)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536751 ZSZCDMWQBRSJGQ-HSZRJFAPSA-N 405.523 4.555 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)c(F)cc3[nH]2)cc1 586940963 LKRAITOQWOYZJR-VOTSOKGWSA-N 424.295 3.863 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@@H](C)C2 962572346 JUVLMNMVPLYRBR-LMKMVOKYSA-N 422.525 3.819 0 1 HHAF CCOc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc2c1 962577966 ZLYJKSBTURXDRL-LFVRLGFBSA-N 408.498 3.910 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@H](c3cc(CNC(=O)OC(C)(C)C)cs3)c3cccc1c32 963023643 KHYJGLAGTIWNOX-VLIAUNLRSA-N 413.543 3.916 0 1 HHAF COc1ccccc1[C@]1(c2nnc(C)o2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962572749 QGWQSYWCBGSQSD-LFVRLGFBSA-N 409.486 3.572 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCC[C@H]3CCCCN3)c2cn1)c1ccccc1 1772607301 XUFLMNWCKCZLIO-NVXWUHKLSA-N 408.506 3.752 0 1 HHAF COc1cc(C(=O)NCCN(C)C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 13581708 RYEXAANYBDUCSP-UHFFFAOYSA-N 409.461 3.980 0 1 HHAF CC(=O)c1ccnc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1 1857573198 NPRTZEHFVACFNC-UHFFFAOYSA-N 414.469 3.580 0 1 HHAF CCCC(=O)/N=c1\c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3 1857608363 CHUPVYGJLRITLJ-WCWDXBQESA-N 404.422 3.549 0 1 HHAF O=S1(=O)CCc2ccccc2N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 148436579 FFRBXZSYPGWCDB-SFHVURJKSA-N 406.507 3.548 0 1 HHAF Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1cc(Cl)ncn1 28370256 UURBRQUGNHSRTR-UHFFFAOYSA-N 424.892 3.666 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@@H](O)C2 100043694 TVMYQBSAKPQDBA-ZCVJKFOLSA-N 417.615 3.874 0 1 HHAF C[C@@H]1CC[C@H](Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1 118564597 NBHKKDNCENFLJU-MSOLQXFVSA-N 413.481 3.888 0 1 HHAF Cc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2cc(F)ccc12 28951861 FYIMLVPQPYFUSZ-ZUOKHONESA-N 401.392 3.503 0 1 HHAF CCCCCOc1cccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)c1 28004037 NKRNGXYZEZTQOE-SFHVURJKSA-N 409.446 3.534 0 1 HHAF CC(C)CCCCCCCC[C@]1(O)C=C[C@@H]2N(CCCCNC(=N)N)CCCN21 2356834686 KDUUTAXPCABVAX-GGAORHGYSA-N 407.647 3.619 0 1 HHAF CC1(C)CN(Cc2cccnc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 61923186 GEMYMCYBBZHXRV-QGZVFWFLSA-N 416.319 3.858 0 3 HHAF CC(C)N1CCN(C(=O)c2ccc([C@@H]3CC[C@@H](C(=O)O)c4ccccc43)cc2)CC1 38192509 QIFKQEXMAAANPV-NZQKXSOJSA-N 406.526 3.947 0 1 HHAF CC(C)c1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2cncnc2)n1C 38157787 JDLHWKCJCULUHF-UHFFFAOYSA-N 420.395 3.752 0 1 HHAF CCn1nc2c(c1C)OC1(CCN(C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC1)CC2=O 73311336 DXOPPMVNXZZJRP-UHFFFAOYSA-N 420.513 3.950 0 1 HHAF CC1(C)Cn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)CN1C(=O)CN 84687768 OPUVWTJXQNMLQS-UHFFFAOYSA-N 411.456 3.651 0 1 HHAF O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1 198913397 LBUBRDATONAYBC-UHFFFAOYSA-N 417.487 3.781 0 1 HHAF CCCCCCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 84619030 PWTLVHHVUNQJME-UHFFFAOYSA-N 420.565 3.874 0 1 HHAF Cc1cc(C(=O)c2c(Cl)ccc([C@H](N[C@H](C)CC(N)=O)C3CC3)c2F)ccc1N 221363289 UJIUWNUYBSRUNT-XUSGNXJCSA-N 417.912 3.905 0 1 HHAF CC(C)CN(Cc1cnc2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 148821694 MBHHYDCDBKSJGU-JOCHJYFZSA-N 423.557 3.750 0 1 HHAF COc1ccc(CNC[C@H](O)COc2ccc3c(c2)OC2(CCCC2)CC3=O)cc1 95587651 ICOVEVIVMGBDNH-SFHVURJKSA-N 411.498 3.503 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(C)c1 653859647 GOJWUEVLALHJIV-UHFFFAOYSA-N 400.862 3.876 0 1 HHAF CCOC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587770030 HPYZZJYOJJUESQ-WYRIXSBYSA-N 407.283 3.958 0 1 HHAF Cc1csc([C@](O)(Cc2nc3cc(Br)c(C)nc3[nH]2)C(F)(F)F)n1 587094862 VACKJZJJMYVCHC-CYBMUJFWSA-N 421.242 3.786 0 1 HHAF C[C@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578881 BRVWXVABUWVNJN-ZJSXRUAMSA-N 413.433 3.909 0 1 HHAF CCCn1cnc2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc(Br)c21 587004729 ZKXQSQMQBWZCCH-UHFFFAOYSA-N 406.675 3.560 0 1 HHAF COC(=O)[C@H]1c2ccc(OC)nc2CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525529 MTAVZXQJEJGYPZ-QPPBQGQZSA-N 407.466 3.576 0 1 HHAF COc1cc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2cc1Cl 587224684 PSYPQGGZDUIZPN-UHFFFAOYSA-N 403.866 3.804 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1nc3ccccc3n1C)CC2=O 587475267 KVHGANNWHLDGKV-QHCPKHFHSA-N 408.454 3.655 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)nc2)N1 587687246 YNAJILKUAABWSL-FUXBKTLASA-N 401.077 3.764 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2cc(F)cc(F)c2[nH]1 587178866 NKMQFGMUFVFMCO-UHFFFAOYSA-N 401.154 3.704 0 1 HHAF COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587347765 MQDYITLDJCGMAQ-OFNKIYASSA-N 405.381 3.746 0 1 HHAF O=C1C[C@@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)Oc2c1ccc1c2CCCC1 587532257 PAUKWEZSPUJQNJ-QFIPXVFZSA-N 411.523 3.507 0 1 HHAF C[C@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611145 FNHLUDHCEWBICM-XMSQKQJNSA-N 406.463 3.925 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(O)c2[nH]1 586956441 KKSPBVQMJASKBA-UHFFFAOYSA-N 421.478 3.696 0 1 HHAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cncc(F)c2)N1C(=O)c1ccccc1 963415338 LUTZXZNVSQKPFZ-UNMCSNQZSA-N 415.424 3.943 0 1 HHAF CCC(CC)[C@]1(c2c[nH]c(C(=O)NCc3ccncc3)c2)NCCc2c(C)ccnc21 963069336 MBXOIOAJYSTYKI-RUZDIDTESA-N 417.557 3.869 0 1 HHAF CC[C@@]1(CC(C)=O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963447622 LRFAZJAALIYPDD-GBXCKJPGSA-N 404.466 3.904 0 1 HHAF COc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1 1772592415 QKOIGHMQPMERGR-UHFFFAOYSA-N 401.418 3.753 0 1 HHAF CCc1cccc(N(CC)C(=O)C2=CCC[C@@H]2C(=O)NCc2ccc(C(=N)N)cc2)c1 13493928 LFWSICFYUTVJQG-NRFANRHFSA-N 418.541 3.539 0 1 HHAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1F 15077588 KGZRFGOPCJONER-FQEVSTJZSA-N 421.472 3.814 0 3 HHAF COC[C@H](CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)O)c(C)c12 169708389 TXSBYAPEHRPICO-NSHDSACASA-N 409.414 3.944 0 1 HHAF CN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(Cl)ccc32)c2ccccc21 206045488 KJYWTMQSMSQPTF-XUZZJYLKSA-N 418.880 3.835 0 3 HHAF Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2n1C/C(F)=C/CN 1857571157 FFWWSSGIANHKJO-BOPFTXTBSA-N 401.507 3.679 0 1 HHAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 1857638493 MFXVNPUAZXWGLT-UHFFFAOYSA-N 419.456 3.679 0 1 HHAF CCOC(=O)N(CC(=O)O)C(=O)c1c(F)ccc2c(C(F)(F)F)c(OC)ccc12 1546825 LHFZIVWIZHYCPC-UHFFFAOYSA-N 417.311 3.690 0 1 HHAF COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCCN[C@@H]3[C@H]2C1 2356362393 FPUGEZQMCZNKFY-NZNXZMDWSA-N 423.509 3.877 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 3817190 SIIDHHZTVIEQJK-UHFFFAOYSA-N 407.514 3.774 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823545 KNADVTKHMNYCNZ-BGYRXZFFSA-N 416.525 3.854 0 1 HHAF COc1cc(OC)cc(Oc2ncccc2-c2n[nH]c(N(C)c3ccncc3)n2)c1 28564124 BXEYKLNDRLDKES-UHFFFAOYSA-N 404.430 3.839 0 1 HHAF Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3cccc(Cl)c3)cc12 28364418 XATHAUQRRJJDNP-UHFFFAOYSA-N 424.932 3.966 0 1 HHAF Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1 118081472 NSBGTBRFTPITDV-FDDCHVKYSA-N 406.461 3.911 0 1 HHAF CCN1CCN(CCCOc2ccc3c(c2)CN(C)C[C@H]3c2ccc(OC)cc2)CC1 28818109 CCXHRSBOCZSERO-SANMLTNESA-N 423.601 3.679 0 1 HHAF CCCCCOc1cccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)c1 28004043 NKRNGXYZEZTQOE-GOSISDBHSA-N 409.446 3.534 0 1 HHAF CC(C)N1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O 72125098 DYKRHEJETZMCMN-UHFFFAOYSA-N 406.530 3.907 0 1 HHAF O=c1cc(N2CCOCC2)nc2n(Cc3cccc4ccccc34)c3ccccc3n12 73294567 SNCCTCHDKTWTRJ-UHFFFAOYSA-N 410.477 3.687 0 1 HHAF CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc(Cl)ccc32)CC1 73161112 LDTUHBBEUPFGII-UHFFFAOYSA-N 402.951 3.611 0 1 HHAF COc1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)c1 49073027 BTMSSTDYCCYGBT-OAQYLSRUSA-N 405.450 3.640 0 1 HHAF CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(O)cc2)cs1 82195037 HIBPBNKSWAXFSF-ZTNFWEORSA-N 417.575 3.788 0 1 HHAF COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142433001 MWBVINUYAQUKCO-QLJPJBMISA-N 400.233 3.930 0 1 HHAF O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95878767 FVYMDQNVOKPIEP-FSPWUOQZSA-N 405.267 3.578 0 1 HHAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(C(F)(F)F)cn4)[C@@H]3C2)nc2ccccc21 261092652 DTMCLRWXKBKQIR-MUJYYYPQSA-N 402.420 3.744 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F 261176990 VCBZWMZGQBBCTE-UHFFFAOYSA-N 415.914 3.620 0 1 HHAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587936930 NCRKCQMZLMBPFC-QFYYESIMSA-N 414.405 3.702 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 587762280 SBJZIVXTQJOZFR-ADLMAVQZSA-N 417.278 3.850 0 1 HHAF COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721660 PYDILJSJZVAQMN-HUTHGQBESA-N 406.242 3.926 0 1 HHAF CCOC(=O)c1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1C 587655962 FDAWYRAJBLQQPU-UHFFFAOYSA-N 422.391 3.606 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587438264 OCVUKPYGJZTFJR-GZWGPKMKSA-N 403.475 3.573 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)/C=C\C(=O)O)cc1)CC2=O 587469060 HHDPLOINDSJRIP-DGVDTQEHSA-N 409.438 3.805 0 1 HHAF CCOC(=O)[C@H](CC)[C@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587788858 ARBARLHZIISYSJ-YNKQFZHNSA-N 402.304 3.553 0 1 HHAF CC(C)(C)c1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586945685 ADKIQFAIOZRWFE-MRXNPFEDSA-N 413.543 3.985 0 1 HHAF COC(=O)c1cccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1Br 963613212 UOLAYTXZGUBHHT-WYRIXSBYSA-N 420.303 3.877 0 1 HHAF CN(C)CCCOc1ccccc1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962768331 REBDLFKCGXVRTB-AZUAARDMSA-N 406.448 3.752 0 1 HHAF COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1 13473894 FABDEVCIFFZYAX-NRFANRHFSA-N 413.518 3.564 0 1 HHAF COc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 13673213 IQNDRUCHCWJNAN-UHFFFAOYSA-N 408.454 3.607 0 1 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCc2ccccc2N)cc1 770215 GTFBYEYHKPPQFX-RBBKRZOGSA-N 420.538 3.805 0 1 HHAF COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCCN1C2=O 4563920 BDHSIKYMFCDMOB-PXNSSMCTSA-N 416.424 3.713 0 1 HHAF CCC(=O)N1CCc2cc(S(=O)(=O)N3c4ccc(F)cc4CC[C@H]3C)ccc21 4969160 PRGABVSPTCIEED-CQSZACIVSA-N 402.491 3.655 0 1 HHAF CCCCCNC(=O)[C@@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8471834 FQZAFHLKDGVMKO-DVECYGJZSA-N 424.545 3.534 0 1 HHAF biogenic CCOC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)CC1 9286729 LNPROGBUSHQWRZ-UHFFFAOYSA-N 404.532 3.558 0 1 HHAF COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O2 14829674 JFEGOSMNEXLZRW-UHFFFAOYSA-N 406.774 3.600 0 1 HHAF biogenic COC(=O)c1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1ccccc1)O2 26182240 WELGSLXSPOEPNA-OAQYLSRUSA-N 409.463 3.994 0 1 HHAF CNC(=O)C(C)(C)COc1ccc2cc([C@@H]([C@H](C)N(C)C)n3ccnc3)ccc2c1 28137091 LEDOEMLBTIQWQV-HTAPYJJXSA-N 408.546 3.727 0 1 HHAF CCc1c(C(=O)c2ccc(OC)cc2)c2cccc3c2n1[C@@H](CN1CCOCC1)CO3 28763910 LLKHKKNDGMIASF-SFHVURJKSA-N 420.509 3.709 0 1 HHAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncnc2[nH]cnc12 29415817 YFFKPCOUGFXSEF-UHFFFAOYSA-N 411.473 3.617 0 1 HHAF CCCCCCOc1cc(NC(=O)Cc2cccnc2)ccc1N(C)S(C)(=O)=O 45286467 QIRZNJRWEVSNPA-UHFFFAOYSA-N 419.547 3.618 0 1 HHAF CN(C)c1cccc(S(=O)(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1 45364111 IYYKINFHMHJEHN-UHFFFAOYSA-N 424.482 3.515 0 1 HHAF C[C@@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(C(=O)OC2(C)CC2)CC1 66073965 LMTLIYJZXZJSGM-ZDUSSCGKSA-N 412.452 3.800 0 1 HHAF Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3cc[nH]c3)c(C)c12 72140997 ATTJXGXDMCNRCB-UHFFFAOYSA-N 414.469 3.541 0 1 HHAF CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82069098 JQXFOJJJVWBRAL-HXUWFJFHSA-N 405.498 3.907 0 1 HHAF CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3[nH]c(=O)oc3c2)CC1 95665435 ZZAUOFGQYHOMJV-UHFFFAOYSA-N 424.497 3.736 0 1 HHAF C[C@@]1(c2cc(Br)cc(NC(=O)c3ccccn3)c2)CCSC(N)=N1 96174372 VUGVQXNXILELRB-KRWDZBQOSA-N 405.321 3.763 0 1 HHAF O=S1(=O)CCC2=C1[C@H](c1ccc(F)c(Br)c1)C=C(C(F)(F)F)N2 100037654 SPZKPRNKTQYECV-QMMMGPOBSA-N 412.202 3.751 0 1 HHAF CCCCNC(=S)N1CCC(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)CC1 103277411 XGPNXJBUMYOIMO-KRWDZBQOSA-N 404.576 3.836 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2[C@@H](C1)CN2c1nc(C)cc(C)n1 116824380 HDDZEXAXEGCJCU-AZUAARDMSA-N 402.498 3.606 0 1 HHAF N=C1ON=C(N)[C@@H]1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 137854152 KMUPFVBEIFIZQB-ZBFHGGJFSA-N 404.253 3.961 0 1 HHAF N[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1 169215559 DRSGGAHSPDXOOW-LBPRGKRZSA-N 415.469 3.663 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2 215356175 ZOGKFZFUSNPOTE-JTHBVZDNSA-N 406.434 3.656 0 1 HHAF CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCC(F)(F)CC1 225202556 FHQNARYZKFZQPU-UHFFFAOYSA-N 419.465 3.987 0 1 HHAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1OC)[C@@H]23 299837342 QJYXEOZZAMEAPN-CTVDGRRTSA-N 400.563 3.713 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089430 RDSKKMIZPGPUCW-UHFFFAOYSA-N 403.357 3.729 0 1 HHAF CC(C)OC(=O)C1(c2nc3c(Br)cnc(Cl)c3[nH]2)CC(F)(F)C1 587130405 JOJJFADWMOINNM-UHFFFAOYSA-N 408.630 3.992 0 1 HHAF CN(C)CCOc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587162997 YWBUOHIODNAAKL-UHFFFAOYSA-N 414.872 3.603 0 1 HHAF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587347759 MQDYITLDJCGMAQ-NFBKMPQASA-N 405.381 3.746 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)ccc1N)O2 587387488 SHLIVOAAVZWKGP-QGZVFWFLSA-N 408.239 3.645 0 1 HHAF Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587508039 FJJZUXJQGJRNES-MYYSRTQBSA-N 401.466 4.121 0 1 HHAF Cn1cnc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547746 RKOBXLOVBVMOFC-CXAGYDPISA-N 401.216 3.591 0 1 HHAF O=C(c1cc(-c2ccncc2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661594 OZMDKPMUUUFLEQ-UHFFFAOYSA-N 411.396 3.676 0 1 HHAF COCCN(C)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587739164 GDJKONDSFRZMKP-BLVKFPJESA-N 408.315 3.689 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587768596 KYFOZMXRCHHUGK-PRWKNARSSA-N 417.278 3.784 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587789193 AKGUFFUMNYXEHE-GIGQVBGESA-N 405.267 3.717 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587791543 JZGNUHJRLIQDDG-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)NC(=O)CO3)N1 587792309 HVJXNEMJAMQISQ-GIGQVBGESA-N 405.267 3.717 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)O)cc2)N1 587794177 OQJABSHPFACSSK-JEOXALJRSA-N 408.267 3.849 0 1 HHAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 587809643 SKFFYHSTKUMNGJ-YPMLDQLKSA-N 406.251 3.811 0 1 HHAF Cc1c(O)ccc2c1[C@H](c1cccc(F)c1NC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963468678 ICXWGWZDJBJRTP-KXBFYZLASA-N 416.449 3.875 0 1 HHAF CC(C)NC(=O)N(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 1772589503 SHAURQNGTTUHTK-UHFFFAOYSA-N 416.518 3.664 0 1 HHAF COc1ccc2c(Nc3ccc(NC(=O)CN4CCCCC4)cc3)cc(=O)oc2c1 1857541419 ZOMANWORMRFURS-UHFFFAOYSA-N 407.470 3.970 0 1 HHAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 2356322376 XIPBNDPMMNUVEJ-ZRBLBEILSA-N 417.638 3.702 0 1 HHAF CC1=C[C@H](c2cc(O)cc(OS(=O)(=O)O)c2)[C@@H]2[C@H](C)CN=C3C[C@H](C)C[C@H]1[C@H]32 2356800566 QCLDAHVVVNMYLA-LEGPCPNLSA-N 405.516 3.987 0 1 HHAF S=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21)Nc1ccccc1 2356829295 IWUNHCQYRXSHDE-URVUXULASA-N 406.599 3.746 0 1 HHAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CC(C)(C)O2 756286 YKDIVEPKOQWENU-RBBKRZOGSA-N 424.541 3.838 0 1 HHAF COc1ccccc1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C 12047914 UHFRXJDEJNAGMT-UHFFFAOYSA-N 405.483 3.638 0 1 HHAF COc1ccccc1C(=O)OC[C@]1(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O1 13704136 FEYVCMAKCJAFOZ-FESPKCQYSA-N 404.503 3.775 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820962 QGYRJUPJNVRJRI-ZQJMWJCBSA-N 404.547 3.865 0 1 HHAF COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1 38388986 DYDZPCGUFFYCPJ-DEOSSOPVSA-N 408.498 3.502 0 1 HHAF COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccco3)n(C)n2)cc1 39560668 QYYTXJASCJUEIA-JQVVWYNYSA-N 406.530 3.656 0 1 HHAF biogenic Cn1c(CN2C[C@@H]3C(COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2cccnc21 40936957 FFCOSPGDDQANBL-SJPCQFCGSA-N 402.420 3.744 0 1 HHAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@@H]1C(=O)N1CCCCC1 72113130 GADIGRPXFZSBKU-FQEVSTJZSA-N 406.482 3.576 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO 95877780 UOYXNQGGSNDUET-ZTCOLXNVSA-N 424.516 3.620 0 1 HHAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](CC1CCCCC1)[C@@H](NC)CC2 142970366 YGNVNIZMZPPOME-PKTZIBPZSA-N 422.635 3.983 0 1 HHAF Cc1ccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)nc1 473162634 GHFKLGMHIXCGAE-SQGPQFPESA-N 404.470 3.821 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cnc3[nH]2)C[C@H](C)O1 586969179 UMSQKVDSNLMKHA-STQMWFEESA-N 424.505 3.946 0 1 HHAF O=C1C[C@H](Cc2nc3cc4c(cc3[nH]2)OCO4)c2c(Br)cccc2O1 587001926 AWWWZPRWHNVVCH-VIFPVBQESA-N 401.216 3.690 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)O2 587389344 JWWNRDZOWFHJOD-GMAHTHKFSA-N 416.437 3.607 0 1 HHAF COC(=O)CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587758521 QHDOBGWGBCRQEP-OVWNDWIMSA-N 424.314 3.588 0 1 HHAF Cc1noc(C)c1-c1ccc(CNc2c(C)nc3c(N4CCOCC4)nccn23)cc1 1772605558 NZFDZNUNSWWSBV-UHFFFAOYSA-N 418.501 3.758 0 1 HHAF N=c1cc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc3s2)cc[nH]1 1911575253 NVCOFSKWCYVDML-UHFFFAOYSA-N 402.401 4.000 0 1 HHAF CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(c2ccncc2)CC1 95569952 KHQPAGYJNOSQJL-QFIPXVFZSA-N 417.517 3.526 0 3 HHAF O=c1cc(-n2cc(COc3ccc(F)cc3)nn2)c2cc(Br)ccc2o1 103271630 UJOZIUJBTWNYOP-UHFFFAOYSA-N 416.206 3.854 0 1 HHAF CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1ccccc1 28525565 WJEDKJKCQOZDNI-FQEVSTJZSA-N 407.388 3.957 0 1 HHAF Cc1cccc(CNc2nc(C)cc(NCCC(=O)NCc3cccc(F)c3)n2)c1 45230689 HENVRUFVIMEDPH-UHFFFAOYSA-N 407.493 3.963 0 1 HHAF CC[C@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1)c1ccccc1 82196195 DMJCUGIYNXLTPN-INIZCTEOSA-N 416.481 3.600 0 1 HHAF Cc1cc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)sn1 149067819 RUFHNMPVLJEQHJ-UHFFFAOYSA-N 415.522 3.878 0 1 HHAF COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3cc(C)ccn3)cn1)CC2 95586049 PCJONWFTKRJDDH-UHFFFAOYSA-N 404.470 3.617 0 1 HHAF CCCC[C@@H]1OC(=O)c2cc(NC(=O)c3ccc(OCCO[N+](=O)[O-])cc3)ccc21 95602476 XXSGLHVDIRNMMN-IBGZPJMESA-N 414.414 3.928 0 1 HHAF CCOc1ccccc1CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1 653728700 POVGDVZYLAYYRJ-UHFFFAOYSA-N 404.510 3.962 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccco2)Cc2nc(N)ncc21 587472767 MSPHNVFKTCFRLO-NPMABZOXSA-N 405.454 3.901 0 1 HHAF O=S(=O)(Cc1nc2cc(Cl)ncc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950906 MBTBZIILAJDHDO-UHFFFAOYSA-N 405.911 3.544 0 1 HHAF COc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1 587661255 VONNBSNTBFJJTH-UHFFFAOYSA-N 404.397 3.908 0 1 HHAF COC(=O)C[C@H](C)[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441323 CHMUPUIEDFUEPO-DVXDUOKCSA-N 420.465 3.560 0 1 HHAF O=C(N[C@H]1CCC[C@@H]1Cc1ccc(C(F)(F)F)cn1)c1ccccc1-n1nccn1 1772593812 IKUCTWUQIFHMNW-KDOFPFPSSA-N 415.419 3.822 0 1 HHAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 169704976 GAEXNZNJBBGMQI-QAPCUYQASA-N 412.465 3.623 0 1 HHAF CCOc1cnc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(Cl)c1 169709299 DUVKJXMPEKYOJU-KSSFIOAISA-N 403.910 3.989 0 1 HHAF N[C@H]1C[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710667 DFGNCMNMKDFNQP-BZSNNMDCSA-N 407.495 3.831 0 1 HHAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3o2)cc1 3814692 NRHIQVOTOADHAI-UHFFFAOYSA-N 407.373 3.952 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 4051735 PHSODVWRZHEGNG-UPVQGACJSA-N 416.477 3.982 0 1 HHAF COc1cc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2N2CCCC2)cc(OC)c1OC 6018046 ZLRXOWWEHKSJGC-MOPGFXCFSA-N 404.551 3.510 0 1 HHAF O=S1(=O)[C@H]2C[C@H]3O[C@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 101718130 DZSBJQYROJIKMG-YSTOQKLRSA-N 407.894 3.708 0 3 HHAF CS(=O)(=O)Nc1cccc(CN2CCC[C@@H](Nc3cccc4cnccc34)C2)c1 114332330 JVACKTOSODNYNH-HXUWFJFHSA-N 410.543 3.683 0 1 HHAF CCC1(CC)C(=O)N([C@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@@H]1Oc1ccccc1 28461022 SBIYWMDMAPVVNJ-PZJWPPBQSA-N 408.454 3.545 0 1 HHAF CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(C(=O)O)ccc3o2)cc1=O 103240500 AVMNJGDJGHSQDP-UHFFFAOYSA-N 403.412 3.723 0 1 HHAF O=C1c2ccccc2-n2c(nc3cccnc32)CN1C[C@@H]1CCCN2CCCC[C@H]12 26822091 GRHLUCFHEZMWMY-FXAWDEMLSA-N 401.514 3.641 0 1 HHAF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@H](C(C)(C)Cl)O1 2356847655 OYOOMOHVUZZPOK-RXEAUGIDSA-N 401.035 3.695 0 1 HHAF Cc1ccc([C@@H](C(=O)NC2CCCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 35212800 SVDVSZCBPCEMGU-QFIPXVFZSA-N 409.530 3.536 0 3 HHAF COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](NC(C)=S)CC2 40564971 IRCHGIGGLOAINF-INIZCTEOSA-N 415.511 3.672 0 1 HHAF CS(=O)(=O)c1ccc(C2=C(c3cccc(Cl)c3)C(=O)C3(CCOCC3)O2)cc1 138214624 YPMFTIAJMACOSF-UHFFFAOYSA-N 418.898 3.760 0 1 HHAF COc1cc2nc(NCCCCc3ccccc3)nc(NC[C@H](C)O)c2cc1OC 82129241 LAHNRMUPSSVLSJ-INIZCTEOSA-N 410.518 3.875 0 1 HHAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 82205924 FWMGQVGVEYNESL-RTBURBONSA-N 414.525 3.955 0 1 HHAF OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 95874612 OCNSDTKZVINVFB-NXCFDTQHSA-N 414.553 3.568 0 1 HHAF COc1ccccc1OCCNC[C@@H](O)COc1cccc(Nc2ccccc2)c1 96939639 NWWXLAOTZNBDMO-OAQYLSRUSA-N 408.498 3.847 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F 261162383 RCORLUPQTRNDHM-MWDXBVQZSA-N 421.534 3.844 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)C)nn(C)c1N1CCOCC1)CC2=O 587476106 PBUHCJYYFIYSOI-LJQANCHMSA-N 413.518 3.745 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O 587422882 GHOAGFNTTJHQAR-MNFDSVIGSA-N 423.456 3.950 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)C5CCOCC5)[nH]c4c3)o2)cc1 586913173 JAOIACRGRCJGPS-IBGZPJMESA-N 406.442 3.749 0 1 HHAF COc1ccc([C@@]2(COC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587806312 HSGZEAQEZSVFBJ-FKIZINRSSA-N 422.294 3.938 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2c1 587166758 IKKGDUMOICQDCD-VOTSOKGWSA-N 418.222 3.903 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3ncc(F)cn3)c(=O)c3ccccc23)c(O)c1 587666186 BIFALYHCENLPGK-UHFFFAOYSA-N 405.433 3.534 0 1 HHAF O=Cc1c(Cl)[nH]c([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1Cl 962676441 ZDEHDHMPZXZDCJ-UZLBHIALSA-N 418.280 3.870 0 1 HHAF O=C1C[C@@H](N2CCN=C2C2=C(O)/C(=C/c3ccccc3)CC2)C(=O)N1c1ccccc1 17859627 OIMOZUCERHCROB-BKBDBRRMSA-N 413.477 3.722 0 1 HHAF CC1CCN(S(=O)(=O)c2ccc(-c3csc(NC(=O)C4CC4)n3)cc2)CC1 169303119 LFUBATTVJLWLEX-UHFFFAOYSA-N 405.545 3.579 0 1 HHAF 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CC(C)c1cc(F)c([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)cc1F 221675979 ZGASCMMHPOSBQL-XWCIJXRUSA-N 406.433 3.757 0 1 HHAF CCCN(CCCCN1C[C@@H]2CCC[C@H]2C1=O)[C@@H]1COc2cccc(OC)c2C1 253712461 ZSCQNYLCSNCYIW-SLFFLAALSA-N 400.563 3.749 0 1 HHAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 586961912 UBCUHXKQSPZIDQ-ZMYBRWDISA-N 412.515 3.661 0 1 HHAF COc1cc2c3c(c1)O[C@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587432452 LXHUEAMICVKNSC-ZZKQDXLVSA-N 417.502 3.521 0 1 HHAF C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551331 ZTZCYYJMVDTAIV-RXVVDRJESA-N 407.813 3.965 0 1 HHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587786534 REOFUTCXMYXACH-OLZOCXBDSA-N 419.222 3.506 0 1 HHAF CCCOCCOc1nc(N)nc2c1cc(-c1c(Cl)cccc1Cl)c(=O)n2C 653719498 FDHHPPFZFBRDHV-UHFFFAOYSA-N 423.300 3.690 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3C3(CCN(c4ccccc4)CC3)N12 962630081 DTFFXRVTXAEDAL-VWLOTQADSA-N 401.510 3.829 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356288610 HZOVZICTVIAROK-HBFSDRIKSA-N 405.589 3.578 0 1 HHAF CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@@H](C)C=CCCC(C)=CC(=O)O2)O1 2356530705 QFJACOUEVLILBV-MZAFEIHVSA-N 409.548 3.958 0 1 HHAF Cc1cc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)nn1C(C)(C)C 206057867 QEQHNHCFSJHZGG-MLGOLLRUSA-N 404.873 3.614 0 3 HHAF CNC(=S)N(O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 586937 ZKSQQECUHNGXJG-UHFFFAOYSA-N 417.918 3.996 0 1 HHAF O=C(Nc1ccccc1)N1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 3956110 TVUJCQHMLJWMHQ-UHFFFAOYSA-N 413.543 3.785 0 1 HHAF Cc1ccc(CNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 13660719 MIZKCYNMSIRCPU-HWOJHCLVSA-N 419.312 3.936 0 1 HHAF COc1cc2c3c(c1)c(CCN1CCN(c4cc(C)ccn4)CC1)c(C)n3CCC2 13740420 RZWHCPZOIOIFFQ-UHFFFAOYSA-N 404.558 3.973 0 1 HHAF CCCCCCC(=O)OCC(=O)NC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 26489505 YTRZQPXCORQEIS-UWTBYEHGSA-N 423.550 3.611 0 1 HHAF Cc1nc2ccc(CSC(=S)N3CCN(Cc4ccccc4)CC3)cc2c(=O)[nH]1 28330706 MAMYSEBDHPGLPM-UHFFFAOYSA-N 424.595 3.567 0 1 HHAF CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc(SC)cc4)[nH]c3=O)S[C@@H]2C1 28524615 VLTYSSPWANYJHI-UONOGXRCSA-N 403.529 3.579 0 1 HHAF CS(=O)(=O)Nc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1 35259674 WTECNPFZKVXOSX-UHFFFAOYSA-N 411.527 3.634 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2c(NCC3CCNCC3)cccc12 35277672 MWRDFYXQRHIRHQ-UHFFFAOYSA-N 420.538 3.960 0 1 HHAF O=C(Nc1ccncn1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1 49036297 IPIFBVVQCCLLTK-UHFFFAOYSA-N 419.451 3.812 0 1 HHAF C[C@H](CO)Cc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1 73223728 RBBKRVZWWJGYNB-ZETCQYMHSA-N 411.314 3.517 0 1 HHAF Cc1nc2ccc(CN3CCC(O)CC3)cc2n2c(-c3ccccc3Cl)nnc12 95597873 OIOIOFDJPMGWSE-UHFFFAOYSA-N 407.905 3.863 0 1 HHAF CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@@H]1CCCNC1 168217788 RRLGPXVRIYOXIU-QGZVFWFLSA-N 413.566 3.829 0 1 HHAF CCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212175697 IKWIXFQOGLDIQA-UHFFFAOYSA-N 414.506 3.999 0 1 HHAF O=C(O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12 299831465 BWADQIPIUTYRQG-UHFFFAOYSA-N 403.320 3.713 0 1 HHAF O=S(=O)(Cc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1 586922089 QPRXXJURPMSOKE-UHFFFAOYSA-N 406.463 3.975 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587043076 PCYJATHFOPCELI-ZWKOTPCHSA-N 411.487 3.573 0 1 HHAF COc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587169290 ATIHWAWIUPJORV-FQEVSTJZSA-N 411.458 3.779 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NCCCOC)nc1C)CC2=O 587494306 KVJYXLUVFAFZHD-OAQYLSRUSA-N 404.532 4.439 0 1 HHAF CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516739 VMXVAJBRXDNTKF-HXUWFJFHSA-N 409.530 3.965 0 1 HHAF C[C@@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517684 SELZGGHATLGODE-CPJLOUKISA-N 419.477 3.884 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615645 GUFFBIYYYGNZJU-RSDPBLMXSA-N 412.438 3.615 0 1 HHAF CCOc1oc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1C 587657332 YNIYRXZSHFSWMN-UHFFFAOYSA-N 411.364 3.725 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587702800 WQRSFNCHBRLBGW-NIVTXAMTSA-N 409.686 3.996 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587756346 KHBAQGBNWVMZEK-APBUJDDRSA-N 424.314 3.588 0 1 HHAF O=C(OCc1ccccc1)N1CCO[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587875799 MZEOWDMLWZUABT-LJQANCHMSA-N 423.400 3.473 0 1 HHAF CCc1ccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)cc1 653702445 ROFOXPHZSPHOES-UHFFFAOYSA-N 402.502 3.683 0 1 HHAF C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(CCOC)c2)ncc1Cl 914431298 ORBLOJJZDLUQDF-UHFFFAOYSA-N 414.853 3.633 0 1 HHAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963487083 BMUPQZMVRPGYQK-CKRAVPEWSA-N 423.509 3.642 0 1 HHAF COC(=O)[C@H]1CC(=O)C[C@@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832144 LURDTEVQDBTCMJ-SSOJOUAXSA-N 418.493 3.630 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@@H]2CCCCO2)cc1F 1772581185 NHSFBZYDYMUCPM-JTQLQIEISA-N 405.904 3.717 0 1 HHAF O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(Cc3ccccc3)n2)C1 1772656423 AMNQIKVPQLYCPR-UHFFFAOYSA-N 407.314 3.960 0 1 HHAF O=c1oc(-c2ccccc2)nn1CCCCN1CCC2(CC1)OCc1ccccc12 1857547632 VUWZMKINVVTFBN-UHFFFAOYSA-N 405.498 3.805 0 1 HHAF CCS(=O)(=O)Oc1c([C@@H](CC(C)=O)c2ccccc2)c(=O)oc2ccccc12 1911579874 ULLUOPDPJUJNCB-KRWDZBQOSA-N 400.452 3.633 0 1 HHAF CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)NC(C)(C)C)nc1=O 101965125 GBUPEGOLURKSET-UHFFFAOYSA-N 403.548 3.596 0 3 HHAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@@H]1c1cccc(Cl)c1 199424209 VFLOKPGUHCOGJG-HXUWFJFHSA-N 413.905 3.928 0 3 HHAF CCC[C@H]1[C@@H](NS(=O)(=O)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042061 HPDOWWMADZJSCG-BESBDSHLSA-N 418.603 3.846 0 3 HHAF Oc1ccc(C2=CSc3nnc(-c4ccc(Br)cc4)n3N2)cc1O 108803315 IOOGMVNCMUUUHX-UHFFFAOYSA-N 403.261 3.767 0 1 HHAF COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccccc4C)c(=O)c23)n1 103296351 HYKGFACRWRTEPJ-UHFFFAOYSA-N 418.453 3.661 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 100728501 LLAHJYBITWOMNU-ODAXIHTASA-N 407.510 3.871 0 1 HHAF Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@@H](C)O)c12 29128018 CRQDJKDWQXTBJT-MRXNPFEDSA-N 408.546 3.965 0 1 HHAF COCC=Cc1cc(O)c2c(c1)[C@@H](COC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2 2356572667 IWDGCLQHHMDLRR-GCJKJVERSA-N 414.454 3.849 0 1 HHAF Cc1cc(C)n(CC(=O)Nc2ccc(SC[C@H]3CCCN4CCCC[C@H]34)nc2)n1 504269259 OCTGRGFOWLDPNW-UYAOXDASSA-N 413.591 3.890 0 1 HHAF biogenic CCOC(=O)c1csc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)n1 225001053 HSEXIOBRLKPNTB-UHFFFAOYSA-N 418.494 3.518 0 1 HHAF CC(=O)NCCn1c(-c2cccs2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188456 HVMYHZUCDHJNJH-OAHLLOKOSA-N 420.542 3.907 0 1 HHAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCC3CCCCC3)c2cc1OC 82119665 AJJDSZGVLAYBGZ-QGZVFWFLSA-N 414.550 3.848 0 1 HHAF O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@H](Cc1ccccc1)NCc1cscn1 84544559 BDOXDJUJDRXRLK-NRFANRHFSA-N 403.511 3.873 0 1 HHAF Cc1ccnc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 96172452 OWGRDGFKETWYIR-YLJYHZDGSA-N 401.514 3.871 0 1 HHAF O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 146276253 HGSIQHLBRZODEA-SIKLNZKXSA-N 415.472 3.640 0 1 HHAF CC(=O)N1CCC(c2cc(C)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168867 FJKFSWPYCBMOKL-UHFFFAOYSA-N 416.525 3.932 0 1 HHAF COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2ccncc2)cc1 299824766 HQYIQBZOPMNSDJ-XDHOZWIPSA-N 414.421 3.545 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135360 XSZWDBGXPQHENX-VOTSOKGWSA-N 417.359 3.679 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Br)c(CC(=O)O)c2c1 587648305 BSHTWQCJUOFUSV-UHFFFAOYSA-N 408.273 3.628 0 1 HHAF Cc1c(Br)cnc2[nH]c(-c3cncc(I)c3)nc12 587184659 LGCYIZULGCYGOA-UHFFFAOYSA-N 415.032 3.695 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3C1)O2 587398853 IMROHKFMPRNMKN-QZTJIDSGSA-N 406.482 3.960 0 1 HHAF CCOC(=O)C[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335867 IKUVXRYCAXZFMD-JTHBVZDNSA-N 422.412 3.529 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C(CCCC(=O)O)(CCCC(=O)O)N1 587829591 RGMPCOUZQWCDSJ-NSHDSACASA-N 416.287 3.828 0 1 HHAF CC(C)(C)n1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587344201 WJNVMEDSZGVDFE-CVDCTZTESA-N 424.428 3.822 0 1 HHAF O=C(O)CSc1ncccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 586967491 ZRMVHEPMXWOBDE-UHFFFAOYSA-N 400.204 3.842 0 1 HHAF CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619180 RDYSAGPDVLTZCK-QXATTWAWSA-N 414.479 3.799 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757154 NJVPYMLXFZXELS-GIGQVBGESA-N 424.314 3.674 0 1 HHAF O=c1c2cc(Cl)ccc2cnn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 587651415 IWIJEVCJBGQHMV-UHFFFAOYSA-N 423.263 3.881 0 1 HHAF CCOC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588547 RATDBZWFJIFSJX-AUSIDOKSSA-N 405.406 3.841 0 1 HHAF CCC(CC)[C@@]1(CC2OCCO2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962658320 CNGDMIJWXYBOOK-ZEQRLZLVSA-N 412.530 3.728 0 1 HHAF CCC(=O)Nc1cc(Nc2n[nH]c3ccccc23)c(OC)cc1N(C)CCN(C)C 1772656157 GJXLTDYVVAFRPI-UHFFFAOYSA-N 410.522 3.661 0 1 HHAF c1cc(OCCN2CCOCC2)cc(-c2cnc3c(-c4ccsc4)cnn3c2)c1 13819809 RIWXRSABMFAFHZ-UHFFFAOYSA-N 406.511 3.836 0 1 HHAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 169355228 OKTLUHLPRNUIIK-UFYCRDLUSA-N 408.527 3.715 0 1 HHAF CC(C)O[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OCC(F)(F)F)cc1)C2=O 169702044 TWYXVYSMMUCKOW-ZHALLVOQSA-N 401.425 3.689 0 1 HHAF Cc1cc(NC(=O)Cn2nnc(-c3ccc(Cl)c(C)c3)n2)n(C2CCCCC2)n1 1857568855 SDYACSNIJCNOEN-UHFFFAOYSA-N 413.913 3.951 0 1 HHAF CCC(=O)Nc1nc(C)c(-c2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)[nH]1 1857578291 IELIPILAHREMSR-UHFFFAOYSA-N 408.483 3.925 0 1 HHAF O=c1c2cnn(CC3COC3)c2nc(SCc2cccc(F)c2)n1-c1ccccc1 1857641447 VMZFKKBREQXYCR-UHFFFAOYSA-N 422.485 3.660 0 1 HHAF O=C(NCc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(Cl)ccc1O 1857656705 NWHPNTSDVNSWAS-UHFFFAOYSA-N 416.886 3.776 0 1 HHAF O=C(Nc1c(F)cccc1F)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 4880152 DXWYGYMHUWSUCJ-INIZCTEOSA-N 408.451 3.685 0 1 HHAF O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)Nc1ccc(Cl)cc1 103903467 KWRMPBANPZPDBD-UHFFFAOYSA-N 411.874 3.857 0 1 HHAF CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(F)cc32)c1C 103192187 HSMSRMIPXLMLEO-AQTBWJFISA-N 413.493 3.786 0 1 HHAF O=C(c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCOC2)N1CC(F)(F)C1 101500771 QBAHXZGQJNUJOJ-TWABTFKJSA-N 422.497 3.677 0 1 HHAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)on1 61926180 ZQZVZBDZHRBULI-KRWDZBQOSA-N 415.490 3.507 0 3 HHAF O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccn4)CC3)nc2c1 116231867 JZRLQKWCGIHMFP-UHFFFAOYSA-N 411.465 3.717 0 1 HHAF COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@H]4CNCc3ccco3)n(C)n2)cc1 2356855074 QYYTXJASCJUEIA-IPJJNNNSSA-N 406.530 3.656 0 1 HHAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)OC/C=C/c1ccccc1 36177036 UASJKQINROBGIC-PRDORQFJSA-N 405.494 3.951 0 1 HHAF COc1cc(C2=NN(C(C)=O)[C@@H](c3ccccc3C(F)(F)F)O2)cc(OC)c1OC 40822529 PEZMABSYMVQWSF-LJQANCHMSA-N 424.375 3.970 0 1 HHAF COc1ccc(-c2cccc3[nH]c4c(c23)CCN2C(=O)[C@H]3[C@H](C)ON(C)[C@H]3C[C@@H]42)cc1 199739504 AIYZLSLWNNCJJV-SVWBVHECSA-N 417.509 3.923 0 3 HHAF COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC3CC3)ncnc21 82179389 FBMMTEWFQUXYJY-UHFFFAOYSA-N 407.396 3.860 0 1 HHAF COCCN(C(=O)c1ccc2c(c1)CCO2)c1ccnc(N[C@@H](C)c2ccccc2)n1 49087603 WGGPLBBTAVVSFR-KRWDZBQOSA-N 418.497 3.878 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 88260823 GPJZDFFHRGHLEJ-RTWAWAEBSA-N 406.979 3.769 0 1 HHAF COc1cc(CCC(=O)CC(=O)CCC[C@H](O)CCc2cccc(O)c2)ccc1O 85627121 ADLGPORJPYLWAY-IBGZPJMESA-N 414.498 3.731 0 1 HHAF biogenic,in-vitro O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCCc3ccccc32)n1 96269631 LWYXHZSLSYHCJR-UHFFFAOYSA-N 419.554 3.889 0 1 HHAF COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2cccc(F)c2)C=C1C 30880551 PAICLUJCWNFTIA-ZJOUEHCJSA-N 404.526 3.563 0 1 HHAF biogenic CS(=O)(=O)[C@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 144372432 BLULZTBNCMRZRI-PKOBYXMFSA-N 418.527 3.574 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 587038766 BPAMKMQBNOKHFV-IRXDYDNUSA-N 418.526 3.569 0 1 HHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 586939540 VXFMCXGYXBUBQO-OAHLLOKOSA-N 407.879 3.590 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)n2C)N1 587679009 DUCDWNTUFNKTSK-FUXBKTLASA-N 403.093 3.708 0 1 HHAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(OCc3ccccc3)c2[nH]1 586930996 YQGSSYWQYRMQEK-UHFFFAOYSA-N 423.494 3.677 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(I)cc31)O2 587385461 DCLZJSKVFSYCEA-GOSISDBHSA-N 421.234 3.825 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2cccc(Br)c21 587459295 NXZNANILQMAISP-HXUWFJFHSA-N 416.271 3.944 0 1 HHAF C[C@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619964 WENBCPFFCJNQEF-PGRDOPGGSA-N 409.463 3.986 0 1 HHAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3csc(O)n3)[nH]c2c1 587018488 DIDPTQCTXIKPEI-UHFFFAOYSA-N 406.876 3.846 0 1 HHAF CCOC(=O)C(C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095991 FCCWJLYSESTJKT-UHFFFAOYSA-N 403.434 3.964 0 1 HHAF COc1ccc(CN2C(=O)C[C@@]3(C=C2C)CC(=O)c2cc(C)cc(N)c2O3)cc1OC 587389784 CQVROOKXCZHFJT-XMMPIXPASA-N 422.481 3.635 0 1 HHAF CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586946835 QMPRPRGYOALAMA-UHFFFAOYSA-N 417.840 3.928 0 1 HHAF COc1ccc(-n2cc([C@]3(c4ccccn4)NCCc4cc(C)c(F)cc43)nn2)cc1 962094657 UJZMFRLCJBNKFE-DEOSSOPVSA-N 415.472 3.556 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccccc2C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963588564 ZBYKOBFRKVODPB-FYSMJZIKSA-N 411.498 3.578 0 1 HHAF Cc1nc2c(C)cccn2c1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691307 CCQGWVULHSJMCR-CVEARBPZSA-N 407.367 3.797 0 1 HHAF C[C@H](O)[C@@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)n1cnc(C(N)=O)c1 11687712 HARPZZZNCPVLRK-SCLBCKFNSA-N 424.888 3.998 0 1 HHAF CC(=O)N(C)c1ccc(S(=O)(=O)c2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 13743609 NFGFRJLQIHIIHM-IBGZPJMESA-N 409.529 3.562 0 1 HHAF O=C(c1ccccc1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 13782325 DTMVJVGRYJOBAH-UHFFFAOYSA-N 409.921 3.563 0 1 HHAF Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN(C=O)CC3)cc2n2cncc12 13860326 RQKYSKZJAZJRFA-UHFFFAOYSA-N 420.904 3.866 0 1 HHAF CNC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F 169701456 LYQWROUQCSVXLE-UHFFFAOYSA-N 413.456 3.794 0 1 HHAF CN1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)sc3c(N)ncnc34)c2)CC1 203675626 OYYKGCKVVURSQO-UHFFFAOYSA-N 418.526 3.873 0 1 HHAF Clc1ccc2c(NCCNc3cc(Cl)nc(N4CCOCC4)n3)ccnc2c1 204928078 MJNVZQIOCRXMGG-UHFFFAOYSA-N 419.316 3.692 0 1 HHAF CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(=O)O)c3)c(F)c2)ccn1 1857639248 MXGBTZAKQDHNMY-UHFFFAOYSA-N 424.388 3.715 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)[C@@H](C)C(=O)N3C)cc1 1857644299 RQPKKSVEMBJZOS-INIZCTEOSA-N 401.532 3.623 0 1 HHAF CSc1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1 1857771910 CFAJGMOCVYVAED-UHFFFAOYSA-N 418.495 3.610 0 1 HHAF CCOc1ccc(OCC)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 4626096 OCNRHDKZSIGUGR-INIZCTEOSA-N 415.515 3.709 0 1 HHAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@@H](C)[C@@H](C)C3)OCO2 14692458 HOPDFAWBFXSPSA-LDLUMPKVSA-N 400.427 3.690 0 1 HHAF biogenic O=C1CC[C@@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2cccs2)N1 15068291 YJRGJTIQIAHHFK-YADARESESA-N 424.566 3.841 0 1 HHAF O=S(=O)(c1cccc(Br)c1)c1cn([C@H]2CCCNC2)c2ncccc12 28862354 OOEODGKGTGXKMD-AWEZNQCLSA-N 420.332 3.556 0 1 HHAF C[C@@H]1Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccncc3)CC4)c2O1 34984684 JQIOFPJNEBMYKB-LJQANCHMSA-N 405.542 3.923 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@](C)(c3ccccc3)C[C@H]2C1 36093050 CNZZVIOBKWRMHA-SEPYTNNBSA-N 413.949 3.855 0 1 HHAF O=C(c1ccc(F)nc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 38346581 UPCUBZAYKNYBDJ-QFIPXVFZSA-N 407.832 3.687 0 1 HHAF COC(=O)[C@@H](NC(=O)c1cc(COc2nc3ccccc3s2)on1)c1ccccc1 45246021 GZBDYLBRYPXXCW-SFHVURJKSA-N 423.450 3.507 0 1 HHAF Cc1cc2c(CN3CC[C@H](O)C3)c3c(nc2cc1F)-c1cc2ccccc2c(=O)n1C3 58538090 QOTMLPSIGQPXGF-INIZCTEOSA-N 415.468 3.593 0 1 HHAF O=C(/C=C/c1ccc(C(F)(F)F)nc1)N1CCc2c(c3c(c4c2CCO4)OCC3)C1 58581068 RCTQCVNKGITYDY-DUXPYHPUSA-N 416.399 3.568 0 1 HHAF CCn1cnc(CCN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 64600150 IMUHRAIIISYMLX-UHFFFAOYSA-N 401.470 3.921 0 1 HHAF O[C@@H](CNC[C@@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72182055 NIFSLPNXPNHSGO-YGRLFVJLSA-N 407.358 3.505 0 1 HHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc5c(cc4[C@H]3CC[C@]12C)C=NS(=O)(=O)O5 72283415 ZXCSHYREBGIOTL-OKSLILNBSA-N 403.500 3.531 0 1 HHAF CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCNC(C)=O 82186258 QSFLZPITDUTRNX-UHFFFAOYSA-N 400.914 3.885 0 1 HHAF COc1cnc(C(=O)Nc2cccc([C@]3(C4CCCCC4)CSC(N)=N3)c2)cn1 139567544 NPHZTQGJWPDARN-OAQYLSRUSA-N 411.531 3.575 0 1 HHAF CCN1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)C[C@@H]1C 146593376 PETSCYDXCUXNIW-INIZCTEOSA-N 417.513 3.650 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]56)[C@H]4C3=O)c2)cc1 169295366 ZHDUETSVHPQFSE-JOLMYRCBSA-N 414.461 3.505 0 1 HHAF COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1 473107362 IPYZTKHAQSCLDZ-UHFFFAOYSA-N 410.308 3.816 0 1 HHAF Cc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880954 RPAWJIKOYBHKQS-UHFFFAOYSA-N 407.451 3.551 0 1 HHAF N=C(N)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028400 XPTALKYIOYYKSC-ZMYBRWDISA-N 407.543 3.983 0 1 HHAF FC(F)(F)c1nc2ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2[nH]1 587120761 URQLYTAYHFLNIP-UHFFFAOYSA-N 401.392 3.957 0 1 HHAF COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587345828 GWRKDLVMQQDEPH-XXBNENTESA-N 405.381 3.746 0 1 HHAF O=C1[C@@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(Oc5cc(O)ccc5C(=O)[C@@H]2c2ccc(F)cc2)[C@H]2[C@H]1[C@H]3[C@@H]42 587352718 NMQDICCAUIOBBZ-YTAANCIRSA-N 402.421 3.586 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)O2 587391232 LUIWMGZNJYUIJF-IZHWHUGBSA-N 404.466 3.910 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1)[C@@H](C2)C3=O 587439547 VHPCNCHMFBYMTO-QGQIHGEGSA-N 423.509 3.672 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(C)nc3ccccn13)CC2=O 587489382 LTNXQRCDFGYAHS-HSZRJFAPSA-N 408.454 3.725 0 1 HHAF Cc1cccnc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577132 JCJDEBGMBAQFCQ-WMZHIEFXSA-N 404.422 3.845 0 1 HHAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581021 UPRRUPSFZAOYRZ-QPPBQGQZSA-N 417.417 3.990 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)n2C)N1 587685929 USILIYZUMBTPHA-WPPNPWJKSA-N 403.093 3.708 0 1 HHAF CCOC(=O)/C(=C/N(C)C)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587758021 WKVFGEUJAMBVPQ-NVZAKKNJSA-N 413.331 3.736 0 1 HHAF COC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791361 HRZLNKNRVYFBMP-NSPYISDASA-N 408.267 3.764 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnc2ccccc21 587868912 XAHORIGDONROFP-UHFFFAOYSA-N 401.348 3.663 0 1 HHAF COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1 653771372 GMLBFSTYFXZCTE-UHFFFAOYSA-N 415.541 3.615 0 1 HHAF COc1cc2c(cc1OC)[C@](c1ccccc1)(c1cccnc1C(=O)O)N(C)[C@H](C)C2 962576032 SPOBRWXYKZNYPZ-CPJLOUKISA-N 418.493 3.965 0 1 HHAF CC1(C)OCc2cc([C@@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962973393 WAHABJYJHHJRLR-KDOFPFPSSA-N 409.816 3.952 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)N(C)CC(C)C)CC3)c2)c1 1772587451 RQTJGAXWPGPCQV-UHFFFAOYSA-N 422.573 3.969 0 1 HHAF O=C(N[C@@H]1CCC[C@H]1Cc1ccc(C(F)(F)F)cn1)c1ccccc1-n1nccn1 1772593811 IKUCTWUQIFHMNW-KBXCAEBGSA-N 415.419 3.822 0 1 HHAF C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc(=O)c2cnc(-c3ccc(F)cc3F)n2[nH]1 1772609217 WJWMVEDBYNDNIU-RDTXWAMCSA-N 421.451 3.598 0 1 HHAF Cc1ccccc1CN1CC[C@@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772645262 KUVFQBCWWCBTFO-LEWJYISDSA-N 400.469 3.926 0 1 HHAF Fc1ccc(-c2nc3c(N4CCNCC4)ccnc3n2Cc2cccc(F)c2)cc1 1857748186 YARJPJFDFKXJFE-UHFFFAOYSA-N 405.452 3.834 0 1 HHAF CC(C)Oc1cc(N2CCOC[C@H]2C(F)(F)F)nc2c(-c3cc[nH]n3)nccc12 1911574213 ZDECBZFMJDZFBJ-HNNXBMFYSA-N 407.396 3.575 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 767936 UWZVKHFRBSNFTG-FJIJXJHWSA-N 416.477 3.637 0 1 HHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C=N/OCCN)CC[C@]12O 3936251 JHVKYSPGICHFOW-VSICNCOUSA-N 404.595 3.638 0 1 HHAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOCCO 4213588 MKYUOGLKJFECEB-DHIUTWEWSA-N 412.530 3.979 0 1 HHAF Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(NCCCOC(C)C)n2n1 6805502 ATULPNZGJVLINK-UHFFFAOYSA-N 407.522 3.630 0 1 HHAF O=C1c2cc(Br)c(Br)n2[C@H]2C(Cl)(Cl)[C@@]23CCCN13 101090871 TXBSLKWTQVBRDL-NXEZZACHSA-N 414.912 3.730 0 1 HHAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCc2ccc(Cl)cc2)nn1 103201246 YVUKOHNZPNODDU-UHFFFAOYSA-N 418.787 3.949 0 1 HHAF O=C(C1CCCCC1)N1[C@@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc3ccccc13)C2 101213061 REHIEVFQRQVSNB-WOJBJXKFSA-N 412.555 3.784 0 1 HHAF COc1cnc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc1N1CCOCC1 118160942 AOLVFOITZPTRJF-UHFFFAOYSA-N 423.448 3.772 0 1 HHAF COc1c(Br)cc2cc1Oc1ccc(cc1)C[C@H](O)COC(=O)CC2 26748658 BILREOZCVCVBSU-AWEZNQCLSA-N 407.260 3.643 0 1 HHAF COc1ccc([C@@H]2Oc3cc4c(c(OC)c3C(=O)[C@H]2O)C=CC(C)(C)O4)c(OC)c1 2356625315 IQEOIUQZHNDKTI-IRLDBZIGSA-N 412.438 3.574 0 1 HHAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(C)Cc3ccccc3)[C@H](O)[C@H]2[C@@H]1C 2356644074 RHCASEZXSITHLI-ZUHATDGOSA-N 414.590 3.609 0 1 HHAF COc1ccc(-c2nc3c(C(=O)N=c4[nH]c5ccccc5[nH]4)cccc3[nH]2)cc1OC 71317996 MKQKSZQBCSLGMM-UHFFFAOYSA-N 413.437 3.798 0 1 HHAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(-c4nn[nH]n4)c3)c2F)cn1 212175126 VQSCILMTOYIHFO-UHFFFAOYSA-N 417.448 3.892 0 1 HHAF CC(C)(C)OC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71294439 DCHCUJLYTWHIHV-UHFFFAOYSA-N 408.915 3.546 0 1 HHAF CC(C)(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143277360 VLTNCZFXYSZMMZ-NRFANRHFSA-N 418.415 3.548 0 1 HHAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@@H](C(F)(F)F)C4)ccc23)cn1 221608911 FRAHVWASIZPVJR-OAHLLOKOSA-N 417.435 3.509 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ncccc45)ccc31)[C@H]1CC[C@@H](C2)N1 96175249 LEVDXNRRALAJPG-IFXJQAMLSA-N 403.507 3.909 0 1 HHAF CC(C)N1c2ccccc2[C@H](c2ccc(F)cc2)[C@@H]1/C=C/[C@H](O)C[C@@H](O)CC(=O)O 299847742 CRBHVCVVJPUERN-DMUKVAOBSA-N 413.489 3.697 0 1 HHAF CCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587606638 IOERJVPIBJIKTH-DENIHFKCSA-N 410.447 3.889 0 1 HHAF COC(=O)c1ccnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 587116573 HVONTFHOQMEPCY-UHFFFAOYSA-N 413.787 3.733 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 587768251 TWJFKPFOVTXETG-CWTRNNRKSA-N 408.315 3.557 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 586920830 RTCAHJONGABYHK-UHFFFAOYSA-N 418.902 3.508 0 1 HHAF COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Br 587414051 RGVPKDVCXKMBHW-VLIAUNLRSA-N 417.255 3.907 0 1 HHAF COc1cc(N)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587751863 ZHJFLONPOMOACD-OVWNDWIMSA-N 409.299 3.985 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587150338 SHRUCNACBSMFOY-GFCCVEGCSA-N 419.815 3.797 0 1 HHAF COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805553 HKVFQUCVSGKGIS-MPBGBICISA-N 420.278 3.764 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592423 HCGOWCSXVJYGHD-AUSIDOKSSA-N 403.390 3.600 0 1 HHAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587580221 RUQASGYKUMVATO-NZQKXSOJSA-N 404.422 3.845 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](CCO[C@H]2CCCCO2)N1 962921059 FVPXTRZBRSAWOQ-FSSWDIPSSA-N 413.470 3.758 0 1 HHAF Cc1cc2c(cc1O)[C@@H](c1c(C)nn(-c3cccc(Cl)c3)c1C)N[C@H](C(=O)O)C2 963493761 WUEISHXTBFEPCR-RXVVDRJESA-N 411.889 3.845 0 1 HHAF CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)[C@@H]1C(C)(C)C 5992958 OWMOMAZQUXMQMO-QGZVFWFLSA-N 419.547 3.705 0 1 HHAF O=C(O)c1cccc(-c2cn3cccc(C(=O)Nc4nc5ccccc5s4)c3n2)n1 169349189 FBFAGFZLYYDNCE-UHFFFAOYSA-N 415.434 3.957 0 1 HHAF COC1CCN([C@H](CNC(=O)c2cccc(Cl)c2Cl)c2cnc(C)nc2)CC1 207676248 YULSMQGOSXWAIG-GOSISDBHSA-N 423.344 3.674 0 1 HHAF O=C(OCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3785873 FROQCGUHFCMLBP-NRFANRHFSA-N 401.528 3.796 0 1 HHAF Cc1ccc(C)c(-n2c(SCC(=O)Nc3nonc3C)nnc2-c2ccoc2C)c1 4092881 ZDAOANRKDFEZFD-UHFFFAOYSA-N 424.486 3.875 0 3 HHAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(F)cc1 103226509 NAKHLXHAFRABRV-HSZRJFAPSA-N 408.379 3.917 0 1 HHAF Fc1ccc([C@H]2C[C@H](N3CCN(CCN4CCN=C4S)CC3)c3ccccc32)cc1 26295104 KEZSHZKFTHXJAG-PKTZIBPZSA-N 424.589 3.621 0 1 HHAF CN(CCCCCc1ccccc1)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 28526289 CEVVHGQFCVNJJE-QHCPKHFHSA-N 405.542 3.720 0 1 HHAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCSc2ccccc21 22941354 LZYZLDMCQNWMSS-UHFFFAOYSA-N 415.990 3.987 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC/C=C\I)[C@@H](c1ccccc1)C2 26832755 PTARSFHGDDMYOJ-VQQFTQBISA-N 411.283 3.745 0 1 HHAF CC1(C)CN(S(=O)(=O)c2cccc(F)c2)c2cc(F)cc(C3CCNCC3)c2O1 28948496 GTJFUZVVSLGPQI-UHFFFAOYSA-N 422.497 3.798 0 1 HHAF Cc1c(OCC(=O)NCC2CCC(C(=O)O)CC2)ccc2c1oc(=O)c1ccccc12 2159875 TTXZRTYXXNRVMA-UHFFFAOYSA-N 423.465 3.641 0 1 HHAF biogenic COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(OC)c2c(OC)c1OC)COC3=O 14435103 JZLOANXPTOXARG-UHFFFAOYSA-N 424.405 3.940 0 1 HHAF biogenic CCOc1ccccc1-c1nc(C(=O)NCC(=O)NCC2CCCCC2)cs1 82072046 XMKBHQGQUGIQEG-UHFFFAOYSA-N 401.532 3.635 0 1 HHAF COC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC(F)F)nc2C)c1=O 49066797 RCUZUNCGXAAJKP-GFCCVEGCSA-N 414.840 3.851 0 1 HHAF COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3cccs3)ncnc21 82190043 ICHFEPQEORXWLV-UHFFFAOYSA-N 411.487 3.528 0 1 HHAF COc1ccc(CNc2ccc3c(O)c(C(=O)NCCCCC(=O)O)ncc3c2)cc1 146714670 PHJRXUKBVHDOKV-UHFFFAOYSA-N 423.469 3.546 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC/C=C/c1ccccc1)[C@H](OC(=O)c1ccccc1)C2 253641801 UASJKQINROBGIC-UCYHRFEZSA-N 405.494 3.951 0 1 HHAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1 261172322 TYZKGCIDJUPIPC-IYARVYRRSA-N 400.592 3.893 0 1 HHAF Cc1ccccc1Nc1ccnc(O)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 653727816 KGMPHIGFGPMSLD-UHFFFAOYSA-N 417.513 3.843 0 1 HHAF COc1ccc(NCN2C(=O)c3ccc(NC(=O)c4ccccc4)cc3C2=O)cc1 653718841 WRJQTZIYQUMRDV-UHFFFAOYSA-N 401.422 3.613 0 1 HHAF CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707923 YKMZTZIBCDVEAY-FDHQVAJDSA-N 416.184 3.781 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ncn2C)N1 587683894 PNARSRVDYJMGSZ-KRTXAFLBSA-N 403.093 3.708 0 1 HHAF CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1 587778109 HNUQXAOSBQNYPE-UHFFFAOYSA-N 401.532 3.973 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587745483 WGUQEANLMWXQHK-UFYHVXEKSA-N 421.310 3.725 0 1 HHAF CN(C)CCOc1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1 587061680 XPIZAVHFZRJWKT-UHFFFAOYSA-N 408.893 3.863 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587258274 DVPUICYENQCKTK-HNNXBMFYSA-N 400.442 3.717 0 1 HHAF Cc1c(F)ccc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 586941022 BRKSDAAFTTWNDZ-UHFFFAOYSA-N 412.490 3.708 0 1 HHAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591925 IFFKKEDTJCPNQY-GBXCKJPGSA-N 402.402 3.982 0 1 HHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1OC 587577802 LWSKPRKCCORURG-JPYJTQIMSA-N 407.422 3.869 0 1 HHAF COc1cc2c(cc1OC)[C@@](CC(C)=O)(c1cccc(NC(C)=O)c1)N(C)[C@@H](C)C2 962576253 WRWBQWUTNJYVBG-IZHWHUGBSA-N 410.514 3.761 0 1 HHAF Cc1c(O)ccc2c1[C@](CCCC(=O)O)(c1ccc3ccccc3c1)N[C@H](C(=O)O)C2 963529217 WDJANZDPQSGHJM-CPJSRVTESA-N 419.477 3.951 0 1 HHAF CC(C)(O)CNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1 1772571533 ZRPMCOWEVCOVBL-UHFFFAOYSA-N 405.376 3.942 0 1 HHAF O=C(C[C@H]1CNC(=O)c2cc(-c3ccc(F)c(F)c3)cn21)NCC1CCCCC1 169332462 SGXRBZAUSKURHK-KRWDZBQOSA-N 401.457 3.804 0 1 HHAF CC(C)n1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)c1Cl 169351692 HTCVWGRCLDZHJG-UHFFFAOYSA-N 413.909 3.676 0 1 HHAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccc4nccn4c3)C[C@H]2CS1 169708461 SREYUNASIGFXOS-ZLXGRDSLSA-N 400.454 3.647 0 1 HHAF Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@H](C(N)=O)C1 101107589 RRIWPQTVSGGHDS-HDICACEKSA-N 413.481 3.536 0 1 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 4056080 WOYKHZCECIULNJ-TZIWHRDSSA-N 414.889 3.689 0 1 HHAF COCCOc1ccn2c(-c3ccc4cccc(OCC(C)(C)CN)c4n3)cnc2c1 103239371 OEQLYHXNGSLNQN-UHFFFAOYSA-N 420.513 3.938 0 1 HHAF CCOC(=O)[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)O)CCc1ccccc1 28264973 JCUGMLJJIQFNCS-NQIIRXRSSA-N 409.482 3.621 0 1 HHAF CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C1 101668515 YXOCMNIVIOISGO-PFDYPGGWSA-N 405.542 3.836 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 58666047 SZDSCLOAPYDVBU-RWGCZEEPSA-N 402.579 3.513 0 1 HHAF CS(=O)(=O)c1ccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)cc1 61905803 QMLIDPXUPLTORF-KRWDZBQOSA-N 403.529 3.507 0 3 HHAF CC(C)CN1C(=O)C[S@](=O)[C@@H]1c1cnccc1-c1ccc(Br)cc1 28819635 SCEQKECTMMQORQ-HOYKHHGWSA-N 407.333 3.757 0 1 HHAF Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CN)c2)c1 66066408 SIDPLRKTLMLJQZ-UHFFFAOYSA-N 421.526 3.535 0 1 HHAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1cccc(Br)c1 29475836 KARPTUAALKDTEF-UHFFFAOYSA-N 400.202 3.722 0 1 HHAF CC(C)[C@@H](C)C(=O)Nc1nc2c([nH]1)[C@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 2356543950 WSPTYPWIKVJOTQ-KGLIPLIRSA-N 420.517 3.866 0 1 HHAF COC(=O)N[C@H](C=Cc1ccccc1)[C@]1(C)C(=O)O[C@H](CCc2ccccc2)C[C@H]1O 2356696836 VJDFRABJMBBXJW-XAISMOLKSA-N 423.509 3.740 0 1 HHAF COc1cc(-c2cn([C@@H]3CCC[C@@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 84619039 UXTJPZLJPAQZEA-CTNGQTDRSA-N 422.533 3.704 0 1 HHAF C[C@H](CC(=O)c1cn[nH]c1)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 96172976 XEXUQQKWIRXTDJ-OAHLLOKOSA-N 403.486 3.721 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(Cl)cn2)c1 96905684 WWTOSJSDKOZKGJ-KRWDZBQOSA-N 422.920 3.731 0 1 HHAF c1ccc(CSc2ncccc2-c2nnc(SCCN3CCOCC3)o2)cc1 95586554 PTAOLUXBYPRRPG-UHFFFAOYSA-N 414.556 3.848 0 1 HHAF C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)Nc3cnn(CCN(C)C)c3)ccc1OC2(C)C 257286738 PMVDTKUNBORDPY-VMRPVKRXSA-N 412.534 3.724 0 1 HHAF CN(C)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352046 VWSSCCKVZIIXCY-QPPBQGQZSA-N 418.424 3.804 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Cl)cc2[nH]1 586945586 JKMKJRUHPRKZRH-AWEZNQCLSA-N 405.907 3.649 0 1 HHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(C[C@H]1CCCCO1)C(=O)C3 587105261 VJPKPGNCQMTQAW-MRXNPFEDSA-N 412.489 3.943 0 1 HHAF O=C(O)C1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587613052 XJRSMVZUXFWPIG-AUSIDOKSSA-N 402.358 3.610 0 1 HHAF CNC(=O)[C@H]1C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587234694 IBCRVNPFGPNLBV-NEPJUHHUSA-N 420.366 3.823 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580723 JBPYLKIBYKGMMP-ZOPAOIJZSA-N 405.454 3.541 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587258906 AHTPRXCPNDSHMT-ZDUSSCGKSA-N 407.396 3.683 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)cc1 587596115 QWBQQUCCOJSYMB-ZJSXRUAMSA-N 402.450 3.505 0 1 HHAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Br)cc3[nH]2)cc1 586925752 JDFOWZLYUBRVLF-UHFFFAOYSA-N 407.289 3.544 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 587762269 RWOKIBNCOSXMMU-BZNIZROVSA-N 417.278 3.850 0 1 HHAF COC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791363 HRZLNKNRVYFBMP-WYRIXSBYSA-N 408.267 3.764 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 587118634 PKPTUKQXYQAUNR-UHFFFAOYSA-N 417.185 3.570 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 587736620 SPBUHNVGDMEWPF-MGNBDDOMSA-N 405.246 3.672 0 1 HHAF Cc1c(O)ccc2c1[C@]1(C=C(c3ccccc3)Oc3ccc(O)cc31)N[C@H](C(=O)O)C2 963509459 NJXRRJAOIHATMJ-UQBPGWFLSA-N 415.445 3.682 0 1 HHAF CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)C(=O)N2 962966828 ATIQKFNDUZEYCD-QRWLVFNGSA-N 406.816 3.536 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3c[nH]nc3-c3cccs3)N12 962640074 NJZPFKYPFXBAET-KNQAVFIVSA-N 404.495 3.874 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@H](c1ncc(C)o1)N2C(=O)OC(C)(C)C 962711492 PKEZBCPXAOOSDH-HTAPYJJXSA-N 416.449 3.863 0 1 HHAF CCOC(=O)c1cc(NC(=O)Nc2cccc(F)c2)n(C[C@@H](O)c2ccccc2)n1 1772618715 VLPJCWGAHYJCSE-GOSISDBHSA-N 412.421 3.577 0 1 HHAF CCc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)c3cccc(C)c3n2)cc1 12078835 LUZOHUVDRXEXBV-UHFFFAOYSA-N 410.543 3.579 0 1 HHAF CN(C)C/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 14964898 DFQVTIQWMNGTMT-YFHOEESVSA-N 414.527 3.639 0 1 HHAF CC(=O)Nc1cccc2c1c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1 14975845 OCDPRZTVUBXJND-UHFFFAOYSA-N 411.546 3.797 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1cccc(Br)c1 8605839 XAKBVCXGLVGUBV-UHFFFAOYSA-N 400.198 3.873 0 1 HHAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 12653722 DKZPDNPWKHTWCC-DSWIYJMJSA-N 414.498 3.941 0 1 HHAF CC(=O)N1CCc2c(sc(N(C)C(=O)C3CC3)c2C(=O)c2ccccc2Cl)C1 13442692 XJIJOOIQQYUFJM-UHFFFAOYSA-N 416.930 3.910 0 1 HHAF CC(=O)CCCCC[C@H](NC(=O)c1snnc1C)C(=O)Nc1cccc(Cl)c1 36338721 KNHPYEJPCJWNMZ-INIZCTEOSA-N 422.938 3.777 0 1 HHAF CC(C)N1CCN(C(=O)c2ccc([C@H]3CC[C@@H](C(=O)O)c4ccccc43)cc2)CC1 38192510 QIFKQEXMAAANPV-NFBKMPQASA-N 406.526 3.947 0 1 HHAF CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(O)c2)N1C(=O)C(C)C 49807674 NWQGWFQMZIAQGH-UNMCSNQZSA-N 406.482 3.935 0 1 HHAF CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 64539020 BOEFEPHOQDRYQO-ZONZVBGPSA-N 414.549 3.995 0 1 HHAF CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2c1=O 66099662 BLTMBHPEZDHAHX-UHFFFAOYSA-N 401.846 3.897 0 1 HHAF CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(CC)n2)cc1 82069753 UQYTUHRTGXCTIU-UHFFFAOYSA-N 403.548 3.572 0 1 HHAF COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95893710 PSUJBPLGSPYZIK-WMTXJRDZSA-N 406.526 3.675 0 1 HHAF O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(Cc1ccccc1)C[C@H]2O 96167520 XGZOQJBQECHXJE-TZIWHRDSSA-N 420.431 3.575 0 1 HHAF CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 101541085 YHFYIWRVJLIUGZ-PKAUSPCKSA-N 413.537 3.647 0 1 HHAF C[C@@H]1CCCC[C@@H]1N(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 223895728 GVEYIRBPTHBSFV-OPYAIIAOSA-N 414.571 3.996 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C4CCCC4)n3)C2)cc1 261103255 GWSAIOFUMZLGMB-HTAPYJJXSA-N 423.561 3.710 0 1 HHAF O=C(O)CCc1ccc(Nc2ncc(Br)c(NC[C@@H]3CCCO3)n2)cc1 299852562 USOKMQLMVUCCHV-AWEZNQCLSA-N 421.295 3.591 0 1 HHAF COC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1OC 587002421 FFVBQEBTEVVYDB-UHFFFAOYSA-N 401.220 3.664 0 1 HHAF COc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Cl 587038937 VFEIKHIWYQIKMQ-VIFPVBQESA-N 403.895 3.973 0 1 HHAF CC[C@H](c1nc2ccc(F)c(F)c2[nH]1)n1cc(I)c(C)n1 587186122 RSMKJGXYZBLJPJ-LLVKDONJSA-N 402.186 3.950 0 1 HHAF COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648448 DVPJJLUOHLVLJQ-UHFFFAOYSA-N 422.300 3.716 0 1 HHAF Cn1nc(C2CC2)c2c(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc(C3CC3)nc21 587652898 NKBPPMVCWQYZAH-UHFFFAOYSA-N 419.872 3.775 0 1 HHAF Cc1cc(C(F)F)nn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658342 MGQWFRMPQAFPBT-UHFFFAOYSA-N 412.371 3.986 0 1 HHAF CCOC(=O)[C@H]1Cc2ccncc2[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961611866 DTNMVYSVHZJLQM-UTKZUKDTSA-N 413.315 3.501 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC)c(F)c21 1857601218 HUCBPMJLLDLZBU-UHFFFAOYSA-N 403.457 3.839 0 1 HHAF O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1nccs1 1857748753 OCOCOHVTFRNNSC-UHFFFAOYSA-N 402.501 3.715 0 1 HHAF O=C(N[C@@H]1CN(CC2CCCCC2)CCC[C@@H]1O)c1ccc(OCC2CC2)cc1 2356859605 SWFZWXNYZVHZJL-PKTZIBPZSA-N 400.563 3.611 0 1 HHAF Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Br)c(C)c3)sc2n1 3030659 OKZCTBBXICGXRB-UHFFFAOYSA-N 406.305 3.784 0 3 HHAF COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc(OC)c1 100106710 IBUGMZNJZNREHW-QEIWAGNOSA-N 401.510 3.706 0 1 HHAF CCOC(=O)/C=C/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 28365203 PJFVBMUDJOZQGK-GBMJPCLJSA-N 408.498 3.675 0 1 HHAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@@H](Cc3nc4ccc(OC)cc4[nH]3)C2)cc1 2356305894 QWMDPPRYYFGIIA-MSOLQXFVSA-N 423.513 3.736 0 1 HHAF COC(=O)/C=C\C(=O)Nc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1 29481489 IIPKTIYOIIDCGC-HJWRWDBZSA-N 406.438 3.511 0 1 HHAF CCC[C@H](C)Oc1cccc(N(Cc2cncnc2)S(=O)(=O)CC(F)(F)F)c1 28392286 YGPXEJFAKGUINH-AWEZNQCLSA-N 417.453 3.943 0 1 HHAF COc1cc(C(=O)O[C@@H]2CC[C@](C)(O)CCCC(C)(C)[C@H](O)C=C2C)ccc1O 2356677235 LIYLUZKKDZZNBL-KKLQWCBXSA-N 406.519 3.975 0 1 HHAF CC(=O)OC[C@H](CCC[C@H](C)CO)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O 14763681 DUFZWMGCTWBGSH-XRGAULLZSA-N 408.491 3.755 0 1 HHAF biogenic CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1c1c(Cl)c2cc(C)cc(C)c2oc1=O 1911577906 IUUXNRISIXEKCT-MRXNPFEDSA-N 406.818 3.515 0 1 HHAF O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 82204712 KBKKFWNSZLTRNZ-UHFFFAOYSA-N 423.344 3.783 0 1 HHAF O=C1Nc2cccc(F)c2[C@H]1Cc1cccc(C[C@H]2C(=O)Nc3cccc(F)c32)n1 84466187 VZOSPYPPZDALSI-HUUCEWRRSA-N 405.404 3.917 0 1 HHAF Nc1cc(-c2cccnc2)nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1 40412020 WIJFJYQZPKKYEV-UHFFFAOYSA-N 411.469 3.567 0 1 HHAF COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3ccc(C)cn3)cn1)CC2 95591401 WBJVBHMEDMBIGP-UHFFFAOYSA-N 404.470 3.617 0 1 HHAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 299884643 UELRQBVNZQLPNE-YNJGCUIUSA-N 400.906 3.955 0 1 HHAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C)cc5[nH]4)nc3n2)cn1 587130609 MZYJGYHFQWRHKU-UHFFFAOYSA-N 422.443 3.915 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587742624 AXSGPSQXSXAEAS-OVWNDWIMSA-N 405.267 3.567 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O 587450092 DHDWPISGOIUUBV-WREIHNQOSA-N 404.491 4.107 0 1 HHAF Nc1ccc(-c2ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3c2)cc1N 587034730 KGTSCJMQOVPNKX-UHFFFAOYSA-N 403.511 3.875 0 1 HHAF CCOC(=O)CNc1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587223846 GVYPAVCDYZTOAZ-UHFFFAOYSA-N 421.238 3.810 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(OC)nc1C)[C@@H](C2)C3=O 587411929 GICNEFKYVGPXFP-DJJJIMSYSA-N 404.260 3.833 0 1 HHAF C[C@@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338443 ODGRNCRNRSAHLH-OFNKIYASSA-N 407.397 3.985 0 1 HHAF Cc1ccc(-c2nnc(SCc3nc4ccc(OCCN(C)C)cc4[nH]3)n2C)cc1 586965388 KDDNXINERBYUHK-UHFFFAOYSA-N 422.558 3.900 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CS(C)(=O)=O)c1)CC2=O 587488395 QOSCYJPSPYJZQT-JOCHJYFZSA-N 418.511 3.779 0 1 HHAF CNC(=C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC 587744100 QQIZZHQRELIIJT-SZNDQCEHSA-N 418.354 3.955 0 1 HHAF COc1ccc2c(c1OC)[C@](CC1OCCO1)(c1ccc(Cl)nc1)N(C)[C@H](C)C2 962564067 GNUYSHASLMPPLO-PEBXRYMYSA-N 418.921 3.635 0 1 HHAF CC(C)(C)OC(=O)N[C@H](CC(F)F)[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730799 PHCWUYKAHIOIJK-NFAWXSAZSA-N 422.394 3.922 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C)cc1 169350246 RGXHYVLKPIMSOL-LAWYVVDDSA-N 410.510 3.979 0 1 HHAF CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccncc2)c1 169690265 BULLYBBNUCPTFB-LEWJYISDSA-N 418.449 3.533 0 1 HHAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697259 WMLONRUBOXAPOV-IZAXUBKRSA-N 401.551 3.815 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F 3812303 UUQKZYUOWKVERG-CIWJSOGRSA-N 403.903 3.936 0 1 HHAF Cc1cccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccccc3C)cc2)c1 1857620257 OZQZTKMERDKMCC-UHFFFAOYSA-N 408.523 3.712 0 1 HHAF CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OC)CC1 4057640 QVUADLCPMUWKHH-UHFFFAOYSA-N 421.497 3.755 0 3 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC 4152029 LTJMEAZCNFYDGA-GMAHTHKFSA-N 409.530 3.635 0 1 HHAF Cc1ccc(CNC(=O)[C@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)cc1 8605123 DPVCSNZBABJMKY-SFHVURJKSA-N 414.509 3.896 0 1 HHAF CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 103766404 MWLHLHGTQWVLGE-RQUSPXKASA-N 402.516 3.591 0 3 HHAF CCCCC[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 26826570 TTXUYTXVESVGKP-UGKGYDQZSA-N 420.575 3.578 0 1 HHAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)O)c2c1C 118736763 HRPHSWQZXLOXIW-VIFPVBQESA-N 405.407 3.521 0 1 HHAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccccc3Cl)CC1)OCC2 27887192 UDCOWMWGPHMEML-QFIPXVFZSA-N 402.922 3.793 0 1 HHAF C[C@H]1CC[C@@H](Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1 118561263 NJSXHZBXICPOJY-PKOBYXMFSA-N 413.481 3.888 0 1 HHAF Cc1ccc(S(=O)(=O)n2ccc3ccc(N4CCN5CCCC[C@@H]5C4)cc32)cc1 29466761 NYKLQLBVLXTGSG-OAQYLSRUSA-N 409.555 3.861 0 1 HHAF COc1ccc(CN(C)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@H](C)O)cc1 61924210 RYTDGUXTMZYRKI-WBLNZAHASA-N 419.569 3.977 0 3 HHAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN([C@H]3CCCNC3)C2)c2ccccc21 73224360 ABNVVKAVWJYHCL-UQBPGWFLSA-N 418.516 3.663 0 1 HHAF O=C1C(=O)N(c2ccccc2)C(=S)N1CCCNc1ccnc2cc(Cl)ccc12 40879116 ZQPIUUMDQPIDNU-UHFFFAOYSA-N 424.913 3.851 0 1 HHAF O=C(c1ccc(Br)o1)N1CCCC[C@H]1c1nnn(-c2cccc(F)c2)n1 49785382 MHQDXRYZTJDYMG-ZDUSSCGKSA-N 420.242 3.524 0 1 HHAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CCCN1CCOCC1 40405859 INJIFDPCVMQRAW-UHFFFAOYSA-N 411.505 3.843 0 1 HHAF CCCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195301098 BARMHYIDIPSZOD-IXQZBMMPSA-N 423.553 3.786 0 1 HHAF CN(c1ccc([C@@](O)(c2ccc[nH]2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84605381 YEYQMXNOVYDPJP-GOSISDBHSA-N 410.417 3.638 0 1 HHAF COCON1C(=O)/C(=C\C(C)C)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O 84652339 XCHKKYXFJUEUEC-AMUNLKFJSA-N 408.498 3.544 0 1 HHAF O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 82208480 WHFHIXXCLPXMIZ-QFIPXVFZSA-N 424.504 3.685 0 1 HHAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185381 IEAAHZXTQLEWGE-UHFFFAOYSA-N 407.449 3.900 0 1 HHAF CN1O[C@@]2(N=C1N)c1cc(-c3ccnnc3)ccc1CC21CCc2ccccc2CC1 141900353 UITLVASCSAREDX-VWLOTQADSA-N 411.509 3.610 0 1 HHAF COc1cnc2ccc(C(F)(F)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1 144501139 IWKHVILIVVOFFJ-UHFFFAOYSA-N 424.386 3.966 0 1 HHAF Cc1ccccc1[C@H]1[C@@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299868674 SCYUPMFTYFIJTQ-OFNKIYASSA-N 419.506 3.617 0 1 HHAF COc1cc([C@H]2[C@H](c3ccc(O)cc3)C(=O)N2c2ccc(O)cc2)cc(OC)c1OC 299828543 QKLDKBVOBCLOPO-VXKWHMMOSA-N 421.449 3.995 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)O2 587388726 GHEJFULLMQSYMP-JLCFBVMHSA-N 404.507 3.621 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(C2(Cl)CC2)[C@@H]1c1ccc(F)cc1 587324912 AVFKPIHMBIRCNR-WIYYLYMNSA-N 413.836 3.692 0 1 HHAF N[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCOC1 587248073 BVJSBPJZBAGVMM-GOSISDBHSA-N 408.355 3.547 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2c(Br)cc(F)cc2[nH]1)C(F)(F)F 587126472 BOKPMZRAQZHLAL-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586972319 HFTKCQCKVZXMRT-OAQYLSRUSA-N 412.559 3.614 0 1 HHAF COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1OCC(=O)NC(C)C 587226674 XASKVPJMMSSEKX-UHFFFAOYSA-N 409.273 3.844 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587378461 VHAOXNSUTQBUSA-GGAORHGYSA-N 424.449 3.963 0 1 HHAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587147674 XMNCTEBHKKJGCO-UHFFFAOYSA-N 413.796 3.550 0 1 HHAF COC(=O)CC[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577094 JAPTZMJBJWYTSC-XUZZJYLKSA-N 419.433 3.785 0 1 HHAF COC(=O)c1cc(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587421032 ZONFWINAAUHQAH-KDOFPFPSSA-N 403.228 3.733 0 1 HHAF CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)n1 587378846 WPYBKIPWRIXFCZ-DYESRHJHSA-N 411.458 3.900 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585941 ITEWEDNYEINEDC-OFNKIYASSA-N 405.406 3.598 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)([C@@H]2CCCNC2)N1 587790360 CGFQRYUBSZWYKR-WAWZGNHOSA-N 404.327 3.761 0 1 HHAF Fc1cc2c(c(Cc3nc4ccc(I)cc4[nH]3)c1)OCOC2 587171324 MGYGAQXRLGJYTM-UHFFFAOYSA-N 410.186 3.764 0 1 HHAF CCOc1ccc(-c2nn(C(=O)[C@@H]3OCC[C@@H]3C)c(=O)c3ccccc23)cc1OCC 587672310 UASKYLNXOVGBIA-OYHNWAKOSA-N 422.481 3.926 0 1 HHAF CCn1ncc(C(=O)C[C@]2(C(F)F)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1C 962639024 XULSROUSNGSAQA-MCMMXHMISA-N 421.488 3.838 0 1 HHAF CCNC(=O)Nc1ccc(-c2cc(N3CCOC[C@@H]3C)c3nc(C)n(CC)c3n2)cc1 1772594092 IMTGROPFAUHZKC-HNNXBMFYSA-N 422.533 3.793 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(COc2ccc3cc[nH]c3c2)cc1 1772597411 JGIFQWPISAXAGW-UHFFFAOYSA-N 410.499 3.898 0 1 HHAF CC[C@@H](F)c1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12 1772630917 DVBYRXABPPROLJ-GOSISDBHSA-N 412.465 3.802 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)c(Br)c1Br 1772610834 ZCLLRMAUZWJJOZ-WCBMZHEXSA-N 422.113 3.971 0 1 HHAF COc1cc2c(cc1OC)CN(c1ncnn3c(C)nc(-c4ccccc4C)c13)CC2 169711694 UNHQCQWHTYOHHH-UHFFFAOYSA-N 415.497 3.988 0 1 HHAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccc5[nH]ccc5c4)c(=O)n1c23 1857589422 MEYXAOLBKLVODB-LBPRGKRZSA-N 405.429 3.765 0 1 HHAF COCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 2489486 DXRPDDOBITUDJR-TZIWHRDSSA-N 416.562 3.748 0 1 HHAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC 4049535 BHELPVDWHSEXAE-ICSRJNTNSA-N 412.486 3.721 0 1 HHAF COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC/C=C/c3ccccc3)C4)c2n1 28817526 JYMRFCRBQWHWTF-FKIZTMCRSA-N 411.509 3.984 0 1 HHAF Cn1c(=O)c2cc(NC(=S)NC3CC3)ccc2n1Cc1cccc(C(F)(F)F)c1 61902450 PCMCZRIUNYZPNA-UHFFFAOYSA-N 420.460 3.856 0 3 HHAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@H](Cc3nc4ccc(OC)cc4[nH]3)C2)cc1 2356305895 QWMDPPRYYFGIIA-QZTJIDSGSA-N 423.513 3.736 0 1 HHAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)([C@H](O)[C@@H]4[C@@H]4O[C@@H](C)[C@@H](C)O4)[C@@]3(C)CC[C@]2(C)CC1 2356702391 AKDMKHJGBWDSQM-XBLVUBNSSA-N 406.563 3.774 0 1 HHAF Cc1c(C(=O)N2CCN(C)CC2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 20490113 FGTGYUJMYJRYIX-UHFFFAOYSA-N 424.932 3.639 0 1 HHAF CCCN1CC(=O)N2C[C@@H](c3ccccc3OC)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2138679 XSDVNIXEUKAVPT-AVRWGWEMSA-N 417.509 3.618 0 1 HHAF biogenic CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(CC(F)(F)F)nc12 38309114 TVWUSMPKIYMOFZ-UHFFFAOYSA-N 419.386 3.628 0 1 HHAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)[C@H]1[C@@H](O2)OC(C)(C)[C@@H]1OC(C)=O 40864203 YRLRQNVYUYVRRD-RLTFZFDCSA-N 424.449 3.944 0 1 HHAF COc1c(O)ccc(CCC(=O)C[C@H](O)CCCO)c1-c1ccc2ccc(O)cc2c1 85597465 SNNVMMGOTACRGZ-HXUWFJFHSA-N 424.493 3.952 0 1 HHAF biogenic,in-vitro CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196342 AIKSMGMEVJKESX-GFCCVEGCSA-N 424.467 3.875 0 1 HHAF N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 142222262 KUAWAPSIDJAYOE-ZEQRLZLVSA-N 412.599 3.548 0 1 HHAF CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccccc2)N2C(=N1)Sc1ccccc12 96932860 BPSQNIJORMQLFV-NRFANRHFSA-N 404.539 3.758 0 1 HHAF COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1 261180587 VZYNWYMVDBVPAI-UHFFFAOYSA-N 404.938 3.875 0 1 HHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 586948687 SHMXIMAOWPZZHM-UHFFFAOYSA-N 419.816 3.842 0 1 HHAF NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783474 BNVSLEAJMYRKFZ-MDWZMJQESA-N 405.479 3.960 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(OC)cc(Br)cc1OC)[C@@H](C2)C3=O 587412100 HHXVBBKTUQXETL-BUXKBTBVSA-N 405.244 3.964 0 1 HHAF Nc1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(-c2ccc(Cl)cc2)s1 587653068 CAEBINWVRBPPHR-UHFFFAOYSA-N 417.277 4.098 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 586958092 GASDWOWESJHFFH-VHSSKADRSA-N 400.479 3.792 0 1 HHAF Cc1cc2c(Br)ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2o1 587003890 NUDXNIKOKKYYCO-UHFFFAOYSA-N 406.261 3.694 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C(F)(F)F)cc(Cl)cc41)[C@@H](C2)C3=O 587424571 ZZIYHBLIPGEJAI-KPZWWZAWSA-N 409.747 3.962 0 1 HHAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182812 POPUICACBZBLPI-KDOFPFPSSA-N 419.827 3.906 0 1 HHAF CCC(CC)[C@]1(CC2OCCO2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962658309 CNGDMIJWXYBOOK-DNQXCXABSA-N 412.530 3.728 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@H](O)[C@H](F)C1 1772611738 UGTQZSTXWDRYAP-PBHICJAKSA-N 421.350 3.596 0 1 HHAF CCCc1ccc2oc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C)c2c1 12593076 SKQYMKGGLVQSRN-UHFFFAOYSA-N 411.546 3.640 0 3 HHAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3cccc4c3OCCO4)CC1)CC2 13743692 HCTAODVYUQIKOR-GOSISDBHSA-N 424.541 3.717 0 1 HHAF O=c1n(CCCCCCCCNC[C@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725390 ZEFKDHHHXIOEJQ-HXUWFJFHSA-N 413.562 3.626 0 1 HHAF CCC(=O)c1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2 1857538117 OIGMBFYQAGWUMY-UHFFFAOYSA-N 408.474 3.978 0 1 HHAF C[C@]12CC[C@H]3[C@@H](Cc4nnnn4[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 1857770217 LVJNFKNXLSZTAB-FQFVHWNASA-N 405.546 3.852 0 1 HHAF Cc1nc2ccc(S(=O)(=O)CCC(=O)N[C@@H]3CCCc4ccccc43)cc2s1 9116873 BTKNERLTSYDJOM-GOSISDBHSA-N 414.552 3.962 0 1 HHAF COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H]2CCc3ccccc32)cc1OC 26579583 DZLNOHGOGHSKMG-NRFANRHFSA-N 424.522 3.977 0 1 HHAF COc1cc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2cc1OC 103227632 UQYLVXHXPQVVAH-UHFFFAOYSA-N 424.472 3.988 0 1 HHAF COc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C(=O)O)cc1)[C@H]2c1ccccc1 115731361 SOJMQGNUYPSHEH-QFIPXVFZSA-N 423.490 3.730 0 1 HHAF COc1ccccc1CN1C(=O)[C@@H](Cc2ccccc2)ON=C1c1ncccc1C 61904633 WQNLPKAPSCPSCN-OAQYLSRUSA-N 401.466 3.731 0 3 HHAF COc1cccc2nc(C[C@@H]3CN(C(=O)C4CCCCC4)CC[C@H]3CC(=O)O)[nH]c12 2356743485 GHSXIQMNOPGDKZ-DLBZAZTESA-N 413.518 3.634 0 1 HHAF CC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1 40860333 PIOQZNSXCAHYPA-UHFFFAOYSA-N 400.404 3.984 0 1 HHAF CS(=O)(=O)c1ccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)cc1 220908305 LKBFTNVRLKRYDN-UHFFFAOYSA-N 412.302 3.871 0 1 HHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(C(F)(F)F)cc1F 221675170 RYHKACMYIHVDLT-IMSIIYSGSA-N 414.359 3.514 0 1 HHAF COc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1C 84710326 HZJKMWLSZBEWRI-UHFFFAOYSA-N 408.527 3.789 0 1 HHAF CN(C)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069562 PTIOSLMXEZOGCB-GOSISDBHSA-N 415.559 3.547 0 1 HHAF C[C@@H]1c2nnn(-c3cncnc3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225972150 ZVOHWWVFRYXDBT-SNVBAGLBSA-N 420.782 3.917 0 1 HHAF Cc1cc2nc(-c3cc(-c4cccc(NS(C)(=O)=O)c4)cnc3N)[nH]c2cc1C 45323086 PGOAYEROFGITIX-UHFFFAOYSA-N 407.499 3.862 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 95873214 LSOIOBVNZPBSCS-SMIHKQSGSA-N 408.517 3.654 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)C(=O)[C@@H](C)[C@@H](C)C2 49071905 OCNZCMPOJIYNQT-QWRGUYRKSA-N 402.443 3.810 0 1 HHAF biogenic C[C@H]1CN(Cc2ccc(C(=N)N)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653738922 TZABBIBQCFRLLV-IBGZPJMESA-N 419.573 3.509 0 1 HHAF CC(C)(C)[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361587 WLPXTJJRIHHSMG-NQIIRXRSSA-N 406.475 3.720 0 1 HHAF CCOC(=O)C[C@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC 587524406 NWQCCFPDHQSWPZ-WAIKUNEKSA-N 402.487 3.812 0 1 HHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587785876 PGNKQFSQJLEQRO-IAGOWNOFSA-N 415.453 3.566 0 1 HHAF O=C(/C=C/c1nc2cc(Br)cc(C(=O)O)c2[nH]1)Nc1ccc(F)cc1 587167825 XPPGOXLDSBSTAD-AATRIKPKSA-N 404.195 3.815 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070606 SJQIKVCHOPIACF-OAHLLOKOSA-N 420.966 3.532 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccccn4)cc1)[C@@H](C2)C3=O 587432037 JPISCDOVOJDDMW-MHECFPHRSA-N 416.433 3.596 0 1 HHAF CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587511048 IOUJUGVMFCWLDB-QHCPKHFHSA-N 417.502 3.747 0 1 HHAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccnc(Cl)c2[nH]1 586945766 LJRVWLAFWRAWSZ-UHFFFAOYSA-N 410.933 3.880 0 1 HHAF COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807281 KSOLFQNUIOWPII-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587006622 KBFMSCSXIKULGE-UHFFFAOYSA-N 400.685 3.834 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(=O)(=O)c2ccccc2)N1 587847722 HDNXXTADFROWSO-SGTLLEGYSA-N 412.324 3.812 0 1 HHAF C[C@@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537919 BTKQAUUJQDLWEG-DNVCBOLYSA-N 413.227 3.822 0 1 HHAF COC(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334660 FRNFXVGAJXCSRF-GGAORHGYSA-N 407.397 3.744 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(I)cc1)[C@@H](C2)C3=O 587429411 VAFRRIRSGPFSOD-KBXCAEBGSA-N 406.219 3.963 0 1 HHAF COc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)nn1-c1ccccc1F 587156478 OOMBUDBPCJQLGQ-UHFFFAOYSA-N 406.190 3.860 0 1 HHAF OC[C@@]1(c2ccc(F)cc2F)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640636 RBGMNOJTWAQDMC-OFVILXPXSA-N 406.476 3.948 0 1 HHAF CCOC(=O)CCC[C@@]1(C(C)C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980370 UJKVTJVNUTUPHZ-KUHUBIRLSA-N 403.853 3.802 0 1 HHAF CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(N)=O)cc2)c(O)c2ccccc21 1772579043 SPJCFYZVICROLS-UHFFFAOYSA-N 407.470 3.639 0 1 HHAF O=C(NCc1cccnc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 12566044 UUXOCTNHZXOEGT-PDWMJMLSSA-N 415.415 3.794 0 1 HHAF Cc1cc(C(=O)O)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21 13445428 QQRLVNGJKMMEMW-POHAHGRESA-N 413.796 3.840 0 1 HHAF COc1ccccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 13732874 LCXMDFBFVZFXEB-JOCHJYFZSA-N 414.465 3.657 0 1 HHAF CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 169688625 KDZMTMYRXNYKBE-DLBZAZTESA-N 410.451 3.599 0 1 HHAF CCN(Cc1ccccc1)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167183789 QADTYKVSGGSTQL-UHFFFAOYSA-N 401.510 3.902 0 1 HHAF COc1cccc(C(=O)/N=c2\scc(-c3cc(OC)c(OC)c(OC)c3)n2C)c1 207473129 BKBOJBQJFDNIKM-DQRAZIAOSA-N 414.483 3.529 0 1 HHAF Oc1cccc(N=c2[nH]c(Nc3ccc(N4CCOCC4)cc3)nc3c2SCC3)c1 1857617282 RGXSEFXUJCQYBH-UHFFFAOYSA-N 421.526 3.576 0 1 HHAF CCc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnccc2c1 1857758311 MUSHSSGZXVTTRI-UHFFFAOYSA-N 404.514 3.917 0 1 HHAF CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCc3ccccc3)c2n1 4239011 VUVDCHYZIDWNFN-UHFFFAOYSA-N 407.424 3.806 0 1 HHAF CC[C@@]1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1 24545150 BHXQPTQYAMMHQJ-IBGZPJMESA-N 404.513 3.815 0 1 HHAF CC1=CC(=O)O[C@@H]1[C@@H](O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)C[C@@]1(C)O 40424800 FPTHFNAIWCRDNZ-BJCRYDPESA-N 420.590 3.910 0 1 HHAF COCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1 82132747 NUULIYAUABKNQI-UHFFFAOYSA-N 420.513 3.573 0 1 HHAF COc1ccc2c3ncn(CCCN4CCN(C5CCCCC5)CC4)c(O)c-3nc2c1 103533934 FLXLCNDDRPVYHB-UHFFFAOYSA-N 423.561 3.591 0 1 HHAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-n2cccn2)n1 166852212 HCZHZFFMGNOCCI-GOSISDBHSA-N 406.486 3.928 0 1 HHAF Cc1nc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2cc1Br 586920642 OPLOBSJMFASBCK-UHFFFAOYSA-N 420.332 3.534 0 1 HHAF Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br 587169724 ISUZPZFYTLRMOO-UHFFFAOYSA-N 412.284 3.594 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348190 MWIYLCGUDXRIET-NZQKXSOJSA-N 414.429 3.807 0 1 HHAF CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527466 WYEVHHURJGYVIY-JPYJTQIMSA-N 402.487 3.812 0 1 HHAF Nc1ncc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543782 JKGNVBFCDRJBKU-CRAIPNDOSA-N 413.227 3.835 0 1 HHAF O=C(c1nnc(O)c2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659940 LHFCHOMFBOCVAG-UHFFFAOYSA-N 412.380 3.540 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587716769 DWPOHIGGGBFCJV-HUTHGQBESA-N 416.241 3.589 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N(C)C)N1 587744434 ZXDOSOMYDVOXEN-YUNKPMOVSA-N 421.310 3.679 0 1 HHAF COc1cc2c(cc1OC)[C@](C(=O)OC(C)(C)C)(C1=COCCC1)N(C)[C@H](C)C2 962616980 BPCWRTIRDKUGLZ-CMJOXMDJSA-N 403.519 3.812 0 1 HHAF COc1ccc(F)c([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1OC 962674136 VPPRIKCAWYXEDQ-CVDCTZTESA-N 410.445 3.579 0 1 HHAF COC(=O)[C@@H]1[C@H]([C@@H]2c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)C1(F)F 963300657 GQSDISMFLLJGCU-AABGKKOBSA-N 405.416 3.988 0 1 HHAF CCOC(=O)c1cc(NC(=O)Nc2ccc(F)cc2)n(C[C@@H](O)c2ccccc2)n1 1772652791 RHUCNCKDPVLRFN-GOSISDBHSA-N 412.421 3.577 0 1 HHAF COc1cc(OC)c2c(=O)cc(C(=O)Nc3cccc(-c4nccs4)c3)[nH]c2c1 1857644353 LVFSSZIIFWSOMH-UHFFFAOYSA-N 407.451 3.921 0 1 HHAF C[C@H](CO)CCC[C@H](C)[C@H]1[C@H]2CC[C@H]3[C@H]([C@H](O)C[C@H]4C[C@@H](O)CC[C@H]43)[C@@H]2C[C@H]1O 2356426670 FSTVCFLDBGZBCG-FRTHRCLPSA-N 408.623 3.602 0 1 HHAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 61903447 PONZCJKRTLJFLS-XMMPIXPASA-N 417.465 3.876 0 3 HHAF COc1cc(C=O)c(-c2cc3c(cc2[C@@]2(C)OCCS2)OCO3)c(OC)c1OC 1630781 FUPMCOHFJPKVFD-NRFANRHFSA-N 418.467 3.857 0 1 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCOC 4055354 JACYBLGQGVJJDG-TZIWHRDSSA-N 416.905 3.983 0 1 HHAF c1ccc(NCC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)nc1 13802586 SYTXFJLANOSNFM-UHFFFAOYSA-N 415.545 3.900 0 1 HHAF C[C@H](O)C=C[C@](C)(O)[C@@H]1CC[C@@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@@H]3CC[C@@]21C 14950103 QZAMIRPHNVBTIV-ATUIGREWSA-N 400.559 3.713 0 1 HHAF biogenic NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2noc3cc(F)ccc23)CC1 26494490 LIWHOEWNGHFGGB-OAQYLSRUSA-N 421.472 3.859 0 1 HHAF O=C1OCC2=C1[C@H](c1cncc(-c3ccc(F)cc3)c1)c1cc3c(cc1N2)OCO3 40408562 PINNSKJGVFYRNL-OAQYLSRUSA-N 402.381 3.985 0 1 HHAF CCOC(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1cc(Cl)ccc1N 40563944 RHEJIYOUZUXYKT-UHFFFAOYSA-N 413.282 3.944 0 1 HHAF O=c1c2ccccc2nc2n1CC[C@H]2Cc1ccc(OCCN2CCCCC2)cc1 40892607 VSHZTCRSNWRICE-FQEVSTJZSA-N 403.526 3.991 0 1 HHAF CN(C)CCCC(=O)Nc1n[nH]c2cnc(-c3cncc(-c4ccccc4)c3)cc12 84688267 ALQHBSLUNWBWJG-UHFFFAOYSA-N 400.486 3.967 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3snnc3c2)n1 144035225 LEYLKYWEMMCISZ-QGZVFWFLSA-N 421.482 3.874 0 1 HHAF CCCc1c(O)ccc2c1OC(CCC(=O)OCC)(CCC(=O)OCC)CC2=O 146697412 MTKBZDFGZMVXGU-UHFFFAOYSA-N 406.475 3.735 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@H]3CC[C@@]21C 169325330 ZMAIFLOHRXCDQS-UNDDAMEXSA-N 418.622 3.959 0 1 HHAF O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 169727297 YTWPJUDJRFHXEK-GMAHTHKFSA-N 413.477 3.685 0 1 HHAF O=C(Cc1ccc(F)cc1)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 205790639 GCUYSCRDNLRJNF-ISKFKSNPSA-N 419.500 3.824 0 1 HHAF Oc1ccc2c(c1)[C@]13CCN(CC(F)F)[C@@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3 221585023 WJAZOGGWHZTMKA-ICDZXHCJSA-N 422.475 3.604 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299874949 CFQIMGCYJGHZIT-LQOJQYNMSA-N 410.514 3.700 0 1 HHAF COc1cccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2c2nc(O)c3ccccc3n2)c1 299878597 JINWDJLLNCPHMH-LVNJIZSUSA-N 401.466 3.566 0 1 HHAF CN(C)C(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042480 KUVDSTSWYBFEKG-INIZCTEOSA-N 400.891 3.574 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccnc(O)c3[nH]2)c1 587049153 PHYYOKHXRWIXOY-UHFFFAOYSA-N 401.854 3.627 0 1 HHAF O=C(CSCc1nc2cnc(Cl)[nH]c-2n1)Nc1ccc(C(F)(F)F)cc1 587112795 CWTUJOJXDQHLIC-UHFFFAOYSA-N 401.801 3.849 0 1 HHAF Cc1c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166538 VUPSPENEOPXHAD-UHFFFAOYSA-N 412.490 3.933 0 1 HHAF COC(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334657 FRNFXVGAJXCSRF-FYYLOGMGSA-N 407.397 3.744 0 1 HHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I 587387500 SRIJDZYJCHUIFT-MRXNPFEDSA-N 409.223 3.897 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)O2 587391235 LUIWMGZNJYUIJF-MYYSRTQBSA-N 404.466 3.910 0 1 HHAF COc1cc2c3c(c1)O[C@]1([C@H]4CC[C@H]1N(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O 587436624 SJMGAKKZTDSXGO-FAWRGENLSA-N 405.450 3.612 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587451691 QZDABPMWLNUQRZ-DFBJGRDBSA-N 412.397 3.629 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCN(C(C)=O)CC1)CC2=O 587476578 VQDOBUVUKNJIBE-HSZRJFAPSA-N 408.498 3.720 0 1 HHAF C[C@@]1(c2cc(N3CCC(O)CC3)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587515566 VCNSMSWUBXAIAA-VWLOTQADSA-N 406.526 3.989 0 1 HHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC(=O)O 587591041 FMQQNOXVOPAYQZ-URXFXBBRSA-N 420.417 3.905 0 1 HHAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)n1ncc2ccc(Cl)cc2c1=O 587654269 JQRQXEREEKPKQM-MRXNPFEDSA-N 417.893 3.727 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@@H](c3ccccc3)C2)N1 587799829 ZATRUEAZBRANIM-LIUKBUMOSA-N 403.295 3.969 0 1 HHAF COc1cc(C)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799865 ZKWUUENBRSATGD-APBUJDDRSA-N 405.267 3.635 0 1 HHAF CC(=O)SCc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O 587939225 JGRGQSUPHQBDHJ-HNNXBMFYSA-N 413.337 3.744 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 587951215 GBPKMHNTJMVAJQ-GTPINHCMSA-N 423.579 3.719 0 1 HHAF O=c1c(Nc2cc(F)c(F)c(F)c2)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1=O 653842890 ZHLLXASCJBWVEQ-HZPDHXFCSA-N 407.436 3.653 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@](c2ccc(F)cc2)(c2cnccn2)N1)C(F)(F)F 962731217 QHKSBZJTWXLYMK-FXAWDEMLSA-N 401.363 3.553 0 1 HHAF Oc1ccc2c(c1)[C@]1(C=C(N3CCOCC3)Oc3c1ccc1ccccc31)NCC2 963354694 YJRKWDLHIAEFJA-RUZDIDTESA-N 400.478 3.501 0 1 HHAF NC(=O)c1cc2ccc(OCC(=O)O)cc2n1CCCOc1cccc2ccccc12 1772572292 UFFRQRIVSNLQQG-UHFFFAOYSA-N 418.449 3.826 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](Cc1cc[n+](Cc3ccccc3)cc1C(C)=O)C2 1772590718 RCDHLIBZXYWMNZ-OAQYLSRUSA-N 416.497 3.840 0 1 HHAF COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCCN=c1ccnc(NCC(C)C)[nH]1 1857583734 QZKCXZXKILSKBR-OAQYLSRUSA-N 422.577 3.926 0 1 HHAF CC(C)Cn1cc(/C=C2\C[C@](CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 1857748173 TUTVKAOMRMMGTD-GOOYREHVSA-N 413.514 3.948 0 1 HHAF COC(=O)[C@@]12C[C@H]3C[C@H](C(C)C)[C@H]1N(CCc1c2[nH]c2cc(OC)c(OC)cc12)C3 2356374815 HDMZJSUFXDYYFB-KDTJFOSMSA-N 412.530 3.518 0 1 HHAF COC(=O)C1=CCC[C@](C)(OC)[C@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 2356415085 ZCQHIVUOFDKQRZ-OFNKIYASSA-N 408.535 3.888 0 1 HHAF COc1ccc([C@@H]2C[C@@H](c3cc(O)c(OC)c(OC)c3)[C@H](OC)CO2)cc1OC 2356665028 RBYCDKILRBFDGS-UQASEVPWSA-N 404.459 3.687 0 1 HHAF O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@@H]3[C@H](C(F)(F)F)N2N1 38171160 IQDPLDKEGCGPJG-KANYHAFZSA-N 400.351 3.509 0 3 HHAF COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2c2nnnn2C2CCCC2)c1 95605730 PCGIWSSBQPYFGY-NRFANRHFSA-N 419.485 3.551 0 3 HHAF CC[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)C2(OCCCO2)c2ccccc21 3041973 MOMFZIJODJNFIY-QGZVFWFLSA-N 400.862 3.694 0 1 HHAF CSc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2 3813508 LGVVEFQWWBTSHP-GOSISDBHSA-N 411.571 3.632 0 1 HHAF OCC(CO)OCn1c(SCc2ccccc2)nc2c(Cl)c(Cl)ccc21 5934251 LTANKAMUWCMCKC-UHFFFAOYSA-N 413.326 3.963 0 1 HHAF COC(=O)C[C@@H]1C(=O)O[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@@H]1COC(C)=O 14959865 PPHCXQBJUPKZTK-FZUMPVBHSA-N 408.535 3.903 0 1 HHAF biogenic OCCN1CCN(CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 22461016 HEOKVTVEOGBPRI-JOCHJYFZSA-N 418.990 3.662 0 1 HHAF CC(C)C[C@@H](NC(=O)[C@H]1CS[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 28818178 PMHNFWJIPVUVTO-NUJGCVRESA-N 422.547 3.653 0 1 HHAF O=S(=O)(Nc1ccc(F)c(-c2c(O)ccc3c2OCO3)c1)c1ccc(F)cc1 45495800 SZTDODCDMDELIX-UHFFFAOYSA-N 405.378 3.867 0 1 HHAF CCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12 88345737 FOCBHADBMOWBDG-UHFFFAOYSA-N 424.508 3.940 0 1 HHAF O=C(C1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95877359 NIYISRRIBSVVNJ-PMOQBDJRSA-N 410.489 3.595 0 1 HHAF CNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(C)c2[nH]1 144301093 XIUGWAOBRYGENK-UHFFFAOYSA-N 402.458 3.578 0 1 HHAF O=C(NCCc1ccccn1)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 148330918 ACVWWPWPRZYRKQ-UHFFFAOYSA-N 412.453 3.775 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCSCC1 169714105 QLGRLIPMYCDDEH-XEAGOBSMSA-N 402.604 3.834 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCC[C@H]4C)n3)C2)cc1 231380243 BQNVISGXQOUTDA-KGVIQGDOSA-N 408.546 3.925 0 1 HHAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc2ccccc12 253819948 ZICGUURZNAJJKQ-HDICACEKSA-N 407.493 3.988 0 1 HHAF N=c1[nH]c2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc-2c(Cl)[nH]1 587052559 VFSHRONKVNQILX-UHFFFAOYSA-N 421.675 3.554 0 1 HHAF COc1ccc(I)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587388014 ZAJHCPINLXBMNI-INIZCTEOSA-N 409.223 3.897 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 587400844 RWBNLGZLJKZTOH-DEOSSOPVSA-N 409.482 3.885 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587440296 YAWBVKUPLVBECO-BTCOZLQPSA-N 407.466 3.860 0 1 HHAF COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445107 WWGSJXOCTZTWQC-NLFFAJNJSA-N 416.429 3.879 0 1 HHAF C[C@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590916 DENQWWNJMFTSHL-XUZZJYLKSA-N 418.449 3.501 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(F)ccc2F)N1 587714919 GMGYZOYREWCJIC-WNWIJWBNSA-N 400.194 3.729 0 1 HHAF CCOC(=O)c1cc(Br)c2nc(C(=O)Cc3ccccc3OC)[nH]c2c1 587932865 ZWOKAOQCDHHUDN-UHFFFAOYSA-N 417.259 3.936 0 1 HHAF Cc1ccc2c(c1)[C@]1(NCCc3c1c(C(C)C)nn3C)c1cc(C(=O)O)c(C)nc1O2 962924196 WDGKXFMYJWJLII-DEOSSOPVSA-N 418.497 3.797 0 1 HHAF O=S(=O)(c1cccs1)N1CCC2(CC1)NCCc1c(Cl)cc(Cl)cc12 963119729 HQVOLXCYIUXPAW-UHFFFAOYSA-N 417.383 3.881 0 1 HHAF CCCC[C@H](CC)CNC(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224149 IEXKWPGUHKHEQO-LYAKXMMSSA-N 411.546 3.772 0 1 HHAF O=C(O)CCc1ccc(OC[C@H]2COc3ccc(Br)cc3O2)cc1F 1857656074 GPUXLVHEZFSPAZ-AWEZNQCLSA-N 411.223 3.824 0 1 HHAF CN1C(=O)[C@](NC(=O)OC(C)(C)C)(C(F)(F)C(=O)c2ccccc2)c2ccccc21 1911580070 CTRGGFLPZAKEMQ-NRFANRHFSA-N 416.424 3.901 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@@H]2[C@@H]1O 2356821536 GBZKBMKOFSFJKG-IDBGCYGXSA-N 406.611 3.645 0 1 HHAF CN1C(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc(Cl)ccc32)c2ccccc21 206045531 KJYWTMQSMSQPTF-URXFXBBRSA-N 418.880 3.835 0 3 HHAF COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 763100 VEZJWRWHMYIMSQ-NRFANRHFSA-N 410.514 3.560 0 1 HHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc(C(C)=O)c2)C(=O)[C@@]31C 2112050 LXSVTTHABSTSBV-HSZRJFAPSA-N 403.438 3.619 0 1 HHAF biogenic CCCN1CCN(c2ncnc3sc(C(=O)NC4CCCCC4)c(C)c23)CC1 2931463 GIPSEPRSIXFQSI-UHFFFAOYSA-N 401.580 3.594 0 1 HHAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4054060 UWZVKHFRBSNFTG-ODGPQVTHSA-N 416.477 3.637 0 1 HHAF CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc(Br)cc2)N3)C1 5200236 DWEOZCSYVIPVED-IJVDHGTGSA-N 404.333 3.693 0 1 HHAF CCCC[C@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O 26574799 AIWIIFQDNNXGPT-LJQANCHMSA-N 423.513 3.581 0 1 HHAF COc1ccc(NS(=O)(=O)c2c(F)c(F)c(Br)c(F)c2F)cc1 29486436 BBBAYGJTRRZKTC-UHFFFAOYSA-N 414.174 3.815 0 1 HHAF COc1ccc(/C=C2\CN(C)C[C@H]3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 33493339 MHDJXWPTXRZFFJ-GCAGSBLFSA-N 407.539 3.719 0 1 HHAF C[C@H](C[C@@H](O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820898 IJNGKAVECVRHHP-MWWRZCIJSA-N 404.547 3.865 0 1 HHAF O=C(N[C@H]1N=C(c2cccc(C(F)(F)F)c2)c2ccccc2NC1=O)c1ccco1 34642109 JNXJTFPNYUSBMX-GOSISDBHSA-N 413.355 3.844 0 1 HHAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ccn(C)n1)C2 34805015 UXBUGZAYDAHAQU-UHFFFAOYSA-N 416.312 3.712 0 1 HHAF O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 40430895 YCDMNSMEWLXCNC-UHFFFAOYSA-N 418.428 3.976 0 1 HHAF COc1ccc(Br)c(-c2nnc3sc(-c4ccc(N)cc4)nn23)c1 73297067 QDQIJBUTMTUYDG-UHFFFAOYSA-N 402.277 3.873 0 1 HHAF O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(Cl)cc1 95663571 IVSFOQKCIBTUJX-NQIIRXRSSA-N 410.905 3.568 0 1 HHAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO 95878709 IUDCWEZUNCWYDS-ATZDWAIDSA-N 419.294 3.602 0 1 HHAF COC(=O)CN1C[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)OC1=O 141593050 CMALEMUUAWRIGO-JRHAUIGTSA-N 417.546 3.962 0 1 HHAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(CC(C)(C)O)C[C@H]21 148079482 WKPJQVWJXLHVNA-UOIKSKOESA-N 423.483 3.543 0 1 HHAF COC1CCC2(CC1)Cc1ccc(OC[C@H]3CC3(F)F)cc1[C@]21N=C(C)C(N)=N1 210676632 QSYNDUROVMEDHR-JJKBFVQQSA-N 403.473 3.837 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 261173519 UHBPTWDWEKLBAG-JYJNAYRXSA-N 417.941 3.746 0 1 HHAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(OC)cc1)[C@@H]23 299839614 YZBVRZUULRFFMT-YJRNTSOCSA-N 400.563 3.713 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)cnc(Cl)c2[nH]1 586965128 QOKRERDIHUTIMF-UHFFFAOYSA-N 423.333 3.722 0 1 HHAF CCOc1n[nH]c(-c2nc3cc(Br)c(C)nc3[nH]2)c1Br 586978935 CWXNPKUAQYIOIO-UHFFFAOYSA-N 401.062 3.580 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3o2)(C(O)O)[C@@H]1c1ccc(F)cc1 587358274 WGGVGHNHCCFNMS-ZJSXRUAMSA-N 420.392 3.843 0 1 HHAF COc1ccc(I)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587385291 CEYRWPAAXIYYQG-MRXNPFEDSA-N 409.223 3.897 0 1 HHAF Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)F 587622418 MTUIFBCTPKNMHB-UHFFFAOYSA-N 408.206 3.963 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587793931 FOZAKSVWOAVHAQ-AGMRTUQYSA-N 412.299 3.640 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587834325 RLVPUYGHIWEJHM-XVWMFJGMSA-N 408.267 3.504 0 1 HHAF COc1cc(C(=O)c2c[nH]c3ccc(Br)cc23)c(N)c(OC)c1OC 653715459 MCHJAKHXXFYTKA-UHFFFAOYSA-N 405.248 3.769 0 1 HHAF Nc1nc(O)c2nc(SCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 653903324 LHFFICJTJARPFY-UHFFFAOYSA-N 409.315 3.971 0 1 HHAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cccnc2-c2cccnc2)N1 962626647 DBSODTCETBYQKZ-HKUYNNGSSA-N 415.371 3.731 0 1 HHAF Cn1ccc(-c2ccc([C@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)cc2)n1 962666192 MMJOPQIBXODAEQ-WIOPSUGQSA-N 412.493 3.823 0 1 HHAF Cc1nc2ccncc2cc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974954 LSAZCNQHXUGJQX-OXQOHEQNSA-N 403.816 3.732 0 1 HHAF N=c1nc(O)c2c([nH]1)N=c1c(c3c(c4ccccc14)=Nc1ccccc1S3)S2 1857643988 IDTNUMKZSSQTRX-UHFFFAOYSA-N 401.476 3.580 0 1 HHAF COC1=C(OC)[C@H](OC)[C@@H]2C(=C1)[C@H]1O[C@@H](c3cc4c(c(OC)c32)OCO4)[C@H](C)[C@@H]1C 2356450622 CFKXMCHMUWMKDV-ASHCNUTDSA-N 416.470 3.693 0 1 HHAF OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1C1CCCC1 22932806 RCVHOYOBAMZYKH-NRFANRHFSA-N 400.954 3.608 0 3 HHAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2cccc(F)c2)C(=O)O)cc1 13445249 NLTNOVDOLMXQTB-NRFANRHFSA-N 407.441 3.856 0 1 HHAF COc1ccc(CC(=O)N[C@H]2C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 13455280 CBQIALPYICPTEX-JKSUJKDBSA-N 409.269 3.671 0 1 HHAF CCCCOC(=O)[C@@H](CCCC)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 27739970 VESDDTHMRCVBTQ-UXHICEINSA-N 420.550 3.956 0 1 HHAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H]2COc3ccccc3O2)CC1 27899498 NQJYFIRWRMHLFE-OAQYLSRUSA-N 424.541 3.751 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccccc1N)C(=O)OC2 28870039 SLOVGORCAWIAHO-MDWZMJQESA-N 410.470 3.870 0 1 HHAF Cc1nc2c(N3CCN(CCOc4cccc5[nH]c(=S)[nH]c45)CC3)cccc2[nH]1 40847452 CWTJCLVHCPPWJV-UHFFFAOYSA-N 408.531 3.611 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@]12C 44418670 FNVLMBBATOHQQV-GVCNFLCJSA-N 422.606 3.839 0 1 HHAF Cc1ccc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)c(S(C)(=O)=O)c1 45261924 UXSQYXDWUHUHEM-UHFFFAOYSA-N 409.471 3.611 0 1 HHAF C=CC(=O)Nc1nc2c(Cc3ccc(F)c(Cl)c3)ncnc2cc1OCCOC 45505950 FPKZEOVCLPUZDO-UHFFFAOYSA-N 416.840 3.558 0 1 HHAF COc1ccc(Oc2c(C(=O)O)cnn(Cc3cccc4ccccc34)c2=O)cc1 73313814 ONHULTIAJVWBDR-UHFFFAOYSA-N 402.406 3.944 0 1 HHAF COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccccc1 95558299 BRUMAFXUJDREAI-QHCPKHFHSA-N 403.478 3.822 0 1 HHAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1cccc(-c2ccccc2)c1 96933080 HSCPCTNMDJWUMR-QFIPXVFZSA-N 407.514 3.529 0 1 HHAF CC1(C)CN(c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)C(=O)c2c(N)ncnc2O1 101693187 BBTARKXAWLHLPD-GASCZTMLSA-N 424.501 3.625 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(=O)cc(-c2ccccc2)o1 103213066 WBAJWMOLLBVXAV-UHFFFAOYSA-N 423.465 3.668 0 1 HHAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@H](C4)C3)c1=O 114764713 OZNDXFHVAUDQDB-LUAXHSKKSA-N 419.525 3.841 0 1 HHAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2c1cccc(Cl)c1 143096445 OYSZKSYOPMKKLG-ZDUSSCGKSA-N 401.898 3.764 0 1 HHAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2c1ccc(Cl)cc1 144359656 LWMUZICIPCPIGH-ZDUSSCGKSA-N 401.898 3.764 0 1 HHAF O=C(Nc1ccc(OC2CCN(C[C@H]3CCOC3)CC2)cc1)N1Cc2ccncc2C1 165936486 VLGTWNNWGFUHKL-GOSISDBHSA-N 422.529 3.509 0 1 HHAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(-c3ccc(C)cc3)cc12)C1=CCCC=C1 166975795 YJHXZQVLWMEZCU-JOCHJYFZSA-N 413.525 3.980 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2-c2ccccc2)c1 169706972 YIGIQJKRHOFZTA-UZLBHIALSA-N 402.498 3.812 0 1 HHAF CC(C)[C@@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1 221618558 SEWPIHHWIJFHPE-QHCPKHFHSA-N 406.505 3.570 0 1 HHAF Cc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1Br 586924825 BAPVRFZWUBVRLF-UHFFFAOYSA-N 421.316 3.853 0 1 HHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 586938605 KVKAODHFDCAPCF-ZDUSSCGKSA-N 413.478 3.632 0 1 HHAF COc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046426 UBNHHKUWFURWMI-UHFFFAOYSA-N 409.895 3.574 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239621 MDVRRKKXAAMEMZ-GZOOOWMASA-N 411.506 3.994 0 1 HHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 587240415 JVVPQVARRJMXPQ-UHFFFAOYSA-N 406.240 3.787 0 1 HHAF COc1cccc(C[C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587353540 QXRFKPLKBBFZJP-URXFXBBRSA-N 422.408 3.965 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2N)N1 587684932 RLWROVNRINUGQY-UOWDBTKRSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 587771661 WJZKTXGDMKMRHC-WYRIXSBYSA-N 409.299 3.766 0 1 HHAF COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587773939 SLIRYCQBQRCNEG-WYRIXSBYSA-N 423.282 3.634 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCOCC3)o2)N1 587774895 QFVQEXIMRVMEFY-HXPMCKFVSA-N 409.299 3.637 0 1 HHAF CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793359 DPTAASHYKHIGSY-XOOBFAIJSA-N 400.288 3.821 0 1 HHAF CO[C@@H](C)COC1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 587952236 NFQBSFQOJLOTEG-OOHWJJMZSA-N 411.506 3.700 0 1 HHAF O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2 653863948 IARMAQZFHNEVDV-UHFFFAOYSA-N 402.542 3.919 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCCc3[nH]c4cccnc4c32)N1 962983706 ZCRBDYIEQQAFIW-VLIAUNLRSA-N 403.816 3.673 0 1 HHAF Sc1nnc(SC[C@]2(c3ccccc3)NCCc3nc4ccccn4c32)s1 962985460 PBEXWOJMGJZJIF-LJQANCHMSA-N 411.581 3.656 0 1 HHAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(F)cc1 1772598117 XECUJMAUWGIGPW-PMACEKPBSA-N 404.432 3.757 0 1 HHAF Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OCC(C)C)ccc1-c1ccccc1 1857604384 TZTWYXCSHXJCFH-QFIPXVFZSA-N 405.498 3.856 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3nc[nH]n3)cc(-c3ncccc3F)c2)nc1 1857642888 AMJXZXITZCXXTF-CQSZACIVSA-N 402.433 3.867 0 1 HHAF CC[C@@H]1[C@H](C[C@H](C)C(=O)OC)O[C@]23CC[C@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@@H]13 2356336278 KSRHASDCOAHRSY-URLNYDQYSA-N 407.551 3.523 0 1 HHAF CCc1ccccc1NC(=O)CCn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 8593902 NIFLBNKBFBPUIG-UHFFFAOYSA-N 415.497 3.790 0 1 HHAF CS(=O)(=O)c1ccc(-c2cc(CCCO[N+](=O)[O-])nn2C2CCCCC2)cc1 13560524 JVFBJGGBZXSDKR-UHFFFAOYSA-N 407.492 3.600 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccc(C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 13826208 ZESTUFJZTVUSCH-IBGZPJMESA-N 411.498 3.986 0 1 HHAF CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(=O)NC1CCCC1 27642930 WVUNKWULDOXHJH-WIYYLYMNSA-N 416.562 3.690 0 1 HHAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccc(OC)c(OC)c1)CCCC3 28968733 UCCBGHDJUMENAF-FQEVSTJZSA-N 424.497 3.921 0 1 HHAF C[C@](N)(CO)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 49126318 YSQVDJQXTYUAJQ-VWLOTQADSA-N 402.494 3.817 0 1 HHAF CC(=O)Oc1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)c1 72124630 WTCCFVDOATVWAS-UHFFFAOYSA-N 424.400 3.887 0 1 HHAF CCCN(CC1CC1)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066503 AOIANBLVECLBBY-LJQANCHMSA-N 413.522 3.890 0 1 HHAF COc1ccccc1CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@@H]21 95894763 WTXSGWSQTIWVGJ-SONWIMMPSA-N 420.553 3.951 0 1 HHAF COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3ccc(OC)c(OC)c3)c2=O)c1 148089809 GPANASQSHLLXFN-UHFFFAOYSA-N 422.403 3.860 0 1 HHAF O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2c(F)cccc2c1N1CCOCC1 201536415 VEQWUACFEISBJG-UHFFFAOYSA-N 424.856 3.836 0 1 HHAF NC1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Cl)CC1 205256753 SVDDJOORCKWBEF-UHFFFAOYSA-N 405.893 3.663 0 1 HHAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@@H]3[C@H]1C5 253633320 KNIGTFRSJKNFFO-MWHCBIABSA-N 403.522 3.689 0 1 HHAF O=S(=O)(CCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc2c(c1)CCC2 586920786 QZXXDJQYUKIRDH-UHFFFAOYSA-N 421.316 3.536 0 1 HHAF O=[S@](CCCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 586961306 UKEFGJVXEDZRHP-RUZDIDTESA-N 421.316 3.837 0 1 HHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(Cl)c2[nH]1 586961698 LCXCBDSOLKZMFX-RXMQYKEDSA-N 400.689 3.910 0 1 HHAF COc1cc(OC)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586970413 ZJDUIZQMJMZQFU-UHFFFAOYSA-N 412.427 3.651 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)nc2[nH]1 586971939 BUYNJBZTPPSZCJ-AWEZNQCLSA-N 405.321 3.831 0 1 HHAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc2c(C(=O)O)cnn12 586990480 YCSBKCKQRHUCBL-UHFFFAOYSA-N 422.400 3.868 0 1 HHAF O=C(O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002022 RQYQSBBBLLINDT-RJRFIUFISA-N 401.216 3.965 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(I)cc31)O2 587386586 KDVBRVFQYRUGRA-SFHVURJKSA-N 405.235 3.989 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587503144 XDOPARLOROLQRR-QGZVFWFLSA-N 402.878 3.993 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587598182 WZHGDWPYSWEQDR-YMTYPPQLSA-N 411.454 3.979 0 1 HHAF COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)c1C(=O)OC 587634528 IVRXTBVIJPJHTF-UHFFFAOYSA-N 411.364 3.872 0 1 HHAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1cccc(F)c1 653768359 MXMYPBWRSRAJJW-GOSISDBHSA-N 412.486 3.761 0 1 HHAF CCCOc1ccc([C@@]2(c3ccccn3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962911268 ZHSONDRFYZJWCG-RDPSFJRHSA-N 406.457 3.900 0 1 HHAF O=C1C[C@H](C2CC2)C[C@]2(C1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963197997 UXMVHGYNDJANON-SDDDUWNISA-N 401.812 3.932 0 1 HHAF COc1cccc(C(=O)NC[C@@H](c2cnc(C)nc2)N2CCC(F)(F)CC2)c1Cl 1772577697 SDYONUZSUBRPMF-INIZCTEOSA-N 424.879 3.649 0 1 HHAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OC(C)C)cc3F)C2)cc1 1772650624 ZNQDRGWBPUEJQU-QFBILLFUSA-N 415.509 3.905 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CCOCC2)cc1F 1772652006 WPCMGHHEOJLHRM-UHFFFAOYSA-N 419.931 3.965 0 1 HHAF O=C1c2cc(-c3ccccc3)cnc2S(=O)(=O)N1c1ccc(Br)cc1 1654025 ARNJIBDFOXQEFF-UHFFFAOYSA-N 415.268 3.860 0 1 HHAF COc1ccccc1OCCN[C@H]1COC(c2ccccc2)(c2ccccc2)CO1 103217528 OBHJTUAGGFZJNL-XMMPIXPASA-N 405.494 3.980 0 1 HHAF CCCCNC(=O)Oc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1 66259596 DBHBDHZSFNXCAV-UHFFFAOYSA-N 423.557 3.898 0 1 HHAF Nc1cn2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1 72179700 ABCZKUIDXGHMIH-UHFFFAOYSA-N 417.853 3.572 0 1 HHAF COc1cc(N2CCOCC2)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n12 73169619 GMVMJTOBEXWBGG-UHFFFAOYSA-N 403.486 3.715 0 1 HHAF CC(C)(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71330319 POUGLMSADRXIGI-UHFFFAOYSA-N 410.499 3.550 0 1 HHAF CS(=O)(=O)c1ccc([N+]2=NC(C(F)(F)F)=C/C2=C2/C=CN(O)C(O)=C2)cc1 49841052 OJRVGYNHAYPHOR-UHFFFAOYSA-O 400.358 3.518 0 1 HHAF NC1=N[C@]2(CO1)c1cc(-c3cncc4ccccc34)ccc1OC1(CCC1)C21COC1 220721559 NFVBGAGTKRCWGE-RUZDIDTESA-N 413.477 3.774 0 1 HHAF COCC(=O)N(c1ccccc1OC)[C@H]1CCN(CCc2cccs2)C[C@H]1C 40460567 KLDQMZIGULQNFS-MJGOQNOKSA-N 402.560 3.689 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(-c3cn(C)cn3)c2)cc1 199936907 XAHSWUYCTVEYLL-UHFFFAOYSA-N 421.526 3.905 0 1 HHAF Cc1cc(C)nc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@H]3C)n1 225991532 BXJQCWDMDYALGW-LBPRGKRZSA-N 417.300 3.740 0 1 HHAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)C1 82139770 FAKGXWKYRWBNPY-IRXDYDNUSA-N 412.509 3.770 0 1 HHAF COC[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C 148078274 GFAJQWCNDZLUDF-JLMZAJLHSA-N 423.483 3.807 0 1 HHAF CC[C@@H](NCCNc1nc2cccc(F)c2s1)c1nnnn1Cc1cccs1 653807597 WRQGAJSLTRABQK-CQSZACIVSA-N 417.539 3.685 0 1 HHAF O=C(NCCc1nc2cccc(I)c2[nH]1)OCc1ccccc1 587228139 JKQXLMFVLJSCGS-UHFFFAOYSA-N 421.238 3.636 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CO)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238306 BTGMHWVBQWAKJK-UVQUFPMPSA-N 401.507 3.610 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 587764625 GJTGOLCRZQQOAH-QKKBWIMNSA-N 418.354 3.964 0 1 HHAF COCOc1ccccc1[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436661 TUWDHZKZCWUOPH-KOSHJBKYSA-N 403.434 3.764 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O 587477295 QICSSCIUBABZAB-NYHFZMIOSA-N 419.474 3.533 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587598181 WZHGDWPYSWEQDR-IQVOZAENSA-N 411.454 3.979 0 1 HHAF COc1cc(-c2nc3cc(I)cnc3[nH]2)cc(Cl)c1O 587046186 MNCAARWQLIVVKE-UHFFFAOYSA-N 401.591 3.597 0 1 HHAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587121166 VUFQHYIMRJREEA-UHFFFAOYSA-N 419.329 3.823 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(I)c2[nH]1 587044292 ZBKYOAIKAHDTQY-LLVKDONJSA-N 415.300 3.788 0 1 HHAF Fc1ccc([C@]2(C3CNC3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962955559 LDNQXVNVLSBIQC-JOCHJYFZSA-N 420.450 3.959 0 1 HHAF C[C@H](O)[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963199064 VSFDYCPQFLEIIQ-UPCKUEGWSA-N 405.825 3.644 0 1 HHAF Cc1c(O)ccc2c1[C@@](c1cccs1)(c1cccnc1Cl)N[C@H](C(=O)O)C2 963548580 HBZDBVSVLRKFKX-XOBRGWDASA-N 400.887 3.701 0 1 HHAF NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1ccccc1Br 1772600634 ONXKXNWZCWHUJG-DOTOQJQBSA-N 403.324 3.973 0 1 HHAF Cn1cc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC(F)(F)CC2)cn1 1772653088 AXUDCHXHIHEUEX-HNNXBMFYSA-N 417.287 3.929 0 1 HHAF Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3O[C@H](C)CN)c12 1772612849 HRMLEQJJPWCSFH-CYBMUJFWSA-N 417.510 3.906 0 1 HHAF CC[C@H](F)c1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12 1772630918 DVBYRXABPPROLJ-SFHVURJKSA-N 412.465 3.802 0 1 HHAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@](C)(OC(C)=O)C(=O)C[C@H]2C(C)(C)CCC[C@@]23C)CO1 14970665 GDSNRTJTRDXNIY-HSPSNZCNSA-N 408.535 3.794 0 1 HHAF biogenic CC(C)CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168460536 VQMYKTVEJBDICB-XMTFNYHQSA-N 417.347 3.988 0 1 HHAF Cc1nnc2ccc(C(=O)NC3CN(c4ncc(C5CC5)cc4Cl)C3)cc2c1C 1857571196 PFPKNKIDFPUTBC-UHFFFAOYSA-N 407.905 3.791 0 1 HHAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCN(C4CCCCC4)CC3)[C@@H]2CC1 253734097 JSBMTSVNKOOLTP-IJELJUKBSA-N 416.606 3.772 0 1 HHAF C[C@@H]1CCC[C@@H](N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 148605397 YLFKDWKDFAXSHQ-QRVBRYPASA-N 414.571 3.996 0 1 HHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1C 3814708 CUJAYBPDKMIWOJ-UHFFFAOYSA-N 411.405 3.523 0 1 HHAF O=C1c2ccccc2CC[C@@H]1CNCCc1ccc(O)cc1[125I] 100057453 MIQRUWUVLIWVAW-XZNBXVSQSA-N 419.279 3.574 0 1 HHAF in-vitro NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC[C@@H](c2c[nH]c3cc(F)ccc23)C1 26495163 ASDKFOKSFQKONG-HXOBKFHXSA-N 407.489 3.899 0 1 HHAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1[C@@H]1[C@@H](O)OC(C)(C)[C@@H]1OC(C)=O 2356666403 LQFYRSWYFPDEHM-WWNPGLIZSA-N 424.449 3.611 0 1 HHAF COC(=O)c1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 66102156 YQGYZGTXNKOHHM-QHCPKHFHSA-N 407.853 3.976 0 1 HHAF CCCNC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2105273 LFDJAKBYDHCUTI-XMMPIXPASA-N 416.481 3.548 0 1 HHAF biogenic Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(F)c2cnc3ccccc3c2)CC1 222862617 JTGYOXKVMCWCBO-UHFFFAOYSA-N 400.479 3.740 0 1 HHAF COc1ccccc1C[C@H]1COC(=O)[C@@H]1Cc1ccc(I)cc1 1911577455 PKSPLJITCBHNMG-DOTOQJQBSA-N 422.262 3.874 0 1 HHAF CCO[C@H](Cc1ccc(OCCN2CC=C(c3cccs3)CC2)cc1)C(=O)O 40423985 ZLTQHVPDFFSZRQ-HXUWFJFHSA-N 401.528 3.948 0 1 HHAF O=C(/C=C/c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1 43071659 BCGPDBKMYGDLEN-JXMROGBWSA-N 403.295 3.946 0 1 HHAF N#Cc1nc(C(=O)NCC2(C(=O)O)CCC2)c(O)c2ccc(OC3CCCCC3)cc12 146738971 IVNASAIOJNMRBM-UHFFFAOYSA-N 423.469 3.508 0 1 HHAF CN[C@H]1C[C@@H](c2c(OC)cccc2OC)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 299870534 WIOKERJYWBGMGL-HOTGVXAUSA-N 424.419 3.664 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377041 GDROCBQCYZMUSH-NRFANRHFSA-N 401.846 3.614 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2=O 587488914 SOLNBIVSROHNAN-NRFANRHFSA-N 415.511 3.836 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)n2C)N1 587685567 ULPYQPNBCNRDQV-UHLUBPPHSA-N 403.093 3.708 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnc3c1OCCO3)CC2=O 587460662 VJPOBRBBOVSBOV-OAHLLOKOSA-N 420.259 3.980 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587560765 JXVKZKKGIUYWHE-ZZLSIJJYSA-N 409.530 3.853 0 1 HHAF COC(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 586918596 ORJHRZZUOQVHQP-UHFFFAOYSA-N 406.438 3.867 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587584168 WZHGDWPYSWEQDR-XQAUZQBESA-N 411.454 3.979 0 1 HHAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586929963 KGMUKGQNKHALIJ-UHFFFAOYSA-N 417.434 3.710 0 1 HHAF COc1ccc(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC 587868307 YZNWLCZEDQOMBS-UHFFFAOYSA-N 421.375 3.873 0 1 HHAF COc1ccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@@]23NCCc2ccc(O)cc23)cc1 963329801 UQHSTPDWXOIXCL-JWQCQUIFSA-N 417.461 3.767 0 1 HHAF CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)NCCc3c(C(=O)O)cccc32)n(C)c1 963144754 MGHLBAPJAANUES-KRWDZBQOSA-N 415.704 3.685 0 1 HHAF CC(C)[C@@H](NC(=O)c1cc(O)nc(N(C)C)n1)c1ccc(SC(F)(F)F)cc1 1772569900 RTAPSDDIHRJROQ-OAHLLOKOSA-N 414.453 3.987 0 1 HHAF C[C@@H]1CC[C@@H](Oc2ccc3ccccc3n2)CN1C(=O)c1ccccc1-n1nccn1 1772576283 DYIPDRRPWVJZBW-IEBWSBKVSA-N 413.481 3.888 0 1 HHAF CCOC(=O)C1=C(CSC(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccccc1 1772622961 IBCJHRJWHHWKLA-IBGZPJMESA-N 410.495 3.740 0 1 HHAF CC1CCN(c2nc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3s2)CC1 5145454 ZFTALDYJVJYLCZ-UHFFFAOYSA-N 401.532 3.512 0 1 HHAF CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1 12196391 RSRQXZAPJUVSAR-KRWDZBQOSA-N 423.469 3.750 0 3 HHAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1C1CCC1 13583836 PWSSDWTVCDGZNF-KRWDZBQOSA-N 418.538 3.981 0 1 HHAF CN(CCCCN1CCN(c2nsc3ccccc23)CC1)C(=O)c1ccccc1N 13747157 NBDFDYYFHOMBPV-UHFFFAOYSA-N 423.586 3.553 0 1 HHAF Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1cccc(C(=O)c2ccccc2)c1 1857655181 VGTYBGSEWIITMD-UHFFFAOYSA-N 414.450 3.859 0 1 HHAF CCOC(=O)Cc1ccc(Nc2nc3cc(F)c(F)cc3nc2C(=O)OCC)cc1 1659558 JALCIRXCHWRWTH-UHFFFAOYSA-N 415.396 3.934 0 1 HHAF CCCCCC1=NO[C@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1 12354997 TYJRDDMZYMNGAZ-IBGZPJMESA-N 415.515 3.665 0 1 HHAF C[C@H](NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)c1ccccc1 13732775 AMJHJWQKGLQESV-SBUREZEXSA-N 412.493 3.887 0 1 HHAF COc1ccc(S(=O)(=O)N[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C/C=C\CCCC(=O)O)cc1 29487053 VCOYWENAIWGYDI-XBAUHJEFSA-N 407.532 3.589 0 1 HHAF CC1(C)CN=C2C(=O)c3cc(C(=O)N4CCC[C@H]4COc4ccccc4)ccc3N2C1 35879119 QWLRIACUZMTDDV-SFHVURJKSA-N 417.509 3.811 0 1 HHAF O=C(Cc1ccc(O)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 40763213 VNUXHRQFFURHDW-UHFFFAOYSA-N 419.481 3.532 0 1 HHAF Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21 64548614 DSBJBOOMYLWTSO-UHFFFAOYSA-N 419.466 3.707 0 1 HHAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185315 GIRZYTLDWNYLRN-UHFFFAOYSA-N 414.941 3.817 0 1 HHAF COc1ccccc1-c1csc(N2CCC[C@@H]2C(=O)NCCOc2ccccc2)n1 82195706 IVCIPOCXLFSEOS-HXUWFJFHSA-N 423.538 3.983 0 1 HHAF COc1ccc(/C=C/C(O)=C2\C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)c(OC)c1OC 102310191 OWUWZAVJFQJYSL-MSGSGMASSA-N 423.465 3.950 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)[C@H]1CC[C@H](C2)N1 113225987 KHANLFXXTGWBLA-IIBYNOLFSA-N 412.493 3.652 0 1 HHAF O=C1OCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 113698495 YPQQARNVJDILSU-QGGXVJLZSA-N 401.413 3.976 0 1 HHAF COc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(OC)C2=O)cc(OC)c1OC 141089533 QBUQMIIJQBZDLG-UHFFFAOYSA-N 419.433 3.707 0 1 HHAF Cc1cccc(C(N)=O)c1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1 146123629 FACKQBHEYKTCMT-UHFFFAOYSA-N 417.465 3.773 0 1 HHAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2C1 218275235 PXNWKNBQGVYSEZ-INIZCTEOSA-N 413.481 3.518 0 1 HHAF O=S(=O)(CCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc2c(c1)CCC2 586920311 HVXKIVFOUOFLIL-UHFFFAOYSA-N 423.307 3.970 0 1 HHAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(CO)cc4[nH]3)CC2)cc1 586955556 QOLOAWHGICIYRY-UHFFFAOYSA-N 413.543 3.747 0 1 HHAF O=C(NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cscn1 587027448 DDGXTQDNMQYZDW-UHFFFAOYSA-N 421.198 3.611 0 1 HHAF COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587028425 YCMBPRBBUCUFTP-CCKFTAQKSA-N 424.526 3.881 0 1 HHAF CS(=O)(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361674 YQHQWTDLKDTQQF-SFHLNBCPSA-N 404.459 3.616 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1Br)NC(=O)CO3)O2 587373299 TWYRWQCWXWFSMY-LJQANCHMSA-N 417.259 3.551 0 1 HHAF CCOc1ccc(-c2nn(-c3ncc(F)cn3)c(=O)c3ccccc23)cc1OCC 587671776 RPTFJEPVAAJCDM-UHFFFAOYSA-N 406.417 3.779 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 587737243 DHXRDRDBUUDUAU-LNSDYSHSSA-N 417.294 3.907 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2Cc3ccccc3C2=O)N1 587776701 YFQLZNXYUUZVSL-FKIZINRSSA-N 403.295 3.994 0 1 HHAF Cc1ccc(S(=O)(=O)N(C)C2(C(=O)N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1F 653784922 ZAOKLIHYWNMLLT-FPDPHYFHSA-N 422.566 3.618 0 1 HHAF CCC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962897827 NNKFJUDZBCPPIG-AZUAARDMSA-N 420.278 3.800 0 1 HHAF Cc1cn(C)c(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@](C)(F)CC3(F)F)c2)n1 1772592917 BXYUHPWNQCGGDU-QZTJIDSGSA-N 411.403 3.669 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@@H]1CCCCN1Cc1ccccc1)C2 1772620023 WOXSRYRINRYFSJ-PZJWPPBQSA-N 423.509 3.657 0 1 HHAF Cc1nc(-c2cccc(F)c2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 1857762413 RZGRXLWPQMJGHW-UHFFFAOYSA-N 421.471 3.695 0 1 HHAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cc1 2356770073 WHERIAOAEJSVKK-GGAORHGYSA-N 415.493 3.659 0 1 HHAF O=C(Cn1c(SCc2cccc(Cl)c2)nc2ccncc21)NC[C@@H]1CCCO1 6752338 BTWAMXSYMQXBIS-INIZCTEOSA-N 416.934 3.672 0 1 HHAF O=C(c1ccccc1)N1C[C@H](F)[C@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356302050 KRGCAWPMLYLGIH-WMLDXEAASA-N 407.367 3.961 0 1 HHAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n21 117691873 ZXHDZOUUAQKTSO-MRXNPFEDSA-N 413.481 3.833 0 1 HHAF O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1 103245385 YREVYDPHQXWXIU-IZZDOVSWSA-N 412.493 3.696 0 1 HHAF O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(O)cc4)ccc31)CCCC2 28334442 SFEURIWVUDPPCI-UHFFFAOYSA-N 414.483 3.501 0 1 HHAF O=C(CSc1nc2ccccc2s1)NC[C@H]1CCCN(Cc2ccncc2)C1 28231219 VIHMUTXMFOWFHA-QGZVFWFLSA-N 412.584 3.812 0 1 HHAF O=C(O[C@H]1CCN(Cc2ccc(F)cc2)C1)C(O)(c1ccccc1)c1ccccc1 27521114 DEAIUYQFPQTRIV-QHCPKHFHSA-N 405.469 3.879 0 1 HHAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3Cc3cccc(Cl)c3)cc2N1 116257833 MCSQGGVPYHUPET-QHCPKHFHSA-N 420.852 3.520 0 1 HHAF O=C(NC[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)OCc1ccccc1 27521103 FEYOATMPAWRDSN-OAQYLSRUSA-N 417.440 3.910 0 1 HHAF C[C@H](NC(=O)c1cccc2c1N(Cc1cccnc1)CC2)c1ccc(C(=O)O)cc1 66058931 YLOMCTJFMDCDTL-INIZCTEOSA-N 401.466 3.834 0 1 HHAF O[C@H](CNCCc1ccncc1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1 26017377 QJXVVBUURFUXIH-LJQANCHMSA-N 420.538 3.772 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 72283464 BSDIOOGSAAJMSR-QFIPXVFZSA-N 407.832 3.687 0 1 HHAF O=C(NC[C@H]1CN(c2ccc(N3CCCC3)cc2)C(=O)O1)c1ccc(Cl)s1 34341398 IQOWGQZZKKHHOD-HNNXBMFYSA-N 405.907 3.757 0 1 HHAF Cc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2ccncn2)CC1 72315847 HEHUYDGXGRIAQM-UHFFFAOYSA-N 416.529 3.882 0 1 HHAF CCCC[C@@]12C[C@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 34821592 CESRDADCMWXVSB-VXKWHMMOSA-N 411.889 3.848 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@@H](C)[C@@H](C)C2 15270608 MRKYWHWCKKOXEB-LDLUMPKVSA-N 404.459 3.661 0 1 HHAF biogenic O=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccncc21 45318079 MRYBNOQNOJJVQK-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 82205926 UGWNTIDPDVXIJD-QZTJIDSGSA-N 414.525 3.955 0 1 HHAF CCn1c2c(n(C(C)=O)c1=O)C=C(C(=O)N1CCCC1)[C@@H](C)C(c1ccccc1)=C2 199741989 YWVRLQQDCKHMBA-INIZCTEOSA-N 405.498 3.526 0 3 HHAF NC(=O)CCn1cc(-c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144876155 RSRGUTRNLUTSOR-LJQANCHMSA-N 421.806 3.858 0 1 HHAF NC(=O)CCn1cc(-c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144875984 RSRGUTRNLUTSOR-IBGZPJMESA-N 421.806 3.858 0 1 HHAF O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@H](C4)C3)c1=O 143917795 OZNDXFHVAUDQDB-MCQVRYETSA-N 419.525 3.841 0 1 HHAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO 95877835 QWYSCWGFSRJNCO-YMVVMYQSSA-N 413.521 3.692 0 1 HHAF Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)COC(=O)N4)cc2)cn1 653846527 KQBZMDCNLVOJPZ-UHFFFAOYSA-N 423.904 3.881 0 1 HHAF COC(=O)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 587767483 BCTHXJSRMRJRQW-BMLIUANNSA-N 418.266 3.646 0 1 HHAF CCOC(=O)CCOCCCOCCc1nc2ccc(Br)c(C)c2[nH]1 587566422 MCTOXLRHSPPCJX-UHFFFAOYSA-N 413.312 3.553 0 1 HHAF O=[S@@](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)CC1CC1 586961038 ZUGFMGYPYGBQCY-AREMUKBSSA-N 423.947 3.676 0 1 HHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587175665 XJQCKRAWQIYJJZ-ZDUSSCGKSA-N 417.238 3.887 0 1 HHAF C[C@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580564 SENKDUUKDQRVIX-AUSIDOKSSA-N 405.406 3.552 0 1 HHAF C[C@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584684 AIXYNMHDRUDSLH-GBXCKJPGSA-N 401.418 3.769 0 1 HHAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587748941 BXNBDUAWRFIFCL-NSPYISDASA-N 409.299 3.901 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(C(F)(F)F)N1 587705476 MTXIHSCTSULMIV-BJOHPYRUSA-N 404.205 3.913 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cnc3[nH]2)C[C@@H](C)O1 586969176 UMSQKVDSNLMKHA-BETUJISGSA-N 424.505 3.946 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@@H](C(=O)O)[C@@H]32)c1 587361963 BTTHBSZYSCUPGF-FIRDEBMASA-N 400.434 3.969 0 1 HHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586918392 XWNYLGKZSAYHOQ-YADARESESA-N 404.514 3.531 0 1 HHAF CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516508 CWNXWVBVSIOKRD-GJZUVCINSA-N 419.521 3.965 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3c(Cl)ncnc3[nH]2)[C@H]1c1ccccc1Cl 587061633 OYDNLJGLKFXHNT-BLLLJJGKSA-N 420.300 3.753 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(OC)n1 587587193 LQCPHZNLOUAWEH-YLJYHZDGSA-N 409.394 3.516 0 1 HHAF CC(C)(C)n1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587344203 WJNVMEDSZGVDFE-WMZHIEFXSA-N 424.428 3.822 0 1 HHAF Cc1c(O)ccc2c1[C@@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963557945 YTSLNKSPVOEPML-DGGJZMOXSA-N 418.534 3.600 0 1 HHAF CC(=O)[C@H](C(C)(C)C)[C@@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148865 PBWROUOPLNJZNN-MNVSYLFESA-N 410.536 3.856 0 1 HHAF Cc1cc(-c2cnc3c(NCCC(F)(F)F)nccn23)ccc1C(=O)NC1CC1 203779275 MSHWBGIAMYRZSO-UHFFFAOYSA-N 403.408 3.961 0 1 HHAF CCCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169366493 PKRSCLWRYRXOGB-JNOULUJGSA-N 423.553 3.699 0 1 HHAF Cc1ccccc1-c1cn2c(-c3cccc(C(=O)N4CCN(C)CC4)c3)cnc2cn1 1857594030 DPPYUPFHWKAXSY-UHFFFAOYSA-N 411.509 3.759 0 1 HHAF CCc1nc2ccc(C)cn2c1C(=O)NCCOc1ccc(Br)cc1 1857610333 QWBOAUJCOHBLCV-UHFFFAOYSA-N 402.292 3.776 0 1 HHAF Cc1cccc(CN2C(=O)CSc3ccc(C(=O)NCc4ccccn4)cc32)c1 3638425 RWDXSRVJZGTKQB-UHFFFAOYSA-N 403.507 3.959 0 1 HHAF CC[C@@H](C)[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265349 IGVUMMLAGMRIGI-ZMYBRWDISA-N 401.482 3.882 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@H]2C[C@H]3C[C@]3(c3ccccc3)C2)n1C 101638912 XWXGIXOQLMBDID-NPPFBWRTSA-N 409.559 3.971 0 1 HHAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Br)cc1 29470913 SJNSPNDULBFGNL-UHFFFAOYSA-N 400.202 3.722 0 1 HHAF Cc1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 61969821 PIQSWNGGGQVTLP-OAQYLSRUSA-N 403.486 3.966 0 3 HHAF C[C@H]1CN(Cc2cn3c(-c4cccc(Br)c4)nnc3s2)C[C@H](C)O1 20151781 GQHSXUWSTJDWSG-RYUDHWBXSA-N 407.337 3.830 0 1 HHAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356687454 QHOWASXKMOHCHB-IMSXRSKXSA-N 400.563 3.822 0 1 HHAF CC(=CCC[C@](C)(O)CCCC1=CC(=O)N(CC(=O)O)C1)CCC[C@H](C)CC(=O)O 2356786751 BALURIUIBGAQQW-MBSDFSHPSA-N 423.550 3.769 0 1 HHAF COc1ccc(CC2(CCCCCCC[C@H](F)CF)C(=O)NC(=O)NC2=O)cc1 1911579471 FITYZYBFZVGBBP-INIZCTEOSA-N 410.461 3.628 0 1 HHAF CC(C)(Cc1ccc(C(C)(C)C)cc1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 45388849 IAFVIBPEINGNAY-HXUWFJFHSA-N 412.530 3.665 0 1 HHAF O=C(N[C@H]1COc2ncccc21)[C@H](CN1CCCC1)c1ccc(Cl)cc1Cl 146596252 PKHTYKLFJAEFOW-AEFFLSMTSA-N 406.313 3.818 0 1 HHAF CC(C)(C)c1nc2c(s1)CCc1nc(NC(=O)N3CCC[C@@]3(C)C(N)=O)sc1-2 144962035 WHJMFYBWPAIUAU-IBGZPJMESA-N 419.576 3.534 0 1 HHAF CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261110707 HYGWSJJGGPMNNN-KESTWPANSA-N 414.590 3.637 0 1 HHAF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2nc4ccccc4cc2C[C@@]3(O)[C@H]1C5 473081277 BQOHCFQFDMHPBD-IFKAHUTRSA-N 414.505 3.640 0 1 HHAF Fc1cnc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586967416 WQACZEDXZWEWAW-UHFFFAOYSA-N 407.228 3.597 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587796991 UVTIZGYIJFLEEI-GIGQVBGESA-N 424.266 3.684 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 587734446 RPGVLAAILASWQF-MGNBDDOMSA-N 405.246 3.932 0 1 HHAF C[C@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619965 WENBCPFFCJNQEF-XMSQKQJNSA-N 409.463 3.986 0 1 HHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)c(F)c(F)c2[nH]1 587225758 STADJIWGZHMYRZ-SECBINFHSA-N 410.218 3.687 0 1 HHAF O=C(O)c1ccc(-c2cc(-c3nc4c(O)nc(S)nc4[nH]3)ccc2F)cc1F 587139729 RYMNMIUACCIWBU-UHFFFAOYSA-N 400.366 3.658 0 1 HHAF COc1ccc2c(C)c(CCc3nc4ccc([C@H](N)N=O)cc4[nH]3)c(=O)oc2c1C 586918845 QSQZSACMFRQIRT-OAQYLSRUSA-N 406.442 3.804 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570418 WSDRZENJTFBCDF-REWPJTCUSA-N 408.381 3.952 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4N/C1=C/Cl)[C@@H](C2)C3=O 587421309 LAPOLYCVLSLHFX-WZZPSOHESA-N 410.857 3.807 0 1 HHAF CS(=O)(=O)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361079 RFNWNWQVZSHMDS-BSIFCXSSSA-N 404.459 3.616 0 1 HHAF CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)CC(=O)c2cc(C)cc(N)c2O1 587382164 PBPMPODTCSPJRD-OAQYLSRUSA-N 423.387 3.817 0 1 HHAF COc1ccc(N)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC 587740463 BDOPAOPNGHANGX-APBUJDDRSA-N 409.299 3.985 0 1 HHAF CCn1ccc(C(=O)Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)n1 587432966 UBIOIUQWGWCLBV-VGOFRKELSA-N 404.422 3.620 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc12 587038330 QUVFKSLEWZZDFM-QMMMGPOBSA-N 419.413 3.632 0 1 HHAF Cc1c([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587707348 UJAKIRRYZPBJMR-ANRSDYALSA-N 406.221 3.970 0 1 HHAF COC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2n1 587183695 GXXHDFFZCNRZOS-VMPITWQZSA-N 405.195 3.520 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2c(OC(F)(F)F)cccc2[nH]1)C(F)(F)F 587127380 RVFUHSZZYNGOKH-UHFFFAOYSA-N 411.283 3.817 0 1 HHAF C[C@H](C(=O)O)n1cc([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963031542 RBNMGORSPSQBKT-IYPVNNRCSA-N 403.482 3.604 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)c2ccc(F)cc2C[C@@H]2CCCN21 963108801 YMYOVJDHRGWODW-BVZFJXPGSA-N 420.484 3.714 0 1 HHAF C[C@]1(CS(=O)(=O)c2ccccc2)NC2(CC2)Cc2ccc(Br)cc21 961318406 GWDIJUOOGDFYDA-GOSISDBHSA-N 406.345 3.817 0 1 HHAF CCOC(=O)C[C@]1(CCc2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219301 DOJPOSZFJLNZAV-RDGATRHJSA-N 418.493 3.615 0 1 HHAF CSc1cccc(N2C(=O)CN(c3ccccc3)C[C@@H]2C(=O)NC2CCCC2)c1 1772586390 WAIKMXNVKKPOIE-OAQYLSRUSA-N 409.555 3.689 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CC[C@H](C(=O)NC4CCCC4)C3)c2)c1 1772603779 RAHWQSZFAUHTTE-IBGZPJMESA-N 406.530 3.523 0 1 HHAF Cc1c(F)c(N(C)c2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F 13797462 UZBVVTXNCWEYTB-UHFFFAOYSA-N 423.471 3.772 0 1 HHAF O=C(Nc1ccc(C2=CCN(C(=O)[C@@H]3CCOC3)CC2)cc1)N1Cc2ccccc2C1 166208007 VKABRFSTVYJHCG-JOCHJYFZSA-N 417.509 3.887 0 1 HHAF Nc1nn(Cc2nnc(Nc3ccc(F)cc3)s2)c2nc(C(F)(F)F)ccc12 1857588355 RAUDYMOXRWCCOD-UHFFFAOYSA-N 409.372 3.815 0 1 HHAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4049691 ITTVTGYJDJYVCJ-BESBDSHLSA-N 408.498 3.597 0 1 HHAF COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccccc3)nc21 4238315 IXPVMPHONULRAH-UHFFFAOYSA-N 408.845 3.946 0 1 HHAF CSc1cccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)c1 7006439 TZFQELKUMHJTKA-UHFFFAOYSA-N 404.495 3.856 0 1 HHAF aggregator O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCC(Cc2ccccc2)CC1)c1ccco1 2356286031 KBWSMJCOXGKZOY-SGNDLWITSA-N 421.585 3.675 0 1 HHAF CC[C@H]1CC(O)=C2C1=N[C@H]1COCC(=O)[C@H]1[C@H]2c1ccc(F)c(Br)c1 101411102 ZUDLMLQKCUFUOJ-AUQGMMCUSA-N 408.267 3.953 0 1 HHAF COc1cc(Cl)n2s/c(=N\C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)nc2n1 103198064 GXOKKWYTRAPCDW-NNLSSIJJSA-N 411.314 3.973 0 1 HHAF COc1cccc([C@@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC 102651275 JFZWBTWBSSDBMW-SRIJWZPRSA-N 406.442 3.977 0 1 HHAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100106875 XNANZKGWOSNFEO-NUNAXRQHSA-N 408.498 3.621 0 1 HHAF COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)c2c(cc(C)oc2=O)O3)cc1 102853223 GTDDZWFPUABHTD-VWNXMTODSA-N 422.433 3.882 0 1 HHAF O=C1c2ccccc2CC[C@H]1CNCCc1ccc(O)cc1[125I] 100057450 MIQRUWUVLIWVAW-BDLABIFASA-N 419.279 3.574 0 1 HHAF in-vitro CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@@H]3CC[C@@]21C 26186236 HKMYJCGBZHDCCU-MUWYITNTSA-N 420.619 3.789 0 1 HHAF CCCCc1ncc(C(=O)OC)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1 27861463 QHGCZFKPRKSRFB-UHFFFAOYSA-N 416.485 3.703 0 1 HHAF CC1=CC[C@@H]2C(C(C)C)=CC(=O)O[C@]2(C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@@H]1O[C@@]3(C)O 2356534199 YFSGXEZLCNEFQI-VICKOMKASA-N 416.514 3.801 0 1 HHAF CCCCC[C@H](C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)OC)OC(C)=O 2356660581 IDRDPQADACSXNY-AQCRLBJHSA-N 408.535 3.910 0 1 HHAF Cc1cc(C(=O)N2CCCN(c3cc(-c4ccc5ccccc5c4)ncn3)CC2)no1 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CCCOc1ccccc1[C@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581704 XBVQPSWZQRUNMD-URXFXBBRSA-N 405.450 3.997 0 1 HHAF CS(=O)(=O)[C@@H](c1nc2ccccc2[nH]1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531141 IPETTZGWLPNIOV-TZIWHRDSSA-N 410.495 3.561 0 1 HHAF COCCN(C)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587741625 OEPXJPLPEUYJSZ-BLVKFPJESA-N 408.315 3.689 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2F)N1 587737239 DHXRDRDBUUDUAU-AJAPIDPKSA-N 417.294 3.907 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)cc(Cl)c12 587568514 DRGQPIGYYKEPHG-UWJYYQICSA-N 411.772 3.994 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587736478 WACHIOKRQHHNOT-HOGDKLEQSA-N 422.225 3.866 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OCCN)cc1)[C@@H](C2)C3=O 587433794 WPQPDQNXZGTRRT-OFVILXPXSA-N 401.462 3.724 0 1 HHAF Nc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538361 ADTJUIICKZOEKB-HNAYVOBHSA-N 413.227 3.835 0 1 HHAF C=CN1CC[C@H]([C@@]2(CSC)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587847666 VAFYCHDOKNULRU-SUFBMKPHSA-N 413.356 3.673 0 1 HHAF CN(C)CCOc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014103 KPBSWSADFVNVJM-UHFFFAOYSA-N 417.535 3.652 0 1 HHAF CS(=O)(=O)/C=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586923541 PETSXLOYVQUUFK-FPLPWBNLSA-N 407.289 3.920 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)O)c(Br)c1)O2 587378927 WWHHKVNIQCJONM-INIZCTEOSA-N 406.232 3.510 0 1 HHAF Cc1c(O)ccc2c1[C@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)N[C@H](C(=O)O)C2 963511038 RWSKBIGYTVCFBE-UGKGYDQZSA-N 403.434 3.754 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc3nc(O)oc3c2)N1 963202404 ZHKROHXFNQJSEO-NHYWBVRUSA-N 412.751 3.894 0 1 HHAF COc1ccc(C(=O)[C@H](C)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772619282 LTKVIRPRVBVHRN-RCDICMHDSA-N 419.543 3.973 0 1 HHAF O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccccc2)CC1 13823461 AWSBXOYZYNLCBZ-UHFFFAOYSA-N 407.539 3.561 0 1 HHAF O=C1NC[C@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 13982648 BRKOVFUTTJGJEO-JQYIIUTOSA-N 422.544 3.952 0 1 HHAF Cc1cnc2c(C(=O)NCCF)cn(Cc3nccc(OCC(F)(F)F)c3C)c2c1 169353745 CNOJPIYJFNHDHW-UHFFFAOYSA-N 424.398 3.737 0 1 HHAF CCCOCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707213 NJNCQTLCMFBRAN-IBGZPJMESA-N 418.497 3.541 0 1 HHAF C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709249 NUVUVZBKYKTVAL-JTSKRJEESA-N 424.545 3.860 0 1 HHAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccc(F)cc4-c4ccccn4)C[C@H]3C2)n1 167090184 UOVVTUIUPUBXQO-ROUUACIJSA-N 417.488 3.503 0 1 HHAF O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cccc(F)c2)cc1 201472733 LTBODQVKAZGTOG-IBGZPJMESA-N 406.413 3.648 0 3 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 205473609 JNZHOKDMZKVPDT-VPWUQYKFSA-N 418.537 3.886 0 1 HHAF CC1(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc32)COC1 1857540991 JNDZGDMKSGVQGD-UHFFFAOYSA-N 401.470 3.806 0 1 HHAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 1857601357 HVCLJLFYVDNOAP-FTRWYGJKSA-N 406.419 3.590 0 1 HHAF CCOC(=O)C1=C2CCCN2C(c2ncc(F)cn2)=N[C@@H]1c1ccc(F)cc1Cl 1857750336 AUHOELJHZQEDTI-QGZVFWFLSA-N 418.831 3.823 0 1 HHAF CC(=O)Nc1nc2ccc(C(=O)NCCNCc3ccc4ccccc4c3)cc2s1 28967618 FLUKZDAKKYOZSL-UHFFFAOYSA-N 418.522 3.928 0 1 HHAF O=C([C@@H]1CC12CCN(CCc1ccccc1)CC2)N1CCN(C2CCCCC2)CC1 103243015 JNBBGRYENGIBBN-DEOSSOPVSA-N 409.618 3.808 0 1 HHAF CS(=O)(=O)c1ccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)cc1 61908671 ZMFSIXSNZXKQME-UHFFFAOYSA-N 409.442 3.779 0 3 HHAF O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(Cc1ccccc1)C[C@@H]2O 113637714 XGZOQJBQECHXJE-PZJWPPBQSA-N 420.431 3.575 0 1 HHAF COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@@H]1O)CO2 2356702405 BKXFJODAEBHQRW-TZYAJKAJSA-N 412.482 3.801 0 1 HHAF COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@H]3CNCc2ccco2)n(C)n1 2356849734 PMGFMLMVTPVNQX-WFXMLNOXSA-N 406.530 3.656 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)[C@H](O)[C@@]21C 33820918 DBKCKIVBUXCUCX-BZMIQDQQSA-N 406.563 3.657 0 1 HHAF COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82084697 WBHTYTWDRJRYTA-HNNXBMFYSA-N 402.497 3.608 0 1 HHAF COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1 89774824 BSDZATNMASVMIK-UHFFFAOYSA-N 415.335 3.736 0 1 HHAF CNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(Cl)c2[nH]1 144300865 UMMQEVUKWGPWCP-UHFFFAOYSA-N 422.876 3.923 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CC2CC2)[C@H](CO)N3C)c1 95878397 IIWHVAVRCQQMBD-JHMXWDHMSA-N 406.526 3.863 0 1 HHAF CC(=O)Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1 299857232 MMHUAKLGGDBLQJ-HXUWFJFHSA-N 420.469 3.828 0 1 HHAF Cc1cc(N2CCOCC2)nc(NCCCNc2ccnc3cc(Cl)ccc23)n1 653887796 GDKGOHSBQHPHRQ-UHFFFAOYSA-N 412.925 3.737 0 1 HHAF CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439459 AZEAFYCWQIULHW-HOYKHHGWSA-N 410.466 3.998 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CN(C(=O)OCc3ccccc3)C2)N1 587758769 DNMLHWSVENVCPU-ZDUSSCGKSA-N 419.294 3.970 0 1 HHAF COc1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346030 ARCPPMNGNDMYIP-NFBKMPQASA-N 408.381 3.879 0 1 HHAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587012070 MWHZSDXDXDQHPW-UHFFFAOYSA-N 404.904 3.963 0 1 HHAF COc1nccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957700 DKNBLAJOPPAKIC-QGTPRVQTSA-N 412.515 3.661 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)n2C)N1 587684426 QQWAMEHRNYXYQA-WPPNPWJKSA-N 403.093 3.708 0 1 HHAF Oc1nc(O)c2ccc(-c3cc(Br)c(Br)s3)nc2n1 587562811 LEIVWDXFNKJRLX-UHFFFAOYSA-N 403.055 3.690 0 1 HHAF CN1CCN(c2ccc3nc(-c4cnc(N)nc4-c4ccccc4Cl)[nH]c3c2)CC1 587061597 VYUKRKIEBCKSBK-UHFFFAOYSA-N 419.920 3.674 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587859018 UXIHEEWMFUKQRO-SVKFGRERSA-N 402.329 3.634 0 1 HHAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-n2nccn2)c1 167117692 HWYITMBMUBDYTG-LJQANCHMSA-N 406.486 3.928 0 1 HHAF Cc1c(O)ccc2c1[C@@H](c1c[nH]c3ccc(Br)cc13)N[C@H](C(=O)O)C2 963522612 FSIIOKKWVTYBFJ-MAUKXSAKSA-N 401.260 3.633 0 1 HHAF CC(C)(C)OC(=O)N1CCc2cc([C@H]3NCCc4c(C(=O)O)cccc43)ccc2C1 963136100 XZRWXXHRMLESPN-OAQYLSRUSA-N 408.498 3.913 0 1 HHAF COC[C@@H](CCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1)OC 13861682 BJVUMFJTYVBRMZ-GOSISDBHSA-N 411.571 3.899 0 1 HHAF CC(C)(Cc1ccccc1)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 169341388 XJJLAKCQJFLGAF-IPYJCREVSA-N 403.522 3.590 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OCC(F)F)ncc3F)C2)cc1 169709847 GYFZOWBGQZQECJ-SUMWQHHRSA-N 423.435 3.719 0 1 HHAF Cc1ccc2cc([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(N)=S)c3nnnn3c2c1 1857543091 DIVQJMIDMVIRSZ-SFHVURJKSA-N 421.917 3.634 0 1 HHAF O=c1cc(NCCCN2CCN(c3nccc4ccccc34)CC2)c2ccccc2o1 1857586698 HXMFOKMPLQPBHW-UHFFFAOYSA-N 414.509 3.965 0 1 HHAF CCCc1c(Sc2cc(C)cc(C)c2)n(OCCc2ccccc2)c(=O)[nH]c1=O 6381484 LHPWBOAEWTUWBL-UHFFFAOYSA-N 410.539 3.928 0 1 HHAF C/C(=C\[C@@H](C)Cc1ccccc1)CCCCC[C@@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 13368358 NLNJIEVMUWDLAZ-KZQNBOFPSA-N 420.502 3.753 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc2ccc(F)cc2)cc1 13441776 DSLWSJZWVSGFQM-NRFANRHFSA-N 419.518 3.853 0 1 HHAF CCCCCCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 28647647 CMTJGRFQHQIYOV-UHFFFAOYSA-N 410.956 3.655 0 1 HHAF Cc1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)oc2cc(O)cc(O)c12 45373392 UTHRZSRZUWELDB-UHFFFAOYSA-N 420.387 3.858 0 1 HHAF COc1ccc(C(=O)n2c(-c3ccc(S(=O)(=O)O)cc3)nc3ccccc32)cc1 66259281 HLGYLHPCLFWGAM-UHFFFAOYSA-N 408.435 3.647 0 1 HHAF CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(C)c1 71340784 KDOSMMYSHYZFQE-UHFFFAOYSA-N 402.390 3.938 0 1 HHAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc2ccccc2c1)CC3 82196133 LNQGYPRAMPIZHG-UHFFFAOYSA-N 424.460 3.873 0 1 HHAF CCOC(=O)C1=C(CC)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 96270338 MNARIJUQEZQKAI-NRFANRHFSA-N 410.470 3.855 0 1 HHAF C[C@](O)(c1ccccc1)c1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 100618785 MUKLAWDKMYGQSN-AJHZIAPWSA-N 414.509 3.863 0 1 HHAF CCc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C 101297011 GPMRETZXKYSKTH-WKILWMFISA-N 403.477 3.536 0 1 HHAF O=C(N[C@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 146276065 HGSIQHLBRZODEA-KNQAVFIVSA-N 415.472 3.640 0 1 HHAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1 169351841 KVRFORCQVWGMKC-UHFFFAOYSA-N 405.498 3.681 0 1 HHAF CC(C)(C)[C@@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1 221606112 XLGWOHXRFDSAJJ-QHCPKHFHSA-N 420.532 3.960 0 1 HHAF C[C@H](NCCCS(=O)(=O)NCCNc1cccc2ccccc12)c1ccccc1 299819395 CIYGJTHXHPLDIM-IBGZPJMESA-N 411.571 3.912 0 1 HHAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cncnc43)CC2)[C@H]1c1ccccc1 299847349 AQSATLITSNDZSM-BQFCYCMXSA-N 407.474 3.575 0 1 HHAF COc1cccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)c1 299866834 PNAOPOALRFDVMT-UHFFFAOYSA-N 417.469 3.973 0 1 HHAF COC(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2n1 587034509 NXKSLFRZRYYJGH-UHFFFAOYSA-N 414.487 3.766 0 1 HHAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cccc(O)c2[nH]1 587108397 LUFGHRGTGXWYOS-ZDUSSCGKSA-N 411.405 3.813 0 1 HHAF CN(C)CCOc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587202594 BMVGSEHJTGLMIG-SFHVURJKSA-N 404.555 3.985 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)[C@@H](C2)C3=O 587432295 VXLYOWRIGMOPAX-SCBYBQQHSA-N 415.445 3.823 0 1 HHAF C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551330 ZTZCYYJMVDTAIV-NQIIRXRSSA-N 407.813 3.965 0 1 HHAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597398 UVMKALZHHBSTJO-PREKQLOASA-N 409.438 3.876 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2F)N1 587724428 HXWBSGNPQVIYAM-HUTHGQBESA-N 416.287 3.754 0 1 HHAF CC(=O)SCc1cc(O)n(-c2cc(Br)cnc2Br)c1O 587940883 QDVGEMLKVALYSD-UHFFFAOYSA-N 422.098 3.588 0 1 HHAF COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)CN(C)C)co2)cc1OC 621431142 RHJIHWLJJBACSU-HXUWFJFHSA-N 408.498 3.867 0 1 HHAF COc1ccc(F)c([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1F 962673380 UNHBSIWRBVQKMP-XZOQPEGZSA-N 412.436 3.884 0 1 HHAF CCOC(=O)[C@]1(c2cc(OC)cc(OC)c2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962947502 NRIFUOLRQPEUBH-VOIUYBSRSA-N 408.498 3.916 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@]31[C@H]2CCO[C@@H]1CN(Cc1ccccc1)C2 963049832 AZWPBIGRXNCUFN-CLLDFNAGSA-N 415.537 3.505 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCCC[C@@H]1N(C)C)N(C(=O)c1ccccc1N)CC2 963161584 UKAJYBWYHCZZOF-OFVILXPXSA-N 423.557 3.684 0 1 HHAF CCO[C@H]1C(=O)N(c2ccc(OC)c(Cl)c2)C(=S)N1Cc1ccc(F)cc1 1857763758 BYXYTUGDXXKPOB-SFHVURJKSA-N 408.882 3.984 0 1 HHAF CO[C@H]1CCC(=O)c2c(O)c(-c3cc(O)c4c(c3O)C(=O)CC[C@H]4OC)cc(O)c21 1911583537 LPKDHIORBUNKFZ-IYBDPMFKSA-N 414.410 3.504 0 1 HHAF CC=Cc1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 2356406525 YWJJIZDJLXSKMI-RBZFPXEDSA-N 402.443 3.975 0 1 HHAF CC(=O)O[C@@H]1CC[C@](C)(OC(C)=O)[C@H]2O[C@@H](C[C@]1(C)O)[C@@H]1C(C)=CC[C@@H](C(C)C)[C@@H]12 2356406565 ZPPYQLRSVSXFFE-SQVYRKCQSA-N 422.562 3.797 0 1 HHAF COC(=O)CN1Cc2c(ccc([C@]3(C)CCCC(C)(C)C3)c2[C@H](C)C(=O)O)C1=O 2356787509 BLMWJDYVYQGMIM-LFVRLGFBSA-N 401.503 3.861 0 1 HHAF COc1ccccc1CN1[C@@H](CC(C)=O)c2cc(C(F)(F)F)ccc2S1(=O)=O 12478565 MCWSNNOYDCTLLP-INIZCTEOSA-N 413.417 3.939 0 3 HHAF CC(C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)C1=O 5977065 AEICBSNLQJQYRV-DENIHFKCSA-N 407.901 3.915 0 1 HHAF biogenic C[C@@](O)(CC(=O)O)C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 27439286 MTVLVZQBVTVBGN-VGSWGCGISA-N 412.511 3.813 0 1 HHAF COc1ccc2[nH]c(C)c(CCCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 28704783 RXOCPXFDDAFJBJ-UHFFFAOYSA-N 415.534 3.887 0 1 HHAF CCCN(Cc1ccc(C)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40918448 CFVBKFFMNHWGDI-JOCHJYFZSA-N 400.473 3.665 0 1 HHAF Cc1nc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)sc1C 49807715 GFFYKSCAUKNILG-SFHVURJKSA-N 422.572 3.702 0 1 HHAF COc1cc(OC)c([C@@H]2C=C(c3cc(OC)ccc3OC)NC(S)=N2)c(OC)c1 58528845 XQLOMJMGDKHMMZ-INIZCTEOSA-N 416.499 3.701 0 1 HHAF COc1cc(COc2ccc(C(=O)C3CC3)cc2)ccc1OCCN1CCOCC1 66157085 FICIWTWETURXSI-UHFFFAOYSA-N 411.498 3.578 0 1 HHAF CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCCO2)CN(Cc2nc(-c3ccccc3)oc2C)C1 71332694 NUPZHCQDIVOSOI-NRSPTQNISA-N 411.546 3.793 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 72283462 BSDIOOGSAAJMSR-JOCHJYFZSA-N 407.832 3.687 0 1 HHAF CC(C)Cc1cc(-c2oc3cc(O)cc(OCCCO)c3c(=O)c2O)ccc1O 85569478 SDLOLAHFJLSUKU-UHFFFAOYSA-N 400.427 3.537 0 1 HHAF biogenic,in-vitro COc1cc(/C=C2\CCCN3C[C@H](c4cnccn4)ON=C23)ccc1-n1cnc(C)c1 95572346 RQRYVRQLBRSJSQ-HPBYZVIZSA-N 416.485 3.544 0 1 HHAF OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95875538 ZLAMFFFFACPEQP-NXCFDTQHSA-N 414.553 3.568 0 1 HHAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1nc(Cl)c2ccccc2c1O 96910827 PVDFWPDMZYPBMH-INIZCTEOSA-N 409.829 3.501 0 1 HHAF COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1 100108912 YMBDSKWBQLBVHQ-JKHIJQBDSA-N 400.482 3.729 0 1 HHAF CC(C)OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707212 SEARFZADYOMAQA-IBGZPJMESA-N 418.497 3.539 0 1 HHAF C[C@]12CC[C@@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCSCC1 169714106 QLGRLIPMYCDDEH-IBEPOWJWSA-N 402.604 3.834 0 1 HHAF COc1cc2c(cc1OC)[C@]1(OC)C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 238745866 ASZODYHAJFTQPK-HYBUGGRVSA-N 424.449 3.766 0 1 HHAF CN1C[C@@H](c2ccccc2)N[C@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 473233234 BXUSPFXZJNJHSM-SIKLNZKXSA-N 404.449 3.667 0 1 HHAF NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586929147 BQJAFQXKQRKFKJ-UHFFFAOYSA-N 403.813 3.668 0 1 HHAF CC(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 586943333 RLPGOWADJXNFCU-UHFFFAOYSA-N 412.298 3.593 0 1 HHAF COc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cn1 586955078 SYVQUNCQDSMOCC-UHFFFAOYSA-N 422.510 3.688 0 1 HHAF O=[S@](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)CC1CC1 586961039 ZUGFMGYPYGBQCY-SANMLTNESA-N 423.947 3.676 0 1 HHAF CCCOc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br 586966181 AIPSQPPVYIKIPH-UHFFFAOYSA-N 411.281 3.608 0 1 HHAF N[C@@H](N=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586999246 WSTRVCZVUIPGIY-MMTGSJLXSA-N 401.220 3.948 0 1 HHAF N[C@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1F 587142700 LJZWRNJRMNDQBC-SNVBAGLBSA-N 414.076 3.865 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329831 AQUALELTUJSWMU-UPVQGACJSA-N 419.408 3.987 0 1 HHAF CN(C)/C=C\[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343819 VMJWNIKXSQAFCA-XFYCYCRDSA-N 407.445 3.595 0 1 HHAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 587653524 BCRSPXWEJWZLLC-ZDUSSCGKSA-N 405.882 3.727 0 1 HHAF CCOc1ccc(-c2nn(-c3nccnc3C)c(=O)c3ccccc23)cc1OCC 587668363 AOTGFUGVWFIQHW-UHFFFAOYSA-N 402.454 3.949 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587737000 VHPSDRKFPSXRIE-XTZNXHDOSA-N 405.246 3.672 0 1 HHAF CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798078 NSMHJOMNUXGLGV-XZXUTIKLSA-N 400.288 3.821 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808763 OOOUZPSJEKQIOD-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nnc(O)c2ccccc12 587862550 RHTLFTXQDQMTKF-UHFFFAOYSA-N 414.343 3.915 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(CC(=O)c1ccc3c(c1)OCCO3)N(C)[C@@H](C)C2 962628057 GSBGCPPQDNAHQT-OWJWWREXSA-N 411.498 3.840 0 1 HHAF CS(=O)(=O)C[C@]1(c2cccc(F)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962709462 OBPMFTLCWBGXTG-UWJYYQICSA-N 423.550 3.617 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CCc3ccc(OC(F)(F)F)cc32)N1 963220723 FKLQFNGBVJKWHV-CTNGQTDRSA-N 414.383 3.922 0 1 HHAF Cc1[nH]c(=O)nc(NNCc2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 1644496 PGGUWDCNCVYASA-UHFFFAOYSA-N 418.284 3.754 0 1 HHAF C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O 3814319 MULTXXBUCOCYME-HYYMDVBZSA-N 420.444 3.620 0 1 HHAF investigational Cc1ccc(C[C@@]2(CCC(=O)N(C)Cc3ccc4nccnc4c3)CCC(=O)N2)cc1 12281143 YKFPKVLZFWSHIR-VWLOTQADSA-N 416.525 3.568 0 1 HHAF COCCCNc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794744 ZYOXAUHXWHGBMP-UHFFFAOYSA-N 419.327 3.853 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)[C@H]2O 15262595 MRIJYJFSLKIHCK-CSJMPQKXSA-N 402.443 3.675 0 1 HHAF biogenic CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1cccc(NC(C)=O)c1 27870277 ZIFJKYODHHQQLQ-NRFANRHFSA-N 409.486 3.908 0 1 HHAF O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F 28229594 IJVKHXWSLDAOCX-FAPRRBDYSA-N 403.903 3.794 0 1 HHAF CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1 29126213 KGQIQERWVKNENW-UHFFFAOYSA-N 423.485 3.520 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 33820846 IVUZTHWHICWXQP-XLHJKXGJSA-N 404.547 3.865 0 1 HHAF Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)no1 40834591 PRFYFORHMSQLNL-UHFFFAOYSA-N 406.464 3.732 0 1 HHAF CCCc1cc(=O)oc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(OC)c12 70463287 RIPTZMUHHNAOHQ-UHFFFAOYSA-N 407.466 3.961 0 1 HHAF N=C(N)SCCOc1oc(=O)c2cc(NC(=O)c3ccccc3)ccc2c1Cl 70463320 BZRRVASFHKJCJI-UHFFFAOYSA-N 417.874 3.704 0 1 HHAF Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2CCCN1CCCC1=O 82180463 LEJSDFDFMWMJQO-UHFFFAOYSA-N 406.534 3.883 0 1 HHAF COC(=O)[C@@]1(OC(C)=O)C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 104369513 USYOOQFISINJLZ-MSYRZEBLSA-N 406.519 3.959 0 1 HHAF in-man CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1 139045019 CDURXQVCODOKPX-QFIPXVFZSA-N 420.488 3.847 0 1 HHAF CC(C)(C)CC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 299812766 RHYRXROSVKTLCJ-FXGMCZNCSA-N 423.553 3.642 0 1 HHAF COC(=O)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cn1 587184790 WJDKFKQDCIRMAB-WAYWQWQTSA-N 405.195 3.520 0 1 HHAF O=C(O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355553 VICUHGCBKZXZSG-QPPBQGQZSA-N 420.392 3.830 0 1 HHAF COc1cc2c3c(c1)OC1(c4ccccc4N(CC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587434727 ACHVXPJIPKPKHN-SFHVURJKSA-N 413.429 3.923 0 1 HHAF COCCN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587571454 KZGBVDGJIKXTSX-REWPJTCUSA-N 406.438 3.573 0 1 HHAF CCn1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587581181 KLFBVBCNXCSHBW-GLKBCMMNSA-N 405.454 3.541 0 1 HHAF CCC1=C(C)N[C@@H]2N(CCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1=O 587791641 MHJOUUXJKFIYHM-LAOHPYGUSA-N 422.342 3.553 0 1 HHAF CC(C)(O)c1ccc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962670374 QLULWFUXOGBSQY-RPBOFIJWSA-N 404.510 3.824 0 1 HHAF COc1ccccc1[C@@]1(c2ncccc2C)NCCc2ccc(C(=O)N(C)C)cc21 962926329 BBSRYXUHEDSAHK-RUZDIDTESA-N 401.510 3.538 0 1 HHAF CCC[C@@]1(c2c[nH]c(C(=O)NCc3ccc(F)cc3)c2)NCCc2c(C)ccnc21 963068717 CMOJHOBLDDYMQI-DEOSSOPVSA-N 406.505 3.977 0 1 HHAF C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177420 IMUCYVQYIXVOSV-XIKOKIGWSA-N 413.779 3.950 0 1 HHAF C[C@H](NC(=O)N(C)C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](O)C2)cc1 1772578952 JKHKZDAKLLTWSI-XDHUDOTRSA-N 423.557 3.857 0 1 HHAF COc1cnc2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12 1772638204 GBNSKQWRSBCCAG-UHFFFAOYSA-N 411.889 3.658 0 1 HHAF Brc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)s1 1772639294 ZHGLVRFKUKDKKV-UHFFFAOYSA-N 417.336 3.809 0 1 HHAF CC1CCN(C2CCN(S(=O)(=O)c3sc(Cl)nc3C3CC3)CC2)CC1 1857554296 MELGSRDPILTZGI-UHFFFAOYSA-N 404.001 3.559 0 1 HHAF CN1C(=O)S/C(=C\c2cc(OCc3cccnc3)c(O)cc2Br)C1=O 1857563669 WATLDEWGHGQKSH-UUASQNMZSA-N 421.272 3.795 0 1 HHAF CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(-c2c(F)ccc(F)c2F)n1 1857774727 UDEFPGKKYLPTNZ-LSDHHAIUSA-N 423.416 3.709 0 1 HHAF CC1(C)C[C@@H](NC2CCC2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 2356835540 KSPMJSGJUWWFFP-JQOLTRQRSA-N 413.606 3.956 0 1 HHAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@H](O)CC)cc1 774074 UONKYPXVPBGNQU-QGZVFWFLSA-N 410.470 3.917 0 1 HHAF CC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)[C@H](O)[C@H](O)[C@](C)(O)CC[C@H]12 2356326296 WMNBQKASDSMKDY-NLELQGIRSA-N 406.607 3.665 0 1 HHAF CCCC[C@](C)(OC)[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 2356342762 GGDWDKDPRJFMHD-DUIOMNELSA-N 412.567 3.579 0 1 HHAF CO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5 3823673 LTINLXQNRDIHHA-LJYZBVLISA-N 402.494 3.621 0 1 HHAF Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccn2)c1 4858735 CCZMXVHFBZBCDK-SFHVURJKSA-N 409.515 3.544 0 3 HHAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@H]3C2)n1 116824075 HVESSTMOZKWUSV-OYRHEFFESA-N 410.521 3.873 0 1 HHAF CCOc1cc2c(cc1OCC)[C@H](CC(=O)O)N(C(=O)NCc1ccccc1)CC2 20515459 PMKWNCMSFVOBOS-IBGZPJMESA-N 412.486 3.768 0 1 HHAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61902278 WOFKVLAYDKYDSP-HSZRJFAPSA-N 418.405 3.538 0 3 HHAF CN1CCN(C2=Nc3cc(I)ccc3Nc3ccccc32)CC1 28948640 IWISDWLQUURCRG-UHFFFAOYSA-N 418.282 3.674 0 1 HHAF COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 64361405 DJZLXXVDCSALDG-QFBILLFUSA-N 423.513 3.555 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(I)c2)C[C@H]2CC[C@H]1N2C 253637631 BPVNLZVHXOKPAU-FKGLVLAHSA-N 419.690 3.684 0 1 HHAF Cc1cc(Oc2ncccc2OC(F)(F)F)ccc1-c1c(C)c(O)nc(=O)n1C 261172652 UCWIFEACGAODMK-UHFFFAOYSA-N 407.348 3.856 0 1 HHAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)[C@@H](CC(C)C)C1 618020268 VHDFJAZJRCQXDD-HNNXBMFYSA-N 424.460 3.730 0 1 HHAF Cn1cc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cn1 587612235 LKVULDJBPMNPAU-FXAWDEMLSA-N 405.435 3.952 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 587769564 OACDYXBIUQQJBM-JDNHERCYSA-N 411.271 3.633 0 1 HHAF O=C1C[C@@H](c2cccc(OCCN3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518300 FFMCXXUVKOMRQN-DEOSSOPVSA-N 407.510 3.983 0 1 HHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C 586932871 KJKJSELYOVPBPD-HXUWFJFHSA-N 415.563 3.811 0 1 HHAF COc1ccc(C)cc1NCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587229196 RHOVKLCCVPCJBI-UHFFFAOYSA-N 418.501 3.984 0 1 HHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1 586936615 SOJDLQHISZQVLV-UHFFFAOYSA-N 410.499 3.824 0 1 HHAF CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCOC3)c(=O)c3ccccc23)cc1OCC 587669868 QNBDEXOPYUCAGH-QGZVFWFLSA-N 422.481 3.928 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 587789208 BJIKIVFYUZWLSU-WWGWPZPMSA-N 419.294 3.568 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587422825 UXPLXPVLYNFAJM-MQIPJXDCSA-N 401.381 3.657 0 1 HHAF COc1cc(CN2CCOCC2)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587519167 VYWQVTQLYCDYTA-JOCHJYFZSA-N 423.509 3.818 0 1 HHAF CC(=O)[C@H](C(C)(C)C)[C@@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963148863 PBWROUOPLNJZNN-JZKQVHKSSA-N 410.536 3.856 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)cc(OC)c(OC)c1Br 1772609332 FTAFLBDKDDVKGV-RKDXNWHRSA-N 422.113 3.971 0 1 HHAF O=S(=O)(NOCC1CC1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772654495 MWNZTBJPOZHBKG-HEHGZKQESA-N 404.454 3.926 0 1 HHAF O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 13560170 NEUNGUZCDMOARR-UHFFFAOYSA-N 403.954 3.562 0 1 HHAF CN1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 13660655 DCGILZCLOORGQM-MDASCCDHSA-N 414.431 3.747 0 3 HHAF CC(=O)Oc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1C 206023716 UWJGPIREQOGLQT-RDTXWAMCSA-N 416.836 3.588 0 3 HHAF CN1C(=O)[C@]2(N=C1N)c1cc(CCC3CC3)ccc1CC21CCC(OC(F)F)CC1 201243397 ICEWIUVLYPPZQQ-JTPBLVHTSA-N 417.500 3.736 0 1 HHAF COC(=O)[C@H]1CCc2cc(Nc3nc(C)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2N1 203005080 VYSYZZKSGBFAGS-QGZVFWFLSA-N 419.489 3.772 0 1 HHAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)cn4)C3)ccc2n1 1857640956 FCXBIWNQZDIOLN-UHFFFAOYSA-N 400.404 3.884 0 1 HHAF O=C(CN1CCN(C/C=C\c2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCC1 27707870 JJASUKKHMYLBLQ-HYMLKPMKSA-N 404.554 3.574 0 1 HHAF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356745064 AQDAYDTZHUECMQ-UJWKHUEPSA-N 420.634 3.911 0 1 HHAF CSc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941253 IKNJXDNJONONKL-UHFFFAOYSA-N 415.990 3.769 0 1 HHAF Cc1ccc(N([C@H](CO)COc2ccccc2)[C@H](CO)COc2ccccc2)cc1 64528487 JDAWFUWXGHWXSU-DHIUTWEWSA-N 407.510 3.681 0 1 HHAF COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2CC2CC2)c1 73141882 DPHAPVAPTOYCQR-UHFFFAOYSA-N 401.470 3.775 0 1 HHAF OCC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 136736608 HRIGHPKJBOCXKN-GQZKBPGJSA-N 412.618 3.661 0 1 HHAF N[C@H]1CCc2ccc(CNS(=O)(=O)c3ccccc3)cc2[C@@H]1Cc1ccccc1 88260825 IDSHSZLDIFDQLI-ZEQRLZLVSA-N 406.551 3.765 0 1 HHAF CC(=O)Nc1cccnc1-n1cc(CN2CCC3(CC2)OCc2ccccc23)c(C)n1 40892355 QGLLINOCHGVCFO-UHFFFAOYSA-N 417.513 3.556 0 1 HHAF CNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2)n2c1Cc1ccccc1-2 43012299 SNVABUQWFGBSKP-UHFFFAOYSA-N 405.454 3.761 0 1 HHAF CCCCNc1nc(N2CCC(C(=O)OCC)CC2)nc2cc(OC)c(OC)cc12 82129755 RBOKSZAKWREAIX-UHFFFAOYSA-N 416.522 3.639 0 1 HHAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1C(F)F 148079208 VYADNKLGQCGQJU-YRWFTTLQSA-N 415.488 3.624 0 1 HHAF O=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 96938053 LACQCZVMKLFXTH-IBGZPJMESA-N 418.324 3.616 0 1 HHAF Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@@H]2NC(=O)NCc1ccccc1 96284884 RATMGGWUORWQNG-HSZRJFAPSA-N 422.492 3.925 0 1 HHAF CCSc1nnc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)s1 68574020 KJZCADCRUILFPY-UHFFFAOYSA-N 418.182 3.847 0 1 HHAF biogenic CCOC(=O)C1CCN(c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587439492 UWMFJLVKLQMHKV-NTKDMRAZSA-N 421.493 3.963 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1)[C@@H](C2)C3=O 587439548 VHPCNCHMFBYMTO-RLEHGPGXSA-N 423.509 3.672 0 1 HHAF CC1=C(c2ccc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3c2)NNC(=O)C1 587134107 HYCKFEAFACTOHE-UHFFFAOYSA-N 408.380 3.831 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Br)c(Cl)cc21 587370092 BOFVZWWAWQUXQA-KRWDZBQOSA-N 407.651 3.806 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757989 VZSZVHGINILEPN-DXQTVPEBSA-N 413.331 3.736 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC5(CC4)OCCO5)cc1)[C@@H](C2)C3=O 587445933 ZGZGWCXVNGKJIB-WMZHIEFXSA-N 407.466 3.527 0 1 HHAF CCOC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586990089 UWPSYUQSWPDWTM-WLRWDXFRSA-N 401.418 3.560 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCC(O)CC1 587237746 VSRGNGNFPCGASL-UHFFFAOYSA-N 403.376 3.774 0 1 HHAF O=C1C[C@H](C2CC2)C[C@]2(C1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963197991 UXMVHGYNDJANON-LIXBPZJASA-N 401.812 3.932 0 1 HHAF COc1cccc([C@@]2(c3cc(F)ccc3F)NCCc3ccc(C(=O)N(C)C)cc32)n1 962926948 CIDRVNCRJLNOGJ-XMMPIXPASA-N 423.463 3.508 0 1 HHAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 13444618 XDXVWRAGPFLSNP-UHFFFAOYSA-N 413.518 3.665 0 1 HHAF CCCCCCOc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 13725141 KEAPEQBCDVILQF-LJQANCHMSA-N 423.473 3.924 0 1 HHAF O=C(CCCCCN1CCN(c2ccccn2)CC1)N[C@@H]1CCCc2ccccc21 14976033 XJYAXSYLDGSUII-HSZRJFAPSA-N 406.574 3.958 0 1 HHAF Cc1cc(C)cc(Oc2cncc(-c3c(C)nnn3C3CCN(C(=N)N)CC3)c2)c1 1857545172 MORPYTZBNWFODD-UHFFFAOYSA-N 405.506 3.588 0 1 HHAF COC(=O)CCc1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)c(CO)c2c1 1645373 GFOCZZIFHVDCBW-UHFFFAOYSA-N 400.427 3.724 0 1 HHAF COc1cc2c(c(O)c1OC)C(=O)[C@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 1654632 WZXGHJPWPNTBTF-DYESRHJHSA-N 403.434 3.839 0 1 HHAF C[C@@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccccc1 4845674 LOAFSWHUOUKUPQ-TURQNLIXSA-N 416.521 3.506 0 1 HHAF NCC1CCN(c2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1 113651615 GHAHLIVGSBTTLD-UHFFFAOYSA-N 401.923 3.772 0 1 HHAF NS(=O)(=O)c1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1 28125274 OIFFNJPKYAIXGC-UHFFFAOYSA-N 414.940 3.673 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@H]2C(C)(C)CCC[C@]21C 2356620814 FPTHFNAIWCRDNZ-KBICSIMZSA-N 420.590 3.910 0 1 HHAF CCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CCC)c1 14516276 NXXLFSOYYDAXLM-UHFFFAOYSA-N 416.426 3.585 0 1 HHAF biogenic c1ccc(CCc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1 38466835 JAVNRTSIFAPTQR-UHFFFAOYSA-N 402.498 3.809 0 1 HHAF CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccccn6)nc5c4)[nH]c3c2)CC1 72317517 QLJMJDOZNAQXQQ-UHFFFAOYSA-N 409.497 3.920 0 1 HHAF in-vitro COc1ccccc1CCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82143007 DWEKBWXWBSTZQX-UHFFFAOYSA-N 406.486 3.708 0 1 HHAF O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@@H]3[C@@H](C(F)(F)F)N2N1 137025480 IQDPLDKEGCGPJG-IETSOEAISA-N 400.351 3.509 0 3 HHAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc2c1OCCO2 45365072 RELREDUCQZXNEI-UHFFFAOYSA-N 403.394 3.672 0 1 HHAF COc1cccc(-c2csc(N3CCC[C@@H]3C(=O)NCCOc3ccccc3)n2)c1 82195705 JZFCKFZMEIFCFQ-OAQYLSRUSA-N 423.538 3.983 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CN[C@H]2CCc3ccccc32)cc1 199941185 BGBSOGLLWQBIAY-NRFANRHFSA-N 410.543 3.615 0 1 HHAF COc1ccccc1COCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 96937938 GOEKLXMYLAWJFH-IBGZPJMESA-N 420.509 3.876 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCC(=O)CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O 587453610 XPOYOEWPBIDUPC-YCRPNKLZSA-N 400.452 3.614 0 1 HHAF O=C(COc1ccc(Br)cc1F)n1ncc2ccc(Cl)cc2c1=O 587651252 FZOSVIFSKVKPOW-UHFFFAOYSA-N 411.614 3.671 0 1 HHAF Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587613232 NIYAXISUZRUSOE-XLIONFOSSA-N 421.434 3.968 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C 587829113 VYZODSMVPFCUSU-YPQORACKSA-N 424.310 3.798 0 1 HHAF COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587345827 GWRKDLVMQQDEPH-WMZHIEFXSA-N 405.381 3.746 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3cc4ccccc4o3)c(CN3CCOCC3)c2c1 587651579 WPEMHCKYCLXHPX-UHFFFAOYSA-N 410.495 3.817 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](N[C@H](CO)C(C)C)(c1ccccc1)C(=O)N2 1772576018 HUSZVVFPYFRMAR-ZJSXRUAMSA-N 405.498 3.761 0 1 HHAF C[C@H](NC(=O)[C@@H](C)O)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1 1772597705 DZYSAKZOLUKUDS-ZWKOTPCHSA-N 408.542 3.592 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@@H]2CCCCN2)cc1F 1772644262 FZJRGTLSZSRPGF-NSHDSACASA-N 418.947 3.681 0 1 HHAF Cc1ccccc1C(=O)c1cccn1CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 5143336 LHJTXWQAMBCQSE-QGZVFWFLSA-N 404.466 3.676 0 3 HHAF OCCOCCN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1 13861672 GLGWJWIVALMEKZ-UHFFFAOYSA-N 417.962 3.509 0 1 HHAF O=C1CCCCN1CC1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 169701634 REOQTRMOISIUKA-UHFFFAOYSA-N 424.463 3.746 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(C)cc2)c1 169706990 GUAAMRMWVQNUFX-LJQANCHMSA-N 402.498 3.875 0 1 HHAF COc1cc2c(cc1OC)-c1nc3ccccc3c(NCCCN3CCOCC3)c1C2 1857565129 UJLIHVAJISDPOF-UHFFFAOYSA-N 419.525 3.957 0 1 HHAF CC(C)n1cc(-c2nc(Nc3ccc(N4CCN(C)CC4)cc3F)ncc2F)cn1 1857574772 FFGZXYAKZXWEKL-UHFFFAOYSA-N 413.476 3.695 0 1 HHAF CCC(=O)Nc1nc(C)c(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)[nH]1 1857580400 HZZWIIXBEXVEAU-UHFFFAOYSA-N 408.483 3.925 0 1 HHAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2cccc(N)c2)CC(=O)O1 253641030 NXGMKIMFJSFPEY-PRHHUSOWSA-N 405.560 3.539 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 4546757 DKMGXGYXVWRENY-KFKAGJAMSA-N 402.466 3.696 0 1 HHAF COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1 13983953 QDPMNNPASKMUCE-ODXCJYRJSA-N 421.877 3.849 0 1 HHAF CC1(C)C[C@](C)(c2ccccc2)c2cccc3c(C4=NC(=S)NC4=O)c(O)n1c23 18029741 VOYIDWUPRXEHNZ-HSZRJFAPSA-N 403.507 3.996 0 1 HHAF O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25410755 HPSWQISJQIOUNK-UTKZUKDTSA-N 422.488 3.718 0 1 HHAF biogenic O=C1N[C@H](Cc2ccccc2)C(=O)N2[C@H]1Cc1c([nH]c3ccccc13)[C@@H]2c1ccccc1 26951663 VIISWPYIGCMBNW-CUYJMHBOSA-N 421.500 3.752 0 1 HHAF Cc1ccc2c(O)c(C(=O)NCc3ccc(NC(=O)c4ccccc4)cc3)cnc2n1 28526599 WSOLOFVPWSPKSR-UHFFFAOYSA-N 412.449 3.826 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCCOc1ccc(C[C@@H]2OC(=O)NC2=O)cc1 29326400 QRRABPHNKGWEMO-FQEVSTJZSA-N 406.438 3.839 0 1 HHAF CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C 40440200 HKMYJCGBZHDCCU-KJFLTHLTSA-N 420.619 3.789 0 1 HHAF N=C1ON=C(N)[C@H]1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 45245254 KMUPFVBEIFIZQB-GDBMZVCRSA-N 404.253 3.961 0 1 HHAF CN(C)CCCOc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cn1 72118288 QPFVXQGTWSDAJK-UHFFFAOYSA-N 400.486 3.926 0 1 HHAF CCCNc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 95574150 QVOSIQNMULYAJW-INIZCTEOSA-N 402.539 3.657 0 1 HHAF COc1cccc2c(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)c(C(F)(F)F)nn12 96933417 SZWIWEJHSXQNFT-UHFFFAOYSA-N 421.162 3.554 0 1 HHAF COc1ccccc1OCCNC[C@@H](O)CNc1ccc2[nH]c3ccccc3c2c1 96939510 GIDIQHKNIVZBJF-GOSISDBHSA-N 405.498 3.771 0 1 HHAF COc1ccc(-c2c[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)c2)cc1 149924497 GCGQJJLZEUBSHE-UHFFFAOYSA-N 412.453 3.874 0 1 HHAF C#Cc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C 165256719 BYPNAYSWCCERGN-UHFFFAOYSA-N 415.459 3.995 0 1 HHAF O=C(NCCn1c(C(F)(F)F)cc2ccccc21)c1ccc(N2CCOCC2)cc1 169351852 DYZINRHYBHPUGV-UHFFFAOYSA-N 417.431 3.927 0 1 HHAF Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 169355101 LBEMSNVHEADUTJ-UFYCRDLUSA-N 408.527 3.715 0 1 HHAF Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@H]4C[C@@H](C[C@H]1C4)C[C@@H]23 254194479 YZXGXCSVJCWIGP-AULZQNRCSA-N 409.574 3.661 0 1 HHAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@@H]23)ccc1O 257607396 WNEWYJBAIPHOET-UGCQDJOBSA-N 402.443 3.502 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586941152 PDNQLYUTRDLZSA-HJWRWDBZSA-N 411.405 3.860 0 1 HHAF CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@@H](C)n2nnnc2N1C 586989396 HOOKGJVLLVVMAZ-GFCCVEGCSA-N 410.437 3.580 0 1 HHAF CN1CCN(c2ccc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3c2)CC1 587121025 OFOGQJRMLVZEHI-UHFFFAOYSA-N 418.345 3.742 0 1 HHAF COc1nccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587167103 IDJGCJZLYBPTCK-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587198348 HLAJQTFCZRRGTR-UHFFFAOYSA-N 416.503 3.557 0 1 HHAF C[C@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353224 MPBZYEMJRGHNOV-BGWNEDDSSA-N 422.408 3.924 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@H](C(=O)O)[C@H]32)c1 587361966 BTTHBSZYSCUPGF-JCHSIQAQSA-N 400.434 3.969 0 1 HHAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541245 AABBCIUJNZDKAX-KSSFIOAISA-N 411.237 3.850 0 1 HHAF COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559217 ZPQGAIPJDQRBKY-LAUBAEHRSA-N 404.365 3.701 0 1 HHAF CC(C)(C)OC(=O)N1CC([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587581383 HHLGLRJXFUQMPX-JPYJTQIMSA-N 411.454 3.979 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 587736587 SLFFDGYYMZALRL-XTZNXHDOSA-N 405.246 3.932 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 587851494 WTHPUXVLNFXEKI-AYVTZFPOSA-N 404.326 3.677 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1S(N)(=O)=O 587859839 MROOBOWLJSYOGQ-UHFFFAOYSA-N 412.298 3.892 0 1 HHAF C[C@]1(c2cnn(-c3ccccc3)c2F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976231 ZICQWUJLUJLBBD-MGPUTAFESA-N 421.806 3.805 0 1 HHAF COC(=O)[C@@H]1SC2(CCCC2)SC[C@@]12N[C@@H](C)Cc1c(OC)ccc(OC)c12 963602682 ARWBLSWELUHLOO-FPSMJMQUSA-N 423.600 3.725 0 1 HHAF CCC[C@H](C)C[C@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963705981 SSKXYETWOQXXFK-KKPKCPPISA-N 424.541 3.668 0 1 HHAF COc1ccccc1[C@]1(CCCC2OCC(C)(C)CO2)c2c(cnn2C)CCN1C 963955574 QLHVCMPDZXVCGM-XMMPIXPASA-N 413.562 3.730 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3cccs3)c(OCc3cccnc3)ccc12 1772579156 CDJWZFUGOHIMEB-UHFFFAOYSA-N 421.478 3.727 0 1 HHAF Cc1cccc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cn(CCN3CCOCC3)c12 1772594069 GFXYOAPPHYULFS-UHFFFAOYSA-N 421.585 3.981 0 1 HHAF COc1ccnc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)c1 1857763059 ZUKQQYGHLFIREM-UHFFFAOYSA-N 407.380 3.821 0 1 HHAF CC=Cc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356399671 DCPVFFYMNRUMSC-ZUOKHONESA-N 404.459 3.961 0 1 HHAF COc1ccc([C@@H]2C=CCN(C(=O)C3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 18128200 DXTNEYKWSUJKDR-QFIPXVFZSA-N 408.473 3.713 0 3 HHAF Cn1c(SCC(=O)N2CCCc3ccccc32)nc2c3ccccc3nc-2c1O 100705228 BBBYBLWVBZTCDD-UHFFFAOYSA-N 404.495 3.850 0 1 HHAF CC(C)CCNC(=O)[C@H](Cc1ccccc1)N/C=C1\C(=O)Nc2ccc(Cl)cc21 66123597 FVPCCVAQCXDXFI-PHJXOXRPSA-N 411.933 3.996 0 1 HHAF CN(CCc1ccccn1)CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@@H]1CC(=O)O 2356314210 RSDUXCGQSIKBJR-UXHICEINSA-N 424.545 3.591 0 1 HHAF COCC=Cc1cc(O)c2c(c1)[C@H](COC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 2356572668 IWDGCLQHHMDLRR-PGRDOPGGSA-N 414.454 3.849 0 1 HHAF COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 22941849 CTAPRHUYCGFSKX-LAUBAEHRSA-N 423.557 3.559 0 1 HHAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cn1 2356727444 HSAGCWWNRFWOSL-IRLDBZIGSA-N 415.493 3.659 0 1 HHAF CCc1ccc(Br)c(S(=O)(=O)Nc2onc(C)c2Br)c1 26477248 YAVZYMOTSKGJQK-UHFFFAOYSA-N 424.114 3.871 0 1 HHAF Nc1ccc(-c2nc3c(N4C[C@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)cc1 36338426 KQDJDEWGSPCWAC-QUCCMNQESA-N 412.497 3.578 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCC[C@H](O)C1)C(=O)N2 219258999 UXFXOEGGFKVCDW-CYFREDJKSA-N 403.482 3.611 0 1 HHAF CC(=O)N1CC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1 139436077 RRYKCGNPFYSTNW-UHFFFAOYSA-N 412.449 3.927 0 1 HHAF COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@@H](N(C)C)C2 136509086 DUNOTSIJXJAZFG-CQSZACIVSA-N 424.950 3.577 0 1 HHAF O=C(COCc1ccccc1)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199716186 NESWUSVEWHLUHW-FQEVSTJZSA-N 400.906 3.554 0 3 HHAF CC1(C)C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49036205 ROOMENDPDNTBJY-OAHLLOKOSA-N 413.421 3.545 0 1 HHAF Cc1cc(Cl)ccc1B(OC(=O)c1ncccc1O)c1ccc(Cl)cc1C 195158271 PCHNISQAEJNRBM-UHFFFAOYSA-N 400.070 3.674 0 1 HHAF CC(=O)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O 147537930 KESIEKDTUBPOJW-AJSBUHFISA-N 400.471 3.948 0 1 HHAF O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877881 OYARCXHZSFONHV-UEVCKROQSA-N 403.457 3.878 0 1 HHAF COc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175373 MYAKLRIXBOSQBL-QAPCUYQASA-N 421.522 3.728 0 1 HHAF CSc1sc(-c2nc3ccnc(N)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920793 YIKKMOOJBOBNFT-UHFFFAOYSA-N 402.954 3.826 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 587229922 DKWCLSOWJJSXBR-KBPBESRZSA-N 408.340 3.979 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587727029 BEBQFFOBKOFHKJ-ZRNGKTOUSA-N 422.225 3.866 0 1 HHAF C[C@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609016 UHERVBUPFFWMHC-NZQKXSOJSA-N 424.474 3.814 0 1 HHAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1F 586984192 CNFBNZIGTABEAM-AWEZNQCLSA-N 406.255 3.893 0 1 HHAF O=C(OCCCc1ccc(F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 13441763 HRUORPRUXJLPNG-HXUWFJFHSA-N 405.491 3.545 0 1 HHAF C[C@@]1(O)OC(=O)C(c2ccc(Cl)c(Cl)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488613 STMDMLVEEZZZEO-GOSISDBHSA-N 413.278 3.573 0 1 HHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCO 13586221 RLQYLEQINVCBOQ-UHFFFAOYSA-N 400.479 3.814 0 1 HHAF CCc1c(CC(N)=O)c2c(OC[C@H](O)CC)cccn2c1Cc1cccc(Cl)c1 13758432 GHNRIQBWVAOEPL-QGZVFWFLSA-N 414.933 3.923 0 1 HHAF O=C(CCCCCN1CCN(c2ccccn2)CC1)N[C@H]1CCCc2ccccc21 14976037 XJYAXSYLDGSUII-QHCPKHFHSA-N 406.574 3.958 0 1 HHAF CCCCn1c(O)c2n(c1=O)CCN(C(=O)Nc1ccccc1-c1ccccc1)C2 169724976 CNZXSQOHTUPYAP-UHFFFAOYSA-N 406.486 3.870 0 1 HHAF CN1CCC(Nc2ccn3c(-c4cc[nH]c(=N)n4)c(-c4ccc(F)cc4)nc3c2)CC1 1857619278 ATWJNLKZIRYLJW-UHFFFAOYSA-N 417.492 3.516 0 1 HHAF CCN(CC)C(=O)c1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C 2931441 ICSZLXBAMPLANF-UHFFFAOYSA-N 409.559 3.808 0 1 HHAF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@@H](C)[C@H]3OC(=O)C(C)C 3781999 WEAUAVYOYHZPNX-GVIXEMILSA-N 408.450 3.784 0 1 HHAF biogenic CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(OP(=O)(O)O)c1 6718130 IPOUPTFGAKKVTI-SFHVURJKSA-N 424.340 3.558 0 1 HHAF CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 11661230 RGLTXRFAEREOPN-INIZCTEOSA-N 403.498 3.878 0 1 HHAF CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 20508506 LJARMFOYLFEMAY-VXKWHMMOSA-N 423.582 3.745 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(O)[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33820952 OGSDYCPNYNWUNN-QGGGRKECSA-N 408.579 3.593 0 1 HHAF CC(C)c1ccc(NC(=O)c2ccccn2)c(N2CCN(c3cnccn3)CC2)c1 84632619 UKUGQGNCVYMULS-UHFFFAOYSA-N 402.502 3.574 0 1 HHAF CC(=O)OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(I)cc1 100912866 FCQURNVPSIDFJC-JPRHISFUSA-N 423.294 3.720 0 1 HHAF COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)Nc1ccccc1 169686022 OZUYGRMDAUIGGV-CNNODRBYSA-N 421.497 3.598 0 1 HHAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc([C@@H](O)C4CC4)cn3)cc2n1 205635102 IPNBIDASHDPKHN-QHCPKHFHSA-N 416.456 3.828 0 1 HHAF CCCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 299810273 PKRSCLWRYRXOGB-PSLIKIDCSA-N 423.553 3.699 0 1 HHAF CN(C)C(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998999 ROLHFCGZEHUXMX-XQRVVYSFSA-N 414.259 3.926 0 1 HHAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(N)ncnc4[nH]3)cs2)cc1 587014228 MZAWDHCRBJVTLI-UHFFFAOYSA-N 423.502 3.996 0 1 HHAF O=C(NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1cc2c(s1)CCC2 587034778 LREMWWCNFAXMNA-UHFFFAOYSA-N 420.288 3.504 0 1 HHAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cnccc3[nH]2)CC1 587090882 ARIVYVYQTHEEQC-UHFFFAOYSA-N 400.401 3.763 0 1 HHAF COC(=O)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2n1 587113439 KEKDRGZBIZMUTO-UHFFFAOYSA-N 424.404 3.635 0 1 HHAF Cc1[nH]nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br 587542085 WSHSXBPEYXALPT-SCLBCKFNSA-N 401.216 3.889 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587716773 DWPOHIGGGBFCJV-VVVCHXIZSA-N 416.241 3.589 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 587723080 VJQJIUCNKBNBIJ-INWYIAFRSA-N 408.193 3.670 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 587747831 SDHLGLVJEAZEGB-WLRWDXFRSA-N 407.283 3.813 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 587773013 HESPVOVPWPSSFD-BIBXISHDSA-N 412.262 3.613 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631757 KXKRYYQLXPGBJR-FNZWTVRRSA-N 411.505 3.638 0 1 HHAF Cc1cc([C@]2(c3ccc(F)c(F)c3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccn1 963508539 KMDFDMMQIIVAHB-CVDCTZTESA-N 410.420 3.573 0 1 HHAF COC(=O)[C@H](C)NC(=O)c1ccc(Oc2nc3ccccc3nc2NC(C)(C)C)cc1 1772625856 ZYVBBSJCFIMFIW-AWEZNQCLSA-N 422.485 3.924 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)c(Cl)[nH]1 1857547401 KSYGWDIKEZBDSJ-MRXNPFEDSA-N 417.897 3.681 0 1 HHAF O=C(NC1CCN(c2nccc(Nc3ccc(F)cc3)n2)CC1)c1ccc(F)cc1 1857751367 NEBBTDSNFRYMNZ-UHFFFAOYSA-N 409.440 3.897 0 1 HHAF CCN(CC)C(=O)c1ccc(OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 1857751395 VHNVPTBUSLITAW-KRWDZBQOSA-N 406.523 3.919 0 1 HHAF CC(=O)c1ccc(OCc2cc(C(=O)N(C)CCOc3ccc(C)cc3)no2)cc1 12301775 KTTNJACZFODWET-UHFFFAOYSA-N 408.454 3.916 0 3 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2cccc(Cl)c2)O3)c1 61906150 WFFFNSCNXPHODA-NRFANRHFSA-N 421.884 3.980 0 3 HHAF CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1 205232092 MQHPXADYBWLPKO-CRAIPNDOSA-N 422.909 3.855 0 3 HHAF Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100101416 SZJHKEXYJBZEQH-ACHVPNTGSA-N 404.535 3.791 0 1 HHAF O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)c1ccco1 110757310 UTENLGCOJFODIH-GJZGRUSLSA-N 416.220 3.533 0 1 HHAF O=C(O)COCCCC[S@@](=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28871591 DHLHHBIFJDQXLJ-LJAQVGFWSA-N 410.495 3.800 0 1 HHAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)CC(F)(F)F)c1 114347006 GWQXSFUEKBLIOK-LLVKDONJSA-N 417.391 3.793 0 1 HHAF CN(C)c1ccc2cc(C(=O)NCCCCCC(=O)Nc3ccccc3N)[nH]c2c1 117582162 LJHGOODLFAKLNF-UHFFFAOYSA-N 407.518 3.745 0 1 HHAF CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(Cl)cc4)C3)n2)c1 118588419 SJYSXEUCXOFRPG-UHFFFAOYSA-N 409.877 3.501 0 1 HHAF COc1c(C(=O)N2CCC(F)(CNCc3ccc(C)cn3)CC2)csc1Cl 64548819 JJDBHPJMKRFOPM-UHFFFAOYSA-N 411.930 3.848 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@](C)(O)C2 14692436 LZUYISWUVHJQPR-DAOPMYJZSA-N 418.486 3.588 0 1 HHAF biogenic O=S(=O)(N[C@H](CO)C(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 40933713 LATPLQRCQYENSK-MRXNPFEDSA-N 407.944 3.873 0 1 HHAF O=C(Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1)N1CCOCC1 84596831 VLQXGUZUMLSXOK-UHFFFAOYSA-N 400.438 3.919 0 1 HHAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181398 UQAWTTMEZYCEJA-UHFFFAOYSA-N 424.936 3.982 0 1 HHAF COc1ccc(/C=C2\C[C@](CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1 40394531 ZOIJWFUAAKGRFV-VKNPPUGMSA-N 410.466 3.539 0 1 HHAF C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCC1CCCCC1 82083767 PMGSNXNQVMIJAC-AWEZNQCLSA-N 414.458 3.702 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)N2CCCCC2)cs1 82073254 BTVKIOBVJPVPOX-SFHVURJKSA-N 413.543 3.826 0 1 HHAF O=C1CCCN1CCCc1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144923448 CPCCTTNWFGLSKW-NRFANRHFSA-N 405.416 3.513 0 1 HHAF CC1(C)Oc2ccc(-c3ccc(OC(F)F)cc3)cc2[C@]2(COC(N)=N2)C12COC2 149354436 DBMWNPACPWCFOJ-JOCHJYFZSA-N 416.424 3.683 0 1 HHAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4ccnc(F)c4)c3CCN12 149113948 WVFRQPCEUDYPFL-UHFFFAOYSA-N 413.456 3.648 0 1 HHAF Cc1cc(Cl)ccc1-n1c(C)nc2ccc(C(=O)c3c(C)nn(C)c3O)cc2c1=O 299839843 ZQUNZOWVCHUPPT-UHFFFAOYSA-N 422.872 3.634 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)cncc4[nH]3)cc2)cc1 586944942 SQPHLZVQDMSZPM-UHFFFAOYSA-N 420.494 3.614 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=S)NC3CCC3)c(=O)c3ccccc23)c(O)c1 587669962 MLAOIEWVRILJAZ-UHFFFAOYSA-N 422.554 3.890 0 1 HHAF CC(C)OC(=O)C1(c2nc3ccc(I)cc3[nH]2)CC(F)(F)C1 587131450 IOPWUQCEMUKFJD-UHFFFAOYSA-N 420.197 3.786 0 1 HHAF CCO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NC 587701416 CUBJSKDHWVTMPZ-YLIHBOJQSA-N 411.237 3.977 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(CC(=O)OCC)CC2=O 587468283 DKMAZRXESXMXBP-JOCHJYFZSA-N 421.490 3.527 0 1 HHAF COc1ccc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1NC(C)=O 962762592 JPAIFGDODUSACX-YLJYHZDGSA-N 406.404 3.563 0 1 HHAF Cc1n[nH]c(C)c1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963466730 FAEMQAJGIOAKOA-UGKGYDQZSA-N 414.465 3.749 0 1 HHAF CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3c(OC)ccc(OC)c32)o1 963635381 MDVHMCNUQSAZRH-WLRWDXFRSA-N 413.392 3.814 0 1 HHAF COc1ccc(C(=O)NCc2ccccc2Cl)cc1OC1CCN(C(C)=O)CC1 11816052 RTMFADLYZUKUNS-UHFFFAOYSA-N 416.905 3.668 0 1 HHAF COc1ccc(C(=O)NCc2csc(C)n2)cc1OC1CCN(C(C)C)CC1 11839172 FWNNFDXOWQESMM-UHFFFAOYSA-N 403.548 3.642 0 1 HHAF CN1CCN(c2ccc(Cc3cc4cnc(CN)nc4n3C3CCCCC3)cc2)CC1 16052509 GCJSOJRPNOWSEH-UHFFFAOYSA-N 418.589 3.738 0 1 HHAF in-vivo CCCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709338 RULSJXSBDAXMLR-OXJNMPFZSA-N 414.525 3.922 0 1 HHAF CCOc1ccc(F)cc1[C@@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1 1857629809 JBDKBUQEDNLOOE-GFCCVEGCSA-N 414.886 3.969 0 1 HHAF COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C 767795 QMWAFKMUJMFCIJ-SJLPKXTDSA-N 403.276 3.638 0 1 HHAF Cc1ccc(NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(S)nc3c2)cc1C 3631928 FDMDWNBAMMNXET-KRWDZBQOSA-N 409.511 3.733 0 1 HHAF N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C1CCCCC1 3831804 IKGYVUZSXPRLMO-ZWKOTPCHSA-N 412.361 3.508 0 1 HHAF Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 13472332 YNNNCAAPQRZSHQ-UHFFFAOYSA-N 408.809 3.568 0 1 HHAF CCCN(CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1COc2cccc(OC)c2C1 13737052 ISIUTFCGQWDGHC-SFHVURJKSA-N 422.525 3.787 0 1 HHAF O=C(OCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccccc1 27305817 DHPUHTCQTDVDKE-FSSWDIPSSA-N 413.539 3.545 0 1 HHAF CC(C)c1csc(/C=C/c2cccc(NC(=O)[C@@H]3OC(C)(C)O[C@H]3C(=O)O)c2)n1 27424091 WLJRZJBDLOGSNM-RKQNLGICSA-N 416.499 3.980 0 1 HHAF C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CCS3)cc1 34079721 YGHFVIHLZKIRND-IZZNHLLZSA-N 402.566 3.798 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1cc(F)cc(F)c1 49113159 ABPUPKAKVGTPJW-SFHVURJKSA-N 409.845 3.830 0 1 HHAF O=C(NC1CC1)c1cnc(N2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 96901666 CHVMUQDAMVFRRS-UHFFFAOYSA-N 405.329 3.603 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5c(F)cccc54)ccc31)[C@@H]1CC[C@@H](C2)N1 100632587 UAMFLVKHUFKFFW-UGSOOPFHSA-N 409.486 3.858 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CCC[C@@H]1N2Cc1ccc(F)cc1 101480736 KBMHZDMOELXKBL-YSSFQJQWSA-N 417.912 3.995 0 1 HHAF CCCCCC[C@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231540 WQDPPRQETOFIOB-VIFPVBQESA-N 413.062 3.976 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCC[C@@H]1CO)C(=O)N2 219428997 KDQDHNOXXILEMY-NTKDMRAZSA-N 403.482 3.611 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccc(F)c(C)c3)C2)c1 299872010 ZQKXDCSHFOFDEM-GOSISDBHSA-N 408.477 3.954 0 1 HHAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586946011 FPJRPKSCMQSBRD-UHFFFAOYSA-N 421.522 3.835 0 1 HHAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586984871 PUOUISHSQJJPBQ-INIZCTEOSA-N 420.238 3.583 0 1 HHAF COC(=O)c1cc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1OC 586996490 VHFSENNOPUUDJM-UHFFFAOYSA-N 404.264 3.775 0 1 HHAF COC(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 587001435 ZRJJTYAJKVQPRB-UHFFFAOYSA-N 415.199 3.591 0 1 HHAF COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525549 MTAVZXQJEJGYPZ-URXFXBBRSA-N 407.466 3.576 0 1 HHAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833689 ORMDSCXVTKEOOL-CFZJUORYSA-N 414.315 3.840 0 1 HHAF COc1ccc(/C=C/Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c1 587930237 RGCBCHPVXVCVIZ-SNAWJCMRSA-N 404.470 3.592 0 1 HHAF CCn1ncc([C@]2(C(F)(F)F)c3cc(OC)ccc3CCN2CCCOC)c1C 961318063 FIFZZYJLVPNNIO-FQEVSTJZSA-N 411.468 3.921 0 1 HHAF Cc1ccc(C(=O)N2C[C@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cc1 2356360588 JLFLLUDTNNJSGK-IRLDBZIGSA-N 413.477 3.599 0 1 HHAF CCN(CC)C(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC 13661294 GUOUIGXFEWSFFH-MRXNPFEDSA-N 401.459 3.529 0 3 HHAF CCOC(=O)[C@H]1CCCN(C(=O)c2sc3nc(C)nc(N(CC)CC)c3c2C)C1 2925982 MQTMHTBEOOIVAC-HNNXBMFYSA-N 418.563 3.570 0 3 HHAF N=C(C(=O)O)[C@@H](c1c[nH]c2ccccc12)[C@@H](C(=N)C(=O)O)c1c[nH]c2ccccc12 2356342671 CKBGWXPNAUCVQQ-ROUUACIJSA-N 402.410 3.725 0 1 HHAF COc1c(OCC(F)(F)C(F)F)ccnc1C[S@@](=O)c1nc2cscc2[nH]1 8462256 UJFSIWKHBMCHCN-MHZLTWQESA-N 423.413 3.615 0 1 HHAF COc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCN(C)CC4)c3)nn12 73162557 HZDPYDDFQSGPAX-UHFFFAOYSA-N 414.513 3.900 0 1 HHAF CC(C)Nc1cc(-c2[nH]c(SC[C@@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40393528 TZUIGVDFKLFBTP-INIZCTEOSA-N 402.495 3.543 0 1 HHAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1S(=O)(=O)c1ccccc1-2 45374848 GOSMUWDRAYKZLJ-UHFFFAOYSA-N 401.447 3.938 0 1 HHAF C=CC1=C(C(=O)N2CCN(c3cccc(OC)c3)CC2)[C@@H](c2ccc(OC)cc2)OC1 82158499 OGQSVLZQUGHTIX-XMMPIXPASA-N 420.509 3.607 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccnc(Br)c2[nH]1 586973824 RHRNPNLJJQMQBR-AWEZNQCLSA-N 405.321 3.831 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc12 587155544 ZZQQVQIBMGYRRM-UHFFFAOYSA-N 420.400 3.568 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1 587241523 FGVMRANZFUTDMC-UHFFFAOYSA-N 414.531 3.855 0 1 HHAF COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587577771 LQWMHZCXGCNOBG-OFNKIYASSA-N 407.422 3.869 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2N)OCCO3)N1 587747973 TVDVUJUFAHQRPB-OVWNDWIMSA-N 407.283 3.739 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H](C(=O)O)NC[C@H]32)c1 587363695 SXCHUYOFEKYHQF-WCJKSRRJSA-N 400.434 3.969 0 1 HHAF COC(=O)c1cc([C@]2(CC(C)C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c[nH]1 962628328 LUGWUXXYQKGZDN-IQMFZBJNSA-N 400.519 3.985 0 1 HHAF COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2OC)cc1 13493227 PPRQKLCYUXVQBI-UHFFFAOYSA-N 420.513 3.996 0 1 HHAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 14977325 WIYUZYBFCWCCQJ-JSKMBAMBSA-N 414.505 3.573 0 1 HHAF Cc1c(C(=O)Nc2cnn(C(C)(C)C(=O)NCc3ccco3)c2)oc2ccccc12 206019351 XPCZJVZZUOESOO-UHFFFAOYSA-N 406.442 3.835 0 3 HHAF Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)n1 166155617 DCINXWXELPUCCO-QGZVFWFLSA-N 417.513 3.866 0 1 HHAF O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 203474665 GSIFKNUIOKAZLY-GFCCVEGCSA-N 405.886 3.976 0 3 HHAF Cc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1C/C(F)=C/CN 1857583662 SVIHWIJPHXHIBN-ATVHPVEESA-N 401.507 3.679 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)c(Cl)[nH]1 1857593783 QECSPAJWGOLPOS-OAHLLOKOSA-N 405.861 3.811 0 1 HHAF CNc1cncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)n1 1857750961 JIVNRJIBSORLDO-QGZVFWFLSA-N 422.920 3.633 0 1 HHAF COC(=O)c1ccc([C@@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)cc1 103532499 UXKRLCAQQNZHMG-SRIJWZPRSA-N 404.426 3.747 0 1 HHAF CN1CCN(c2cccc3nc(CN(C)[C@@H]4CCCc5cccnc54)sc23)CC1 59298990 CLMUUJGNNNEBSC-LJQANCHMSA-N 407.587 3.953 0 1 HHAF in-vivo CC(=O)N[C@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 29038591 ACZCVZUKGWGYJX-QFIPXVFZSA-N 420.582 3.784 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 27210149 ZNCGEILXPSPINR-NRFANRHFSA-N 410.470 3.691 0 1 HHAF COc1ccc2[nH]c([S@](=O)Cc3nccc(N4CCCCC4)c3Cl)nc2c1 29570992 BWWWXFGSYQGHPZ-MHZLTWQESA-N 404.923 3.918 0 1 HHAF COC[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1COC 28524238 JYRMLNKSZUUAKR-VSKRKVRLSA-N 414.477 3.524 0 1 HHAF COC(=O)[C@]1(C)C2=C(CC[C@@H]1OC(C)=O)[C@]1(C[C@H](c3ccoc3)OC1=O)[C@@H](C)CC2 2356421802 UXGNFHQNRCSBPH-KFYMUARQSA-N 416.470 3.885 0 1 HHAF O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccc2C(F)(F)F)CC1 29045964 ZVOUEDZXAGJSST-UHFFFAOYSA-N 421.444 3.765 0 1 HHAF COC[C@@H]1Cc2ccc(OC)c(OC)c2[C@@H](c2ccc(OC)c(OC)c2)[C@H]1COC 2356669336 XXPBZAWBQMPGDH-SPEDKVCISA-N 416.514 3.934 0 1 HHAF O=S(=O)(N[C@@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1 73162791 QLRFIQBPUCUWNR-IBGZPJMESA-N 409.442 3.944 0 1 HHAF CN(C(=O)Cc1ccc(F)cc1F)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71331968 VCVSRLREMYZFND-MRXNPFEDSA-N 412.436 3.563 0 1 HHAF CC(C)C(=O)N(C[C@@H]1CCCO1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 36184787 WCKOTYXZYFJSGH-VIFPVBQESA-N 420.375 3.623 0 1 HHAF COC(=O)[C@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82070895 HVFSUHTYLRXCJJ-ZETCQYMHSA-N 410.270 3.671 0 1 HHAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C[S@](C)=O)CC3=O 45256696 BJSJLRUHMIZYAK-JYCIKRDWSA-N 416.495 3.642 0 1 HHAF C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C[C@H](C)O1 224757942 VJCSRRUCILKYAQ-GJZGRUSLSA-N 406.461 3.781 0 1 HHAF CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NC[C@@H]1CCCO1 82193274 GDJLAKCYNXCBCZ-BBRMVZONSA-N 409.552 3.778 0 1 HHAF C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211162 JYLUNZCCPDUWRA-OAHLLOKOSA-N 418.522 3.872 0 1 HHAF OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 95875541 ZLAMFFFFACPEQP-TWJOJJKGSA-N 414.553 3.568 0 1 HHAF CCOC(=O)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)nc2)c1 96903448 CQJBXYSWHIUOHJ-UHFFFAOYSA-N 413.437 3.758 0 1 HHAF COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N32)c1 26771683 LTWBONAGKMEOFZ-ZJSXRUAMSA-N 417.509 3.517 0 1 HHAF biogenic CCCCCNC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 95604808 ZQXLMXRFMLUOGX-JOCHJYFZSA-N 416.481 3.947 0 3 HHAF O=C(c1cnc(-c2ccccc2)nc1)c1c(CO)oc2cc(Br)cnc12 587276010 IVEUYFVETULCRN-UHFFFAOYSA-N 410.227 3.771 0 1 HHAF COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 587410942 AJJOIOZREPZUBP-ACJLOTCBSA-N 403.228 3.733 0 1 HHAF CCOC(=O)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339512 QQFKIUAAFYHVEB-REWPJTCUSA-N 407.397 3.744 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081846 WHFDMIWSBVHPAW-UHFFFAOYSA-N 423.885 3.997 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3c[nH]nc3C)c(=O)c3ccccc23)cc1OCC 587668980 GYODDTQHHFKEEO-UHFFFAOYSA-N 418.453 3.581 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2Cc3ccccc3C2=O)N1 587776539 XGFUQTZBWNBWTD-MPBGBICISA-N 403.295 3.994 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)c1ccccc1N)(c1ccccc1)O2 587389633 LVQBQLJIIFFMBT-XMMPIXPASA-N 402.450 3.877 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)s1 587608924 ALEKZYVWNPZYQW-SIKLNZKXSA-N 409.463 3.993 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 586944239 OUYQBLUFBMBAFO-UHFFFAOYSA-N 418.931 3.861 0 1 HHAF CCOc1cc([C@@H]2c3ccsc3CCN2C(N)=O)ccc1OCC(=O)OC(C)C 962713645 PDJSCXSPYQGQRX-HXUWFJFHSA-N 418.515 3.503 0 1 HHAF COc1ccc2c(c1OC)[C@@H](CCc1cnoc1)N(C(=O)c1ccccc1N)CC2 963143726 TWCGSFROIWJNTM-LJQANCHMSA-N 407.470 3.646 0 1 HHAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H]2CCCOC2)N1C(=O)c1ccccc1 963449798 STEPCMOIAZIEFG-XUEUYAKLSA-N 404.466 3.787 0 1 HHAF Cc1cccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(Nc5cccc(F)c5)ncnc43)C2)n1 1772577041 LNGDUPWKUSIOFH-CALCHBBNSA-N 417.448 3.546 0 1 HHAF COC(=O)[C@H]1ON2O[C@H](O[C@@H]3CCCC[C@@H]3c3ccccc3)C[C@@H]3CC[C@H]1[C@@]32C 5923744 XGCDSOUVOLRBLD-ADRHBFTISA-N 401.503 3.965 0 1 HHAF CCc1noc(C)c1C(=O)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 12079723 CSDAITGULWWBNP-FQEVSTJZSA-N 411.527 3.973 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 13543193 OEKUSRBIIZNLHZ-SNNQMBQZSA-N 406.563 3.657 0 1 HHAF CC(C)c1nnc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@H]2c2ccccc2)s1 169688689 ZDTFAGXQRKCDIJ-LSDHHAIUSA-N 411.508 3.879 0 1 HHAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nc4ccncc4o3)C[C@H]2CS1 169708456 OTIZLFDINUQJQA-FUVFPRGESA-N 402.426 3.536 0 1 HHAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccc(C(N)=O)cc3)nn3ccnc23)n1 207348454 OSMXZXORIHTBDQ-OAHLLOKOSA-N 413.485 3.623 0 1 HHAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c(Cl)[nH]1 1857539382 UQWGNYLAEWDFNZ-INIZCTEOSA-N 401.898 3.981 0 1 HHAF O=C(NCCCCc1ccccc1)n1c2c(oc1=O)CCN(Cc1ccccc1)C2 1857552496 DSYUBJBLEABVPW-UHFFFAOYSA-N 405.498 3.580 0 1 HHAF O=C(NC1CC1)c1c[nH]ccc1=Nc1cc(-c2ccc(F)cc2F)[nH]c2nccc1-2 1857553460 ARYXQDNWDPAHJK-UHFFFAOYSA-N 405.408 3.912 0 1 HHAF CCn1c([C@](O)(c2ccccc2)c2ncccc2C)nc2ccc(CCCO)cc21 1857576530 JWMCJEAICHMDTE-VWLOTQADSA-N 401.510 3.969 0 1 HHAF O=C1N[C@H](C(=O)O)Cc2cn(c3ccccc23)CC=CCOc2ccc(Cl)c1c2 1857626675 FXUVHANSMHURSV-IBGZPJMESA-N 410.857 3.669 0 1 HHAF Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccc1 103233536 HXSWXRXBLJSSDO-UHFFFAOYSA-N 406.511 3.824 0 1 HHAF CC(C)NC[C@@H](O)COc1ccc(OCCOCCc2ccccc2)cc1Cl 29333080 OCOBMHGQEJFROT-LJQANCHMSA-N 407.938 3.716 0 1 HHAF C[C@@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(Cl)cc2)CC1 28952124 NFGNMJPMZYHRDW-NYHFZMIOSA-N 414.933 3.630 0 1 HHAF CC(C)c1cc(C(=O)NCCN(C)C)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 66259492 SROTXKAEQHZNHG-UHFFFAOYSA-N 414.535 3.683 0 1 HHAF Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1 22933661 IOBUHJRBMMLWMQ-UHFFFAOYSA-N 413.525 3.683 0 1 HHAF CNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1 64559583 VJEIRWRVFCVZSA-UHFFFAOYSA-N 416.441 3.715 0 1 HHAF COCCNC(=O)[C@]1(C)CCN(Cc2ccc3ccccc3c2Br)C1 61925925 SPSDTYKDIJYWAN-HXUWFJFHSA-N 405.336 3.577 0 3 HHAF CC1(C)OC[C@H]([C@@H]2OC(C)(C)O[C@H]2[C@H](c2ccco2)N(O)Cc2ccccc2)O1 504208741 OMPWHXSXUIWDHQ-FYQPLNBISA-N 403.475 3.884 0 1 HHAF biogenic CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 72139481 KIXCELKXTTZRLT-SFHVURJKSA-N 409.866 3.714 0 3 HHAF Cc1nn(C)c(C)c1-c1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2 40424546 XOWVWQMPGQEHDV-UHFFFAOYSA-N 423.542 3.755 0 1 HHAF Cc1cc(=O)oc2cc(NC(=O)c3cc(=O)c(OCc4ccccc4)cn3C)ccc12 49573649 LNKMSOBBNBKQJO-UHFFFAOYSA-N 416.433 3.631 0 1 HHAF O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCC[C@@H]1CO 82072909 GRXXDOGJHSOXFO-GFCCVEGCSA-N 408.298 3.976 0 1 HHAF O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncon1)CC2 84709940 JRFFZAUCHQRVNJ-UHFFFAOYSA-N 411.465 3.830 0 1 HHAF Cn1c(CN2C[C@@H]3C(COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2ncccc21 40918544 QIUAKUUKOPXXCA-SJPCQFCGSA-N 402.420 3.744 0 1 HHAF O=C1N(Cc2cccc(Cl)c2)c2cccn2S(=O)(=O)N1Cc1ccccc1 96938786 ODKBXOWCNBNPKJ-UHFFFAOYSA-N 401.875 3.877 0 1 HHAF O=C(O)Cn1c2c(c3cc(F)ccc31)C[C@H](Nc1nccc(C(F)(F)F)n1)CC2 145872985 RRPFALCWXMLRSG-LLVKDONJSA-N 408.355 3.643 0 1 HHAF CCCNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96939128 IUYSNQXMHWEVJW-KRWDZBQOSA-N 406.529 3.900 0 1 HHAF CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 299859592 IIDTUADQWHMXCU-UHFFFAOYSA-N 413.833 3.877 0 1 HHAF COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1OCC(=O)N1CCCC1 653905166 OCFKPBWOLRAQRH-YVLHZVERSA-N 412.873 3.843 0 1 HHAF Fc1cc2[nH]c(-c3cncc(I)c3)nc2cc1-n1cccn1 587186022 YSOCNQDAGSOTQZ-UHFFFAOYSA-N 405.174 3.554 0 1 HHAF CS(=O)(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998476 KXOZSWVQWJORHZ-GORDUTHDSA-N 421.272 3.628 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)CC2=O 587476442 CHGMCZMXHGJAQD-QHCPKHFHSA-N 416.470 3.691 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnccc3[nH]2)C[C@H](C)O1 586968167 LBPNIRBGQNYUHU-KBPBESRZSA-N 406.515 3.807 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Br)c(Cl)cc41)[C@@H](C2)C3=O 587416433 AWNOCSCILMKKRX-YPMLDQLKSA-N 420.646 3.706 0 1 HHAF COc1cc(C(=O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805349 GALNEEOZUNNKFC-YYSFKGJASA-N 424.266 3.927 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)s2)N1 587851496 WTHPUXVLNFXEKI-VXJOIVPMSA-N 404.326 3.677 0 1 HHAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5ccncc5[nH]4)[nH]c23)cc1 586953994 WYONRZHIIQPMKV-UHFFFAOYSA-N 419.466 3.916 0 1 HHAF O=C(O)c1cc(Br)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177634 RJZJDGQKZLJHMP-UHFFFAOYSA-N 405.227 3.825 0 1 HHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CC(=O)NC21CCCC1 961753829 YNBMADRNMOKRFV-XMMPIXPASA-N 411.546 3.866 0 1 HHAF COc1ccc(OC(C)=O)cc1[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962720086 YSXRXPMDCNIACH-XLIONFOSSA-N 407.388 3.530 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc3c(C(F)(F)F)nn(C)c3s1)NCC2 962927433 RBEXBSSZOUROAP-HNNXBMFYSA-N 408.449 3.591 0 1 HHAF CCOC(=O)[C@H]1c2c(C3=CCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc2N1C 1772641281 LNZZZORWIXALKJ-OAQYLSRUSA-N 406.461 3.800 0 1 HHAF O=C(O)[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 13730403 UBSHWCISTSWXML-QGZVFWFLSA-N 424.950 3.907 0 1 HHAF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709709 IUHCNOPBGCKYPN-KKSFZXQISA-N 411.502 3.945 0 1 HHAF CCC[C@H]1[C@@H](NS(=O)(=O)c2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041995 QBVDQVNBBNBAEJ-NHAYFPRASA-N 410.605 3.766 0 3 HHAF Cc1ncsc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)nc2)c2ccccc12 1857556557 LJIDFNMLSQZOIC-UHFFFAOYSA-N 417.416 3.938 0 1 HHAF NC(=O)Cc1ccc(-c2nc(=Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3[nH]2)cc1 1857749180 GOIICHGFAQNWAD-UHFFFAOYSA-N 418.888 3.744 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@@H](O)CC)c1 4206344 LLFGXFLGTLLIDV-DSKINZAPSA-N 416.905 3.718 0 1 HHAF O=c1c(-c2cccs2)nc2cnc(Nc3ccccc3)nc2n1C[C@H]1CCCO1 4239191 KBGKUJFMKJQWOL-OAHLLOKOSA-N 405.483 3.838 0 1 HHAF Cc1ccc(N2CC(=O)N(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2=O)cc1C 13763640 WRXQRIDLDWGZSK-UHFFFAOYSA-N 413.282 3.768 0 1 HHAF C/C=C(\C)C(=O)OCC(COC(=O)/C(C)=C/C)c1cc(OC)c(OC)c(OC)c1 14615196 CTQGAVDARMHSRT-VOMDNODZSA-N 406.475 3.815 0 1 HHAF CCN(CC)CCN1C(=O)[C@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21 26167209 XWKYFHABGKDOPE-FQEVSTJZSA-N 420.340 3.838 0 1 HHAF O=C(c1ccc(Br)s1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 49112286 HEIYORQOTBTUHY-IAGOWNOFSA-N 420.372 3.934 0 1 HHAF CC(C)N(CCN)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181218 OCPGHSVFLOYRDX-AWEZNQCLSA-N 409.374 3.975 0 1 HHAF C[C@H]1C/C=C\C[C@@H](c2ccc3c(c2)OCO3)NC(=O)[C@H](c2ccccc2)CC(=O)N1 95661932 HVIIOAJZRGDWQM-ZQPXHLQISA-N 406.482 3.601 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)[C@@H]1CC[C@H](C2)N1 113223023 MSSDMKJGEPOJRU-XLIONFOSSA-N 412.493 3.652 0 1 HHAF N=C(Nc1ccc2c(c1)SCCN2CCN1CCC[C@H]1C(=O)O)c1cccs1 113971570 GIHALEPUTQOSAI-INIZCTEOSA-N 416.572 3.647 0 1 HHAF CC(C)(C)NC(=O)c1cnn2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nc12 169283980 FNUKQFDNWARLGZ-MRXNPFEDSA-N 417.435 3.983 0 1 HHAF COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 169690125 OSMQIWXVTKJSHL-NHCUHLMSSA-N 403.434 3.748 0 1 HHAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3ccccc3)ccc1-2 209697515 DTXHMKXGUACENM-HXUWFJFHSA-N 404.466 3.603 0 1 HHAF COC1CCC2(CC1)Cc1ccc(OC[C@@H]3CC3(F)F)cc1[C@]21N=C(C)C(N)=N1 210676574 QSYNDUROVMEDHR-KRDJSGCQSA-N 403.473 3.837 0 1 HHAF Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1nc(CO)[nH]c1Cl 219055551 TXGQQRRZWPDFEA-UHFFFAOYSA-N 424.863 3.723 0 1 HHAF COC(=O)c1cccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c1 219736593 OHNAVMCWXSTXJU-XMMPIXPASA-N 417.505 3.938 0 1 HHAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)cc12 226037712 OYNCFAQASYCUJL-UHFFFAOYSA-N 410.493 3.645 0 1 HHAF CC[C@@H](c1nc2ccc(C(C)=O)cc2[nH]1)n1cc(I)c(C)n1 587185776 XNWPHWQXFGJNTB-HNNXBMFYSA-N 408.243 3.874 0 1 HHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(C2CC2)n1 587229647 JYZMHILFCJYDKQ-UHFFFAOYSA-N 407.474 3.626 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)O2 587407892 CORZWFZOPSARGE-HSZRJFAPSA-N 407.491 3.890 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 587414612 WNAOLFAUGDXXNO-QPPBQGQZSA-N 417.417 3.552 0 1 HHAF Nc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Br 587549459 XAEGGVBRQLUPKP-KBXCAEBGSA-N 413.227 3.835 0 1 HHAF CCn1c2ccccc2c2cc(NC(=O)Cc3ccc4c(O)nc(O)nc4n3)ccc21 587558357 RDQWCYVZAIBLSI-UHFFFAOYSA-N 413.437 3.745 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCOCC2)c1 587597511 VJTJRLJNVHPHAI-XUZZJYLKSA-N 403.434 3.932 0 1 HHAF COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587715544 CUBGETCNNPPYAI-XLFHBGCDSA-N 406.242 3.926 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2S(C)(=O)=O)N1 587735174 WVHOAOPLPQAFFL-XYZCENFISA-N 416.287 3.754 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 587769565 OACDYXBIUQQJBM-XXFAHNHDSA-N 411.271 3.633 0 1 HHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587786509 QVMGOVCSQOSOJN-OLZOCXBDSA-N 415.243 3.967 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587833773 IBYKZDRAMBJJTA-JEOXALJRSA-N 412.299 3.964 0 1 HHAF COc1ccc(CCCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC 587925958 UONSASKWGYMOKS-UHFFFAOYSA-N 406.486 3.511 0 1 HHAF COc1cc(C(C)=O)c(OC)n1-c1cc(Br)cnc1Br 587939542 GEHNMUBURNOXQE-UHFFFAOYSA-N 404.058 3.617 0 1 HHAF Clc1ccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)cc1 653702461 YKUJXXMNENNEMU-UHFFFAOYSA-N 408.893 3.774 0 1 HHAF CCCC(=O)C[C@@]1(C(=O)OCC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962631538 FCWWFAOQGMSPOR-GJZUVCINSA-N 420.553 3.951 0 1 HHAF Cc1cccc([C@]2(c3cc(F)ccc3F)NCCc3ccc(C(=O)N(C)C)cc32)n1 962930855 MVQFOXCASWONPV-DEOSSOPVSA-N 407.464 3.808 0 1 HHAF CCOC(=O)C[C@]1(CCc2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219288 DOJPOSZFJLNZAV-DHLKQENFSA-N 418.493 3.615 0 1 HHAF O=C(NC1CCC1)[C@H]1CN(c2ccccc2)CC(=O)N1c1ccc2ccsc2c1 1772570519 NRKWWGWUPXTZOL-HXUWFJFHSA-N 405.523 3.792 0 1 HHAF Cc1[nH]c2c(=O)n(-c3ccccc3)c(SCC(=O)NC3CCCCC3)nc2c1C 1772644195 BALGQQLOEAXWTD-UHFFFAOYSA-N 410.543 3.872 0 1 HHAF Cn1cc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC(F)(F)CC2)cn1 1772653089 AXUDCHXHIHEUEX-OAHLLOKOSA-N 417.287 3.929 0 1 HHAF CCCn1cc(-c2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2F)cn1 1857619568 BBGOVKUQYXBYSQ-UHFFFAOYSA-N 413.476 3.524 0 1 HHAF C1=Nc2ccccc2/C1=C/NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 13121979 BJHFAVPNZUEEEG-WUKNDPDISA-N 404.522 3.526 0 3 HHAF Cn1c(=O)c2cc(NC(=O)NCCc3cccs3)ccc2n1Cc1ccccc1 61928938 RCWMSEYTUZTJDD-UHFFFAOYSA-N 406.511 3.814 0 3 HHAF O=C(CNc1ccccc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O 1635933 UEUHRGKNDXZHEK-UHFFFAOYSA-N 404.857 3.899 0 1 HHAF COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1OC 4054109 ORMIWXJWDVNFQM-GMAHTHKFSA-N 420.465 3.748 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100649754 LLAHJYBITWOMNU-LUKWVAJMSA-N 407.510 3.871 0 1 HHAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccccn3)C2=O)CC1 64540075 YKMUZVIXBRZDHR-UHFFFAOYSA-N 418.541 3.944 0 1 HHAF O=C(CN1CCN(Cc2ccc(F)cc2)CC1)[C@](O)(c1ccccc1)C1CCCCC1 22940478 QROPBBWLUACBHA-SANMLTNESA-N 424.560 3.981 0 1 HHAF CCNC(=S)Nc1ccc2c(c1)c(=O)n(C)n2Cc1cccc(C(F)(F)F)c1 61896060 YMDGBIDZXMOHEI-UHFFFAOYSA-N 408.449 3.713 0 3 HHAF COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)Nc3cccc(O)c3)no2)cc1 8623752 MTLIQAAXDMLWSY-ROUUACIJSA-N 421.497 3.853 0 1 HHAF biogenic CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3ccc[nH]3)cc12)C(=O)O 73219972 URNSMGRITRSYDT-FQEVSTJZSA-N 412.467 3.969 0 1 HHAF CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 82072791 WBVSLHZIRZTQNF-HXUWFJFHSA-N 413.518 3.578 0 1 HHAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC3 82196050 YWBGQOFMADUSCO-VQTJNVASSA-N 424.504 3.617 0 1 HHAF O=C1OC[C@H](Cc2ccc(O)cc2)[C@H]1Cc1ccc(I)cc1 1911584526 ARZYEGYRNTXNDW-WMLDXEAASA-N 408.235 3.571 0 1 HHAF COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 199714082 DBNSFHRBLSAKGJ-FQEVSTJZSA-N 407.470 3.986 0 1 HHAF CNC(=O)Nc1ccc(-c2nc3snc(C4CCCCC4)c3c(=O)[nH]2)c(OC)c1 84620100 CTKAPFKIWCNTHI-UHFFFAOYSA-N 413.503 3.854 0 1 HHAF O=C(NC(=S)Nc1sc2c(c1C(=O)O)CC1(CCCC1)OC2)c1ccccc1 199133027 VNNQNVOTFSXEHY-UHFFFAOYSA-N 416.524 3.959 0 1 HHAF CN1O[C@]2(N=C1N)c1cc(-c3ccnnc3)ccc1CC21CCc2ccccc2CC1 141900553 UITLVASCSAREDX-RUZDIDTESA-N 411.509 3.610 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 95566828 LWQBUTMHJRXIKQ-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CCN1CC[C@@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 95587744 UOMNMGVDCUVYQY-DEOSSOPVSA-N 404.489 3.736 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95873219 LSOIOBVNZPBSCS-KMDXXIMOSA-N 408.517 3.654 0 1 HHAF COc1ccccc1OCCNC[C@H](O)COc1cccc2c1[nH]c1ccccc12 96939582 DROFGBXKPGGRDP-KRWDZBQOSA-N 406.482 3.738 0 1 HHAF CCCCCCOC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 95582366 APXHGZRGDOIAAO-UHFFFAOYSA-N 415.509 3.622 0 1 HHAF Cc1nc2ccc(OCc3nc4ccc(OS(=O)(=O)O)cc4s3)cc2s1 299829558 VWOZFBJZGTXYOM-UHFFFAOYSA-N 408.482 3.975 0 1 HHAF CC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339797 SSLQJMHJMZQOQQ-VWNXMTODSA-N 405.425 3.922 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595903 PTAFVMXZOBQIFT-NFBKMPQASA-N 406.390 3.867 0 1 HHAF Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391831 UGHCBTAHQUQGCG-DEOSSOPVSA-N 404.466 3.760 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587724468 IFYMQGRUNIOBON-HUTHGQBESA-N 416.287 3.754 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 586945019 BGNVOFSILVVXGC-CYBMUJFWSA-N 423.897 3.788 0 1 HHAF CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587569492 QNEJQNXHWJBOSR-UHFFFAOYSA-N 424.497 3.713 0 1 HHAF COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587588396 QIIJLRUPEMYLTH-NZQKXSOJSA-N 421.405 3.518 0 1 HHAF O=C(O)C1=COc2ccc(F)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587572205 UHSRELRUVDMSKN-XXBNENTESA-N 420.348 3.749 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587073117 BZQJKFSAFKJPTK-UHFFFAOYSA-N 409.877 3.937 0 1 HHAF O=[S@](CCCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1 586960312 OJRXYDJZGSPIFG-XMMPIXPASA-N 407.333 3.601 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(F)c(F)c(F)c4[nH]3)CC2)cc1 586955067 KMPYNKFDEHRJMJ-UHFFFAOYSA-N 409.433 3.857 0 1 HHAF Cc1nnc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)nc1C 1857635572 GKQSFJYZKZZBBF-UHFFFAOYSA-N 413.485 3.679 0 1 HHAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@@H]1c1cccc(Cl)c1 1857656457 JVVFJICPCKEIKC-GOSISDBHSA-N 403.916 3.798 0 1 HHAF COc1cc(OC)nc(NC(=S)NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 28566167 NZZINNAQPNXOKA-UHFFFAOYSA-N 418.862 3.534 0 1 HHAF Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 28456111 OQXUKSLAWJAXHJ-UHFFFAOYSA-N 415.803 3.691 0 1 HHAF CC(=CC[C@@H]1C(C)=C[C@@]23C(=O)[C@@H](C=C(C)[C@H](O)[C@]12O)[C@@H]1[C@@H](C[C@H]3C)C1(C)C)C(=O)O 2356812911 CAZLJSUHQGDXKU-IFHHHSNQSA-N 414.542 3.519 0 1 HHAF C[C@@]1(CO)[C@H]2Cc3sc(-c4ccsc4)nc3[C@H](CC(=O)O)[C@@]2(C)CC[C@H]1O 2356836530 LBSYNDMDCSIYJE-VXSCMTMISA-N 407.557 3.762 0 1 HHAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1ccccc1-c1ccccc1 35919048 FJLKJDQLCWWIGU-NRFANRHFSA-N 407.514 3.529 0 1 HHAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(S(C)(=O)=O)CC3)cc12 226102213 CEFCSVVSBXHZEW-UHFFFAOYSA-N 403.479 3.517 0 1 HHAF N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 88260871 KTSDIWWYGMIOMZ-SIKLNZKXSA-N 420.525 3.537 0 1 HHAF Nc1nc2c(cnn2CCc2cccc(-c3cccnc3)c2)c2nc(-c3ccco3)nn12 40933463 AIRHMBDFGCQOLF-UHFFFAOYSA-N 422.452 3.621 0 1 HHAF COc1cc2nc(N3CCC(CCO)CC3)nc(NCc3ccccc3)c2cc1OC 82127092 IBNYDFQXJRIHLI-UHFFFAOYSA-N 422.529 3.858 0 1 HHAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 141701537 WIYUZYBFCWCCQJ-ZFILCQGISA-N 414.505 3.573 0 1 HHAF Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(-n6ccnc6)ccc5[nH]4)c3N)ccc2[nH]1 149952752 STGSCEBJQRFOSA-UHFFFAOYSA-N 422.452 3.537 0 1 HHAF CCC[C@H](Oc1ccc(-n2cccn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 96269699 HORKZCCQSNMYFA-NRFANRHFSA-N 407.470 3.997 0 1 HHAF O=S(=O)(NCCCCN1CC[C@@H]2CCCC[C@H]2C1)c1cccc2cccnc12 254119897 MGDLYQHKHDZOSQ-ICSRJNTNSA-N 401.576 3.805 0 1 HHAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C3(C)CCC3)n2)c1O 299841058 XQCOJZVTCQDWHW-UHFFFAOYSA-N 411.911 3.909 0 1 HHAF N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1)c1ccccn1 653899292 OZFPEFIRRAQBFR-JOCHJYFZSA-N 410.481 3.701 0 1 HHAF O=C(CCc1nc2ccc3c(c2[nH]1)CCCC3)Nc1nnc(-c2ccncc2)s1 587024200 QCWXURMMVCBAME-UHFFFAOYSA-N 404.499 3.927 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)O2 587382301 ORKIYLOIKLPSLA-SFHVURJKSA-N 413.417 3.794 0 1 HHAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 587760034 NSRLJINSMRFTQW-OVWNDWIMSA-N 407.283 3.668 0 1 HHAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 1772619508 OQXLAYDVTKONPU-IYARVYRRSA-N 400.592 3.893 0 1 HHAF Cc1cc(=O)oc2cc(NC(=O)CCCCCCNC(=O)c3cccnc3)ccc12 1772622887 GYBXEVTXEKNFQG-UHFFFAOYSA-N 407.470 3.815 0 1 HHAF CCN(C)c1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)cn1 169709896 ZKQUEGSIABYOKB-HNAYVOBHSA-N 400.498 3.532 0 1 HHAF O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 103254449 HXYSMCBOTNAHBN-KTXOBNNYSA-N 400.429 3.542 0 1 HHAF Fc1ccc([Si@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 1857622001 GAOQEODVVZUJNQ-NGQVCNFZSA-N 416.616 3.983 0 1 HHAF CCCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1 1857753177 DEGUDXJXTJSIFF-GOSISDBHSA-N 414.512 3.929 0 1 HHAF CN1C(=O)[C@H](NC(=O)Nc2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21 13732814 AMWVZOVNBJVEHM-NRFANRHFSA-N 402.429 3.787 0 1 HHAF CCCCc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1 27643315 ZQPFZAOWHXBAOP-UHFFFAOYSA-N 408.590 3.812 0 1 HHAF O=C1NC(=O)C(c2cn(CCCN3CCCC3)c3ccccc23)=C1Nc1ccccc1 28387487 VAZATWWLIUPHOC-UHFFFAOYSA-N 414.509 3.607 0 1 HHAF C[C@@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1(C)C 28875161 MOEVSUFAWKYOMW-AOMKIAJQSA-N 417.509 3.605 0 1 HHAF Cc1ccccc1O[C@@H](c1ccc(I)s1)[C@@H]1CNCCO1 28881319 JUSXNKNTQUSUJZ-XJKSGUPXSA-N 415.296 3.770 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 45254072 FKUKLHAZIYEBJX-UHFFFAOYSA-N 400.438 3.733 0 1 HHAF CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 101853435 PMJIUNUHZLTRMR-RFZJPIJTSA-N 401.507 3.641 0 1 HHAF COc1ccc(CN(Cc2ccsc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 103252221 QCMGWVJSDVPQJW-UHFFFAOYSA-N 417.508 3.846 0 1 HHAF CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265328 ZXTOWIIPTCEZAY-HKUYNNGSSA-N 401.482 3.882 0 1 HHAF CCCCCCn1cc(CN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)nn1 103279632 FCIDOPYMWRKOIV-ZDLGFXPLSA-N 414.487 3.824 0 1 HHAF Cc1cccc(S(=O)(=O)NCCN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c1 114599451 PPJOGRKQEBFCCR-UHFFFAOYSA-N 413.518 3.683 0 1 HHAF C[C@H](NC(=O)[C@]1([S@@](C)=O)[C@H](C)C1(Cl)Cl)c1ccc(Br)cc1 140378101 VMASMYSTIDDLTO-IHOOPEAUSA-N 413.164 3.567 0 1 HHAF in-vivo CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCCF)nc3)C2)cc1 169709316 QOWOANVIAULSEY-HRAATJIYSA-N 401.482 3.675 0 1 HHAF CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C 194864987 VDMGYZRQGVMXIO-GTAWCEEGSA-N 418.562 3.613 0 1 HHAF COc1ccc(C(=O)N2Cc3ccccc3[C@@H](OCc3ccccc3)[C@@H]2CO)c(O)c1 299870694 WSLNCBNAAXUECZ-LADGPHEKSA-N 419.477 3.676 0 1 HHAF Oc1nc2cc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2[nH]1 586999851 COLJDHZLIDYRJN-OWOJBTEDSA-N 413.231 3.849 0 1 HHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587076684 YXERDPBFOJPGQS-UHFFFAOYSA-N 415.906 3.628 0 1 HHAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)cnc2[nH]1 587141317 OZGFCIBMHIZQMN-OAHLLOKOSA-N 414.865 3.955 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587229356 AIYPBTDQJZCVCA-OALUTQOASA-N 405.498 3.830 0 1 HHAF CCOC(=O)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339511 QQFKIUAAFYHVEB-OFNKIYASSA-N 407.397 3.744 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)c(Br)c1)O2 587377118 LBPOUVGCKUODHK-IBGZPJMESA-N 417.303 3.883 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 587388247 ZBQLHSDBXQXHCC-OXQOHEQNSA-N 411.502 3.690 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(OC)cc1OC)CC2=O 587485045 YDSCPAXXKBKLBN-HSZRJFAPSA-N 414.454 3.786 0 1 HHAF O=C(Cc1cn2cc(C(F)(F)F)ccc2n1)n1ncc2ccc(Cl)cc2c1=O 587651805 OXTULJMDHFTXCC-UHFFFAOYSA-N 406.751 3.599 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3nccnc3C)c(=O)c3ccccc23)c(O)c1 587664773 IXMCWTFNIARXIR-UHFFFAOYSA-N 401.470 3.703 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 587755549 AUWWJARFCFNCDB-BLVKFPJESA-N 401.283 3.967 0 1 HHAF CO[C@H](C)c1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 1772574228 SUQHAYCAQYBTIP-DAXOMENPSA-N 403.490 3.539 0 1 HHAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](CO)c4ccccc4)cc32)[nH]1 1772580723 ZACPVCGQIBUDSQ-BHSBJAHRSA-N 401.466 3.588 0 1 HHAF O=C(O)C[C@H](c1c(O)c2ccccc2oc1=O)c1cc(=O)oc2ccc(Cl)cc12 1857634205 LLWGUGLZKNSYPP-AWEZNQCLSA-N 412.781 3.865 0 1 HHAF COc1cc(/C=C/C(=O)O[C@H]2Cc3c(ccc4ccc(=O)oc34)OC2(C)C)ccc1O 1857752514 SYNXIZIUKILZJY-JOCSGSGBSA-N 422.433 3.846 0 1 HHAF CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(CCN)c3)c(F)c2)ccn1 1857754669 BMZZYRDMZZMRSM-UHFFFAOYSA-N 423.448 3.518 0 1 HHAF COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)c(F)c1 1857764169 NANSEMCRWOKEMY-HXUWFJFHSA-N 424.407 3.618 0 1 HHAF CC(=O)N1CCC(c2nc3ccccc3n2[C@@H](C)C(=O)NCc2ccccc2)CC1 199230067 GKDWAEYCARCHCW-KRWDZBQOSA-N 404.514 3.640 0 3 HHAF O=S(=O)(c1ccc(N2CCNCC2)cc1Cl)c1c[nH]c2ccc(Cl)cc12 3948967 RMFJRKWIQAACGL-UHFFFAOYSA-N 410.326 3.717 0 1 HHAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4053227 PVCDJTCVRRXCAW-FUPPJEDESA-N 419.525 3.687 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@@H](O)CC)cc1 4205399 RPRJIHGYZYNICB-DSKINZAPSA-N 416.905 3.718 0 1 HHAF CCO[C@H]1Oc2cc(OC)c(OC)cc2-c2c1oc1cc(OC)cc(O)c1c2=O 14715279 KLMKGDIYOORAED-NRFANRHFSA-N 400.383 3.619 0 1 HHAF biogenic CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C[S@@](=O)CCOC(=O)c2ccccc2)C1 36271550 ZLQIMBGPLMNTJT-BDHWGLMFSA-N 419.974 3.981 0 1 HHAF CC(C)CCN1[C@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O 49116093 GYHHSTMZZKYFOX-QFIPXVFZSA-N 412.511 3.866 0 1 HHAF Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3 64528425 AJBWZNMIEOMJCC-ZONZVBGPSA-N 412.533 3.749 0 1 HHAF COc1ccc(C(=O)Nc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1 71296595 PFNHXNIDPJSOBS-UHFFFAOYSA-N 419.466 3.973 0 1 HHAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCC(C)(C)N(C)C 82082775 RSWRNINXDPNCRM-QGZVFWFLSA-N 418.563 3.525 0 1 HHAF O=C(c1ccc(Oc2nccnc2N2CCOCC2)cc1)c1nc2ccccc2s1 103283519 DVBCTQVDMKFPPK-UHFFFAOYSA-N 418.478 3.946 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@@H]3CC(=O)NC3=O)cc1)O2 142839600 ZFMLMSWJWJBTEO-CJAUYULYSA-N 423.509 3.685 0 1 HHAF O=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cccnc1Nc1ccc(F)cc1 169352340 IPURJDIXIKDDMX-UHFFFAOYSA-N 420.423 3.673 0 1 HHAF C[C@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C 299804747 WUXOBBJUEKXKHZ-XSBCOFAFSA-N 404.576 3.624 0 1 HHAF Fc1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587009088 UYTOISOHXHQFBJ-UHFFFAOYSA-N 411.032 3.937 0 1 HHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587069235 GFPVHABBOHBSFI-OAHLLOKOSA-N 408.893 3.561 0 1 HHAF COCCN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587571451 KZGBVDGJIKXTSX-NFBKMPQASA-N 406.438 3.573 0 1 HHAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)C5CCC5)C4)c3c2)cn1 1857771322 MPXRPSIOKKHGCH-SFHVURJKSA-N 403.486 3.513 0 1 HHAF CSc1cccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCCCC2)c1 2356298404 BDGXBRNIWZVPHM-GGPKGHCWSA-N 402.608 3.726 0 1 HHAF CN(CCc1ccccn1)CC[C@@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)O 2356314211 RSDUXCGQSIKBJR-VQTJNVASSA-N 424.545 3.591 0 1 HHAF CC(C)=CCc1ccc(O)c2c1[C@H](c1cc(C)cc3c1O[C@@H](C(C)(C)O)CO3)NC2=O 2356323862 FMZQVUPZAJIUSS-KNQAVFIVSA-N 423.509 3.953 0 1 HHAF C[C@H]1[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]2(C)CCC(=O)[C@@H](C)[C@@]2(C)O[C@H]1O 2356537425 SGAGBYUEVHJQBY-SVJVAMNOSA-N 400.471 3.537 0 1 HHAF COc1ccccc1NC(=O)N(CCN(C)C)Cc1cc2cc(C)ccc2nc1O 8667216 CASVCRVLEKTYEX-UHFFFAOYSA-N 408.502 3.853 0 3 HHAF COc1ccc([C@H]2C(C(=O)O)=C[C@@H](C(C)(C)C)N2S(=O)(=O)c2ccccc2)cc1 61947014 WQMCFFKHMWOMCQ-PMACEKPBSA-N 415.511 3.867 0 3 HHAF CCN(CC)C(=O)N[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@@H]2N(C)C1 608219 SBHNNNRQZGYOAU-PXAZEXFGSA-N 417.351 3.604 0 1 HHAF biogenic COc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 6040339 LIJRDZOTMQRKOU-JOCHJYFZSA-N 409.463 3.948 0 1 HHAF Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 12455209 FPMYYRBOOJSXAS-XZOQPEGZSA-N 424.541 3.689 0 1 HHAF CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C(=N)N)c2)cc1 13557995 GGDHQILYTNGCRJ-UHFFFAOYSA-N 402.454 3.874 0 1 HHAF CCN(CC)C(=O)Cn1c(=O)c(-c2ccc(OC)cc2)cc2c(OC)cc(OC)cc21 26572275 CNUXSSQGSIPTFQ-UHFFFAOYSA-N 424.497 3.563 0 1 HHAF CCCCNC(=S)N[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 28343342 WXSYONCQSTTXCZ-HBWSCVEGSA-N 408.782 3.777 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29413256 SZDSCLOAPYDVBU-FCMBKVMBSA-N 402.579 3.513 0 1 HHAF CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 53255684 BLFPEKXTSDYQOQ-UHFFFAOYSA-N 424.589 3.647 0 1 HHAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCc3ccccn3)C2)co1 82069644 MBZKVMLEISTSEN-SFHVURJKSA-N 419.481 3.683 0 1 HHAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188947 IVOXHBYKMYQMOO-INIZCTEOSA-N 408.550 3.767 0 1 HHAF CCS[C@@]12C[C@@H]3c4cccc5c4[C@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O 102982434 PSORSYJKNJMUHN-OEDAOFSRSA-N 420.534 3.956 0 1 HHAF COc1ccc2c(n1)[C@]1(CO2)C(=O)N(Cc2csc(C(C)C)n2)c2ccccc21 103177807 ZDJYTQQELONEPI-JOCHJYFZSA-N 407.495 3.895 0 1 HHAF Cc1ccc(CN2CCC(CCN3C(=O)c4cc5c(cc4C34CC4)OCO5)CC2)[nH]1 206576277 BZFJXJQBMXPHLE-UHFFFAOYSA-N 407.514 3.799 0 1 HHAF C[C@@H]1Cc2c(nnn2-c2ccccn2)CN1C(=O)c1ccc(F)c(Cl)c1Cl 225979195 XRMJMDHRJHUDSH-SNVBAGLBSA-N 406.248 3.695 0 1 HHAF CC(=O)[C@H]1C[C@]23C(=O)[C@](C)(C[C@@H]2C1(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C)C)C3=O 238780374 YWCYHQDJGKSIEV-WSEBZIHOSA-N 414.542 3.923 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C 299887010 YEBWVORVAAIZRK-YCMXFFACSA-N 404.595 3.926 0 1 HHAF O=C(NCc1nc2ccc(Br)c(O)c2[nH]1)c1cccc(C(F)(F)F)c1 587112400 UTZLVWTUPCHVTI-UHFFFAOYSA-N 414.181 3.980 0 1 HHAF FC(F)(F)Oc1cccc2nc(-c3nccnc3I)[nH]c12 587186408 KZUGBCGEWIGYGN-UHFFFAOYSA-N 406.105 3.523 0 1 HHAF CN[C@@H](c1cccnc1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587225809 XXMQWRHIAFSFTG-SFHVURJKSA-N 405.433 3.936 0 1 HHAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc4ccccc4cc3[nH]2)c1 587230572 ICGMBHWMRNLJOU-UHFFFAOYSA-N 416.481 3.664 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383335 AWBGPUQTMNGFTD-QFIPXVFZSA-N 410.401 3.790 0 1 HHAF COCOc1ccc([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435057 BDVHIWSWMCYZSG-HYBUGGRVSA-N 403.434 3.764 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3CCCS3(=O)=O)c1)CC2=O 587495084 ZSECJGGOJARWJJ-QFIPXVFZSA-N 415.511 3.765 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)c1ccccc12 587614881 VPNBBESPPXWOQG-NFBKMPQASA-N 422.458 3.817 0 1 HHAF COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587715546 CUBGETCNNPPYAI-XYZCENFISA-N 406.242 3.926 0 1 HHAF COC(=O)CCn1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587755996 IZSXERUBMBTENH-GIGQVBGESA-N 424.314 3.588 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O 587831608 ICBURTJPOPZNKO-UDTOPMKXSA-N 408.267 3.996 0 1 HHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OC)c(OCC(N)=O)cc2Cl)N1 962959791 QQWSWBPRCPTMHR-VERVWZFWSA-N 413.905 3.708 0 1 HHAF O=c1c2c(F)cccc2nc([C@@H]2CCCN2c2ncnc3[nH]cnc23)n1C1CCCC1 1857546064 WKDYVBNGHSQMDN-INIZCTEOSA-N 419.464 3.659 0 1 HHAF COc1ccc2c(c1)c(-c1[nH]c(NC(C)=O)nc1C)cn2S(=O)(=O)c1ccccc1 1857561093 XYNYMXQRUAZXOH-UHFFFAOYSA-N 424.482 3.544 0 1 HHAF CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC=C1C(=O)Nc2ccc(Cl)cc21 1857622579 FVPCCVAQCXDXFI-NRFANRHFSA-N 411.933 3.996 0 1 HHAF CCOC(=O)[C@@H]1Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccc(F)cc1 1911574090 UGKXPXPAGYXAJR-IFMALSPDSA-N 407.441 3.800 0 1 HHAF CO[C@]1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)C(=O)O)C(=O)O1 2356322935 DQHIGCCLMVVSPZ-JOCHJYFZSA-N 402.443 3.918 0 1 HHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@@H](O)C[C@H]2[C@H](C)N(C)C)C1 2356474482 TVQRVUWWMQFWHA-JJRQHQSSSA-N 402.623 3.991 0 1 HHAF CC=C1C([C@]2(C)CCCC(C)(C)C2)=C[C@H](O)[C@@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@H]12 2356480009 MHDUGZBUXWJHKW-PMSFMSJRSA-N 406.519 3.881 0 1 HHAF CC(C)c1nc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cs1 11753438 YSVJEBKDVPGPKT-INIZCTEOSA-N 403.523 3.503 0 3 HHAF COc1ccc(CNC(=O)c2sc(=O)n(Cc3ccc(C)cc3)c2C)cc1OC 61903668 ZPFBXRGBBNKOFD-UHFFFAOYSA-N 412.511 3.522 0 3 HHAF CCC(=O)c1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O 3870491 VRAJWAGCJIXJHQ-DGCLKSJQSA-N 422.254 3.959 0 1 HHAF COc1c2c(c(OC)c(O)c1-c1c[nH]c3ccccc13)[C@@]1(O)c3ccccc3N[C@@H]1O2 13462672 BNNQNJBXFAFMOE-RPWUZVMVSA-N 416.433 3.938 0 1 HHAF biogenic O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)cc1 13608796 HQPJIWFXJJJLTM-OWOJBTEDSA-N 420.340 3.807 0 1 HHAF Cc1nc(C)c(CN2CCC[C@H]2c2ccc(C(=O)Nc3ncn(C)n3)s2)s1 23145906 VYBSEOQPLUQHOH-ZDUSSCGKSA-N 402.549 3.539 0 1 HHAF Cc1sc2ncnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2c1C 24511022 UWLRMZVCNCLEFE-UHFFFAOYSA-N 400.529 3.847 0 1 HHAF CCCC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cncc(Cl)c3)cc2c1 27417141 WUFTZEMBGWZVCB-UHFFFAOYSA-N 401.802 3.904 0 1 HHAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(F)c1 29324759 YRTPAGJEAKGFJE-AHJNKEMKSA-N 410.526 3.683 0 1 HHAF O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCO 40394829 SOERTZLAXMJFSA-UHFFFAOYSA-N 406.825 3.696 0 1 HHAF CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O 49051064 OADIQRCNKQAJAJ-UHFFFAOYSA-N 406.461 3.797 0 1 HHAF O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1 64548967 FLGFDKYYVQWFFS-UHFFFAOYSA-N 422.464 3.799 0 1 HHAF O=C(NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1)c1ccccc1 72185865 RWTLMSVCKSEIFJ-JOCHJYFZSA-N 408.452 3.739 0 1 HHAF O=S(=O)(N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1 73162788 QLRFIQBPUCUWNR-LJQANCHMSA-N 409.442 3.944 0 1 HHAF Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12 84653477 OBLJYGNLZAQGGQ-UHFFFAOYSA-N 418.432 3.858 0 1 HHAF COc1ccc2c(c1O)CCCC(CCO)=C2c1cc(OC)c(OC)c(OC)c1 103247666 KMXPQTBYMYXOJM-UHFFFAOYSA-N 400.471 3.947 0 1 HHAF O=C(c1ccc(N(CCCO)Cc2ccccc2)cc1)N1CCc2ccc(O)cc2C1 103300996 GBOXFSNBHSZEEK-UHFFFAOYSA-N 416.521 3.980 0 1 HHAF CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 137828516 PMJIUNUHZLTRMR-OBNJBMLMSA-N 401.507 3.641 0 1 HHAF Cc1nc([C@@](C)(CC2CC2)NC(=O)c2cc(OCC(F)F)c(C3CC3)cn2)no1 146363919 YIATZXPSLJFHJG-HXUWFJFHSA-N 406.433 3.740 0 1 HHAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@@H](C[C@@H](N5CC5)[C@@H]4C(C)=O)[C@@H]3CC[C@@H]2C1 169332129 WRCFYFRXAYMSAE-DZRFFRGESA-N 415.574 3.639 0 1 HHAF O=C1C[C@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 169727233 BOOKXOVMQLQATB-WMZHIEFXSA-N 414.461 3.734 0 1 HHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586918388 XWNYLGKZSAYHOQ-CYFREDJKSA-N 404.514 3.531 0 1 HHAF COC(=O)c1cc(Cl)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 587039893 WZTBWIVALXROGG-UHFFFAOYSA-N 409.855 3.868 0 1 HHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587044902 WAXSWNGGABLKJH-UHFFFAOYSA-N 403.243 3.801 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1OCC(=O)O)O2 587378966 XWNIPTOTLHLUNO-LJQANCHMSA-N 420.259 3.684 0 1 HHAF COCOc1cccc([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587435880 JSPAXFKUNOLCST-HYBUGGRVSA-N 403.434 3.764 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(N)c2C(=O)c2cccc(N)c21 587472971 PFTSFGACBZWNQN-RUZDIDTESA-N 414.461 3.963 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc3nc(O)[nH]c3c1)CC2=O 587481864 IJTLTHRZFLHPGM-QFIPXVFZSA-N 409.442 3.679 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(O)c(C(=O)OCC)cc31)CC2=O 587492118 WWYMFEJNBZECHD-QHCPKHFHSA-N 411.454 3.819 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 587969944 WDASKXBSFJKXIB-FBFMVGLQSA-N 403.276 3.759 0 1 HHAF Cc1ccc(-c2noc([C@H]3C[C@@](C)(O)C3)n2)cc1NC(=O)c1cnc2ccccn12 1772612770 VBSCTWFMHAWPSW-FVUUGDKNSA-N 403.442 3.573 0 1 HHAF C[S@@](=O)c1ccc(Nc2ccc3ncc(-c4ccc([S@@](C)=O)cc4)n3n2)cc1 1857544925 DIJKZNBNQKPKPU-VSGBNLITSA-N 410.524 3.615 0 1 HHAF N=c1c(C(N)=O)c[nH]c2c(-c3cc(OCc4ccccc4)c4c[nH]nc4c3)cccc12 1857559875 FAUNADGXUNSQJJ-UHFFFAOYSA-N 409.449 3.869 0 1 HHAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccc(OC)cc3[nH]2)C1 2356621440 BIGKPZGVEQNRRK-CVEARBPZSA-N 401.507 3.634 0 1 HHAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NCc3cccnc3)C2)c(C)o1 4057396 RUVUPPLRFZQTKR-FQEVSTJZSA-N 404.514 3.882 0 3 HHAF Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 12430516 CVZDXWMAYAYVEC-MRXNPFEDSA-N 401.457 3.617 0 3 HHAF O=C1c2ccccc2[C@H](c2nnnn2C2CCCCC2)N1CCc1ccc(O)cc1 95568016 BTFZLMMQCFFSFA-OAQYLSRUSA-N 403.486 3.672 0 3 HHAF COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC[C@H]2CCO)cc1 714104 YMEULLMVARGCEF-KRWDZBQOSA-N 416.905 3.978 0 1 HHAF Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 2247504 LDWAOCOZTZLLCR-ROUUACIJSA-N 406.419 3.947 0 1 HHAF O=C(NC[C@@H]1CCCO1)c1onc(CSc2cccc3ccccc23)c1C(=O)O 8691351 LWIHVUAXGGRGQG-AWEZNQCLSA-N 412.467 3.727 0 3 HHAF CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 100423307 NXSFKUCSWRJBEE-SZPZYZBQSA-N 418.969 3.872 0 1 HHAF O=C(O)C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1 26745875 PEXIVRSEMGWJFU-ZIAGYGMSSA-N 419.301 3.722 0 1 HHAF COc1ccc([C@H](OC(C)=O)[C@@H]2CO[C@@H](c3ccc(O)cc3)[C@H]2COC(C)=O)cc1 2356553813 DYHAQSFWZZAXHU-BJESRGMDSA-N 414.454 3.572 0 1 HHAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@@]2(C)[C@H]1CC=C1C(=O)O[C@H](O)[C@@H]12 2356622239 BUXFGRWORDRRTK-KVIXNOQCSA-N 412.482 3.581 0 1 HHAF COc1cc(-c2cnc3c(NC=O)cc(-c4cccnc4)cn23)cc(OC)c1OC 61906023 GUKSGYVLBLADRQ-UHFFFAOYSA-N 404.426 3.657 0 3 HHAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)O[C@@H]3CCOC3)cc21 29477348 WEFKJAOLXZICLW-GOSISDBHSA-N 410.426 3.734 0 1 HHAF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 35033981 AOCHJFKNOHWWDN-HSZRJFAPSA-N 400.494 3.659 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N2CCCCC2)C(C)C)cs1 82070235 YVYLLAPGOIUGEN-LJQANCHMSA-N 415.559 3.976 0 1 HHAF COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4C[C@H](C)O[C@H](C)C4)ncn3)c2c1 225561897 RPXGJWGBVWNVQI-GASCZTMLSA-N 416.485 3.704 0 1 HHAF Cn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1 45291595 URTMGLWEEROVNL-UHFFFAOYSA-N 423.436 3.605 0 1 HHAF Cn1cc(-c2cccc(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)cn1 84704146 DNLKPQWMEAUUEV-QFIPXVFZSA-N 417.538 3.883 0 1 HHAF COC(=O)[C@](C)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1 40863098 ATLBWTISZKGUSO-ASSNKEHSSA-N 417.914 3.942 0 1 HHAF C[C@@H]1Cc2c(nnn2-c2ccn[nH]2)[C@@H](C)N1C(=O)c1cccc(C(F)(F)F)c1Cl 225986851 IQRKGPSJDGZJEV-NXEZZACHSA-N 424.814 3.811 0 1 HHAF O=C1C[C@@H](c2ccccc2Cl)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1 96938048 XDQLFEYSMHALHZ-SFHVURJKSA-N 418.324 3.616 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCCc4nc5ccccc5[nH]4)ncc23)ccn1 261169810 SRVNOLUQKPZUBH-UHFFFAOYSA-N 412.457 3.569 0 1 HHAF COc1cc2c3c(c1)O[C@@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587432449 LXHUEAMICVKNSC-GJKYVBSNSA-N 417.502 3.521 0 1 HHAF Cc1cccc(NC(=O)Cc2nc3cccc(I)c3[nH]2)c1C 587239221 MGOWHSNGZGRZHM-UHFFFAOYSA-N 405.239 3.966 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C 587827025 MSBHYFBZMWDAAR-YPQORACKSA-N 424.310 3.798 0 1 HHAF C[C@@]1(c2cccc(OCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597480 UUMXJJGJTNGOCS-OFNKIYASSA-N 406.390 3.733 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 587951216 GBPKMHNTJMVAJQ-KLAILNCOSA-N 423.579 3.719 0 1 HHAF CC[C@@H](c1nc2ccc(Cl)nc2[nH]1)n1cc(I)c(C)n1 587185039 IBJYQRXGIRTATM-JTQLQIEISA-N 401.639 3.720 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]cc(I)c3c1)O2 587387273 POBDTDRHIKUEDY-OAHLLOKOSA-N 419.222 3.765 0 1 HHAF O=C1C[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587517057 GKKHOTRLSFXJBX-DEOSSOPVSA-N 402.450 3.782 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](C(=O)c2ccc(C(F)(F)F)cc2)N1 963218078 BRVBVUUUDTZJGD-ZWKOTPCHSA-N 400.356 3.777 0 1 HHAF CCC[C@@H](N1CCCC1)[C@]1(c2ccc3c(c2)OCO3)NCCc2c1c(C(C)C)nn2C 962922937 SHBDOYQRJZRNNE-RDGATRHJSA-N 424.589 3.926 0 1 HHAF O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c(O)nnn1CC1CC1 1772646071 KELMXBIKSCEPDD-UHFFFAOYSA-N 406.339 3.869 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@@H]1CCCCN1Cc1ccccc1)C2 1772620022 WOXSRYRINRYFSJ-FPOVZHCZSA-N 423.509 3.657 0 1 HHAF CNc1ccc(S(=O)(=O)NC)cc1Nc1cc(Nc2ccc(Cl)cc2)ncn1 1772588560 DGBWWPQCIACZAA-UHFFFAOYSA-N 418.910 3.567 0 1 HHAF O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)/C=C\c2ccccc2)CCCN1 14652482 OROFOUPCOTVAJQ-HVMBHNBBSA-N 405.542 3.550 0 1 HHAF biogenic,in-vitro CNS(=O)(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167766629 XXQLWFUJEWAWHG-UHFFFAOYSA-N 413.480 3.799 0 1 HHAF Cc1cccc(N2C(=S)N[C@@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@@H]3C(=O)N(C)C)c1 13497248 LJUAQGRPCBYPRT-UEXGIBASSA-N 415.946 3.897 0 1 HHAF COC(=O)c1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)oc(C)cc2=O)cc1 13581207 ZPYYXJDXENXGSA-UHFFFAOYSA-N 414.435 3.598 0 1 HHAF CC[C@H](C)N1CC(=O)N2[C@@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15956360 OILMJPHJXOZRIU-VNJOCVIMSA-N 417.509 3.660 0 1 HHAF biogenic O=c1c2ccccc2n(Cc2nc3ccccc3n2CCCCF)c(=O)n1C1CC1 28824466 MKMQLIPBEXLFHM-UHFFFAOYSA-N 406.461 3.646 0 1 HHAF O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1Br)c1ccncc1 29394668 QXXXRWQFWBIYSO-UHFFFAOYSA-N 420.266 3.969 0 1 HHAF O=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)c1ccc[nH]1 49124613 URBDMKKVFOMBMB-INIZCTEOSA-N 412.486 3.837 0 1 HHAF CN(C)CCCN(C)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O 95576641 LYIDSHVPXPOVBM-UHFFFAOYSA-N 413.525 3.787 0 1 HHAF O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 95893773 BJFBOLLGEYDWCY-ZLNRFVROSA-N 422.500 3.722 0 1 HHAF Nc1ccc2c(c1)C(=O)[C@@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 103231772 QKQVYZVGWKRGIE-MRXNPFEDSA-N 410.489 3.844 0 1 HHAF CC1(C)CCN(C[C@@](C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 148307750 SZIIFKASEOJJLY-OAQYLSRUSA-N 422.497 3.638 0 1 HHAF N=C(N)Nc1ccc(-c2cc(C(=O)Nc3ccccc3Br)no2)cc1 169330340 XBUZGJINSLIYMV-UHFFFAOYSA-N 400.236 3.662 0 1 HHAF C[C@H]1c2nnn(-c3cncnc3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225972166 ZVOHWWVFRYXDBT-JTQLQIEISA-N 420.782 3.917 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c1 586903664 NBAHJZUURIPVRT-INIZCTEOSA-N 403.504 3.532 0 1 HHAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(F)cc(F)c4[nH]3)cccc12 586942716 ZWOKHNLTDKMZHV-UHFFFAOYSA-N 416.453 3.539 0 1 HHAF N[C@H](Cc1cscn1)c1nc2cc(Br)c(Br)cc2[nH]1 587028228 MMWBGNPFISIQJQ-SECBINFHSA-N 402.115 3.787 0 1 HHAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cnccc4[nH]3)ccc2s1 587034364 TUPJZXSGCTXUDF-UHFFFAOYSA-N 410.455 3.505 0 1 HHAF FC(F)(F)c1nn(Cc2nc3cc(Br)ncc3[nH]2)c2c1CCCC2 587120273 VMESBSVSIWRMFZ-UHFFFAOYSA-N 400.202 3.863 0 1 HHAF O=S(=O)(Nc1cc(-c2nc3ncc[nH]c-3n2)ccc1Cl)c1ccc(F)cc1 587170461 DHJSFCDIHIIQBC-UHFFFAOYSA-N 403.826 3.565 0 1 HHAF COC(=O)CC[C@H](N)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587258549 NBOAYQSWFHUKEQ-AWEZNQCLSA-N 418.291 3.857 0 1 HHAF CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(Br)cc21 587374841 ZMRDAKLKHHAPPL-LJQANCHMSA-N 401.260 3.567 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600111 LHUJWRVGPBDZGA-GBXCKJPGSA-N 420.417 3.821 0 1 HHAF CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587774729 XFHIAXJZXMYSQQ-JEOXALJRSA-N 407.283 3.958 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3c(O)nc4cccc2c43)N1 587778643 NUMXOJDSPPMGOZ-GIGQVBGESA-N 402.267 3.825 0 1 HHAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O 587792906 LUPYRBYQVVYBMQ-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@]12C=CO[C@@H]1COC(C)(C)O[C@]12C 962396890 HAYCFKXYARQQSS-CEMLEFRQSA-N 400.544 3.794 0 1 HHAF CC[C@H](C(=O)O)n1cc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962923520 REMHLDXOEYQVOK-IXFSTUDKSA-N 410.445 3.679 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1n[nH]c2cccc(Br)c12 963635664 NKEHILZJLLOOGP-MLCYQJTMSA-N 402.292 3.966 0 1 HHAF O=C(c1ccco1)N1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1 1772603287 DGSJCQBCZUXHPR-UHFFFAOYSA-N 424.570 3.954 0 1 HHAF Cn1cc(-c2ccc3nc(NC(=O)c4ccccn4)cn3n2)c(-c2ccc(F)cc2)n1 1772623501 CLFZEFYFSONTSB-UHFFFAOYSA-N 413.416 3.583 0 1 HHAF Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1 1772654611 ANDKBRLNIKATCM-UHFFFAOYSA-N 416.098 3.984 0 1 HHAF Cn1nc(C2CCCCC2)cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2c[nH]nc2C1 1857575824 YLAOUBJPYKUSBB-UHFFFAOYSA-N 422.489 3.502 0 1 HHAF CO[C@@H]1CCCC[C@H]1n1nc(Oc2cc(C(F)(F)F)ccn2)c2c(N)ncnc21 1911576206 BIFFFOUNWHBZKP-VXGBXAGGSA-N 408.384 3.745 0 1 HHAF COCCNC(=O)[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 61903975 TXBHAUXHOIQPLX-KRWDZBQOSA-N 406.954 3.543 0 3 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4076308 CLRATSVFOFTHTP-VWPQPMDRSA-N 424.884 3.745 0 1 HHAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 4545982 GLFTVHAVDQJJPP-JBACZVJFSA-N 412.530 3.817 0 1 HHAF CC1CCN(C(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)ccc2Cl)CC1 4660016 YALYJFYUBQCJSZ-SLDRDFCHSA-N 400.906 3.748 0 1 HHAF Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCN(C)Cc4ccccc4)sc3c2c1 4950902 UYHGUHFPUAEJIM-UHFFFAOYSA-N 405.523 3.913 0 1 HHAF C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 26157099 OGJFKUQJOKISDC-XMSQKQJNSA-N 409.555 3.509 0 1 HHAF COc1ccc(S(=O)(=O)N(Cc2ccccn2)[C@@H]2CCc3ccccc32)cc1OC 26580142 RAYMWFMDNOTBKU-OAQYLSRUSA-N 424.522 3.977 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(CCN1CCN(c3ccc(F)cc3)CC1)OCC2 27882943 HYXFQEDCPQJFGW-DEOSSOPVSA-N 414.521 3.843 0 1 HHAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CC(F)(F)C4)ccc32)cc1 28818073 AUMQJULFKZREJZ-JOCHJYFZSA-N 402.485 3.992 0 1 HHAF CN1C(=O)[C@](c2ccc(OC(F)(F)F)cc2)(C23CC4CC(CC(C4)C2)C3)N=C1N 45317151 KKUVYLRKCGXDSS-MPBWNAIBSA-N 407.436 3.784 0 1 HHAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C1 82217028 VSZJJSAJGXHGMX-DLBZAZTESA-N 412.509 3.770 0 1 HHAF COc1ccc(Oc2ccc(NC(=O)NC(=O)c3c(F)cccc3F)nn2)cc1 103201256 XHJFBMMPPVTPBH-UHFFFAOYSA-N 400.341 3.518 0 1 HHAF CC[C@H](Sc1nc2nncc-2c(O)n1-c1ccccc1Cl)C(=O)N1CCCC1 103893267 XZKNUSPXIOAJEY-HNNXBMFYSA-N 417.922 3.619 0 1 HHAF CN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCN(C(=O)CC3CCCC3)C2)N=C1N 137577103 ZROUWOKUKKGJPH-GBXCKJPGSA-N 416.610 3.691 0 1 HHAF COc1ccccc1-c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142075453 YKTYXHGGNOVFFG-UKRRQHHQSA-N 424.461 3.690 0 1 HHAF Cn1cc(-c2cc(OCCC(=O)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144855979 FKMBFPTTYCNWOS-HXUWFJFHSA-N 418.371 3.719 0 1 HHAF CN1CCC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)CC1 299837689 PDQFDXIOUDDUDD-UHFFFAOYSA-N 403.592 3.903 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)cc1 586941429 STMQHWTXKBFUDJ-KTKRTIGZSA-N 406.305 3.724 0 1 HHAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc21 587333746 LGSAZCPBDTYFBO-NZQKXSOJSA-N 407.372 3.901 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCO)O2 587377499 NAAXSLGIAPKSJU-GOSISDBHSA-N 406.276 3.807 0 1 HHAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O 587421276 LLZQPYAVJIZDFE-GAJHUEQPSA-N 422.868 3.661 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(I)ccc1OC)[C@@H](C2)C3=O 587427005 FYOQRWMSWASSFE-UGSOOPFHSA-N 422.218 3.797 0 1 HHAF COC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587591588 DBFLRHMGEGSWGG-NFBKMPQASA-N 406.390 3.647 0 1 HHAF O=C1COc2ccc(-c3[nH]c4c(C(=O)O)cccc4c3C(=O)C(F)(F)F)cc2N1 587637637 DUGQVMQDQGEPGW-UHFFFAOYSA-N 404.300 3.609 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2N)N1 587678358 CLCDOXAPSXGENP-MLXNANBUSA-N 415.104 3.952 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587696424 KHQHDDWNFCPHRC-NIVTXAMTSA-N 409.686 3.996 0 1 HHAF C[C@H](Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)NC(=O)OC(C)(C)C 587923747 JVCUJEZBZJCUHB-GFCCVEGCSA-N 411.549 3.637 0 1 HHAF C[C@@H](C[C@]1(c2cccc(CO)c2)c2ccsc2CCN1Cc1cccn1C)C(=O)O 962401139 VNCCHKFWCMGTMW-XDHUDOTRSA-N 424.566 3.992 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccccc1)(c1nc3ccccc3n1C)NCC2 962931706 OVYHSDJWPJVWRB-AREMUKBSSA-N 410.521 3.713 0 1 HHAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963106147 JTLWHHOKSLZJQE-NMVJMZGASA-N 408.517 3.737 0 1 HHAF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2-n2c1nc1ccccc1c2=O 963256765 DTXFRVUPRIKIGC-DEOSSOPVSA-N 415.880 3.799 0 1 HHAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1cccnc1 1772597836 BWDCZCZCLMZHCR-UHFFFAOYSA-N 420.557 3.995 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3ccncc3)c2cn1)c1ccc(F)cc1 1772634090 YHWIYGZBDZTHGD-CYBMUJFWSA-N 406.421 3.954 0 1 HHAF CCCSc1cc(C(=O)O)c(O)c(I)c1-n1cccc1 1857746360 IUCGBTPKFYQLQH-UHFFFAOYSA-N 403.241 3.988 0 1 HHAF CC(=CCO)CC[C@]1(C)[C@H](COC(=O)CCC(=O)O)[C@H](O)C[C@]2(C)C(C)=CCC[C@@H]21 2356522493 JDKUSIUPEUOZEW-YSLZZLMDSA-N 422.562 3.863 0 1 HHAF CC(C)CNC(=O)[C@@H](C)OC1=CC2=C3C=CNc4c3n(c(=O)c3ccccc43)[C]2C=C1 2356871713 QZONNHUYWUBZAY-OAHLLOKOSA-N 414.485 3.719 0 1 HHAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 2489335 OMBIAISDMYBHLH-FPOVZHCZSA-N 416.562 3.748 0 1 HHAF Cc1ccc(CNC(=O)CCn2c3c(c4ccccc42)C(=O)CN2CCCC[C@H]32)o1 29217821 KKKAYRHTXHXHNK-HXUWFJFHSA-N 405.498 3.973 0 1 HHAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccc(OC)cc1 29476399 INXPEFDXUAPBRR-FQEVSTJZSA-N 417.546 3.948 0 1 HHAF COc1ccccc1CCNc1nc(C)cc(NCCC(=O)Nc2ccccc2)n1 45168734 RPBQOSUSKMBFAD-UHFFFAOYSA-N 405.502 3.889 0 1 HHAF COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 64361402 DJZLXXVDCSALDG-VQIMIIECSA-N 423.513 3.555 0 1 HHAF COc1ccccc1CCNc1cncc(Oc2cccc(N3CCOCC3)c2)n1 82068490 FLIPIVKORWEJNG-UHFFFAOYSA-N 406.486 3.769 0 1 HHAF OC[C@H](CN1Cc2ccc(F)cc2C1)N1CCC(c2noc3cc(F)ccc23)CC1 87722215 YCHBCAZCQRJJQZ-FQEVSTJZSA-N 413.468 3.662 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 88261019 SLCSSVAVCXUAJF-ZEQRLZLVSA-N 412.599 3.863 0 1 HHAF C[C@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(N)=O 101507837 ILYAOAUUXVJZJV-TUVASFSCSA-N 404.511 3.571 0 1 HHAF O=C(NC1CCCCCC1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O 102975955 QPIOBBFTXWHMNM-UHFFFAOYSA-N 409.461 3.742 0 1 HHAF CCC[C@@H]1c2[cH-]cnc2C=C[C@@H]1C(=O)[C@@H](CCO)C(=O)CCc1ccc(O)c(OC)c1 103531674 GDQJHLOKDSDXEX-HOJAQTOUSA-N 424.517 3.811 0 1 HHAF biogenic,in-vitro NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1 114756971 LCCUVYBNWKCWDG-UHFFFAOYSA-N 410.437 3.781 0 1 HHAF Cc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)c(C)c1 116676442 BDRLOPWETJBWML-UHFFFAOYSA-N 421.501 3.900 0 1 HHAF Cc1cc(-c2c(F)cc3c4nn(CC(=O)O)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 169372119 MUVLRUWDSNDSAF-UHFFFAOYSA-N 424.407 3.679 0 1 HHAF Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@H]2c2ccc3c(c2)OCO3)cc1 299834620 BQQUXECVVCRHDK-AWEZNQCLSA-N 412.389 3.778 0 1 HHAF COC(=O)C[C@H]1Nc2ccccc2-c2ccc3c(c21)C1(OCC(C)(C)CO1)C(=O)N3C 299868254 ZLELSBIGIIUDFH-QGZVFWFLSA-N 422.481 3.586 0 1 HHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586918390 XWNYLGKZSAYHOQ-NTKDMRAZSA-N 404.514 3.531 0 1 HHAF O=C(NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cscn1 587028580 SGZJCQNRQXAWFN-UHFFFAOYSA-N 405.199 3.731 0 1 HHAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(N)ncc4[nH]3)nc2n1 587114503 CRGGQNAVNHYQLE-UHFFFAOYSA-N 407.425 4.006 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587126108 VHBOIYWUQXFTAE-OTYXRUKQSA-N 413.425 3.528 0 1 HHAF O=C1C[C@H](c2nc3ccc(Br)c(O)c3[nH]2)CN1Cc1ccc(F)cc1F 587149684 PRRWPIJEJLJGGO-JTQLQIEISA-N 422.229 3.825 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587202501 IXOZOAGYLWJNQL-GFCCVEGCSA-N 409.229 3.707 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)O2 587397284 ZHDZORCSGNXFSY-UQNRQAKVSA-N 416.518 3.717 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O 587477298 QICSSCIUBABZAB-QRQCRPRQSA-N 419.474 3.533 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CS(C)(=O)=O)c1)CC2=O 587488404 QOSCYJPSPYJZQT-QFIPXVFZSA-N 418.511 3.779 0 1 HHAF CCOc1nc(N2CCOCC2)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536620 XXGGAVHJXJICES-SFHVURJKSA-N 414.527 3.964 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595360 NGWAUABJWUZTAO-OFNKIYASSA-N 422.389 3.567 0 1 HHAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC 587623107 KYYLGDBLSXZQHK-FMIVXFBMSA-N 405.296 3.835 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)cc2Br)N1 587681675 KFUHSTVNUGBHPZ-UHLUBPPHSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)o2)N1 587771657 WJZKTXGDMKMRHC-NSPYISDASA-N 409.299 3.766 0 1 HHAF CCOC(=O)CC[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587792705 CELDKPIHAFTBFP-ZMZPIMSZSA-N 416.287 3.526 0 1 HHAF COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587795093 QLFNXNSGOXPYEX-WLRWDXFRSA-N 408.267 3.764 0 1 HHAF COc1ccc2c(c1)[C@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)N[C@H]1CC[C@H]21 962995412 NIKRZRBRUVSUEG-KFCXZAFISA-N 421.453 3.633 0 1 HHAF COc1cc([C@@H]2NCCc3c(C(=O)O)cccc32)ccc1OC(=O)c1ccccc1F 963126587 WBFFDAYNAZTCFY-QFIPXVFZSA-N 421.424 3.987 0 1 HHAF COc1ccc(Br)cc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229412 KVASDJJCSOBCKY-IEBWSBKVSA-N 413.271 3.694 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c[nH]cc(I)c1=N 963230732 ADFMDTJHIVVEBH-KZULUSFZSA-N 407.299 3.845 0 1 HHAF CC(C)Cc1n[nH]c2nc(N[C@H]3CC[C@H](NC(=O)Cc4ccccc4)CC3)ncc12 1857589805 WHFONCBLMCQFDC-IYARVYRRSA-N 406.534 3.633 0 1 HHAF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)O 1911576688 AEHSITRTPNLEID-SFHVURJKSA-N 411.458 3.662 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1OC[C@@H](C2)[C@@H]1C 2356387466 UMKWQFKMJHNWEV-XAEJFWIOSA-N 414.454 3.996 0 1 HHAF CCN(CC)C(=O)C[C@@H](c1ccc(N(C)C)cc1)c1c(O)cc(OC)cc1OC 13661286 NDGGXDTVNFALMI-IBGZPJMESA-N 400.519 3.866 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 72135807 PTWYSOSBUMTNCE-IBGZPJMESA-N 405.903 3.884 0 3 HHAF COc1cc(OC)c([C@@H]2C[C@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC 2914306 JFVYYFJOFRZNJW-CVEARBPZSA-N 400.866 3.756 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152925 QVXCJJIRAHDKQA-XZYOPWHXSA-N 408.498 3.597 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CC[C@@H](O)[C@@](C)(O)CO 2356318623 HJHZTWIWIGULGO-VWNXMTODSA-N 416.514 3.729 0 1 HHAF CCCCNc1ncc(C(=O)Nc2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 103239213 AXMGRXURKXGCPI-WOVMCDHWSA-N 413.522 3.665 0 1 HHAF CCOC(=O)c1ccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 101556713 HKASKRDXOJLTOA-CALCHBBNSA-N 408.506 3.640 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC(C)=O)c(OC)c4)OC[C@@H]23)cc1OC 2356337859 FGPFMACOBGPDPV-YHFSLCLQSA-N 414.454 3.713 0 1 HHAF COCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 110615389 ZFWXAHWYXPVAKP-SFTDATJTSA-N 419.433 3.670 0 1 HHAF C(=C/c1ccccc1)\CN1CCN([C@@H](c2nnnn2Cc2ccccc2)C2CC2)CC1 72136924 DROGBARIRNAJMD-KGUVVTLUSA-N 414.557 3.504 0 3 HHAF C[C@H](O)CCCC=CCCC(=O)C[C@@H](O)CC=CC=C[C@H](O)CC=CC=CC(=O)O 2356445226 YXATYAXRBGTMSM-FUDKSRODSA-N 420.546 3.645 0 1 HHAF CCOCC[C@@]1(Oc2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)NC(=O)N=C1O 28975555 ZTBBWIUGXAACLX-UHFFFAOYSA-N 418.833 3.883 0 1 HHAF CC=C1C[C@@H]2[C@H](OC)Cc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356519652 LIJUHCYJZPDEAU-NKFUEYJGSA-N 413.514 3.585 0 1 HHAF CC(=O)O[C@@H]1C[C@H]2[C@@H](CN(C)C)C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@H]1C(C)=O 2356688227 SDLMMRKLTDNPHW-USWKJHDZSA-N 419.562 3.699 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820799 NCQLOJDAPOEYJA-RFOIBLAWSA-N 404.547 3.865 0 1 HHAF CNCCc1c(Br)cc(Br)c(OC)c1Br 13407391 PVBUUBRHBMVTOK-UHFFFAOYSA-N 401.924 3.745 0 1 HHAF biogenic O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC2CCC(F)(F)CC2)cc1F 216261730 OXEOITBERCBZNN-UHFFFAOYSA-N 417.449 3.882 0 1 HHAF COc1ccc(OS(=O)(=O)O)c2cc3c(cc12)C(=O)c1occ2c1[C@]3(C)CCC2 14885597 MIFKDWJRDXUQNW-OAQYLSRUSA-N 414.435 3.810 0 1 HHAF biogenic C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(O)ccc(OS(=O)(=O)O)c3cc12 14885595 QKHYRHPZLGLSHG-FQEVSTJZSA-N 400.408 3.507 0 1 HHAF biogenic COc1ccc(Oc2nc(NCCCCCO)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 82066794 MDNJUMUSCHPZNE-CALCHBBNSA-N 415.538 3.729 0 1 HHAF O=C1Cc2c(cccc2N2CCN(C[C@H]3CCc4[nH]c5ccc(F)cc5c4C3)CC2)N1 45288042 DSVMXCDLDIBCHM-INIZCTEOSA-N 418.516 3.729 0 1 HHAF Cc1ccccc1-c1nc(N2CCC[C@H](C(N)=O)C2)ncc1-c1nc(C)c(C)s1 82177446 WUCRRKMGTLFHKY-INIZCTEOSA-N 407.543 3.894 0 1 HHAF COC(=O)c1ccc2c3c(c(C[C@@H](C)OCc4ccccc4)cc2c1)C(=O)NC3=O 45303325 SYAZUNLGRIQTCH-CQSZACIVSA-N 403.434 3.658 0 1 HHAF CCCCNCCOc1cc(O)c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 40423161 QCHXBJUPMFEDAK-UHFFFAOYSA-N 411.454 3.705 0 1 HHAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CC1 95794333 MMVJOWJTRVCHLX-VWNXMTODSA-N 408.517 3.654 0 1 HHAF O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25429914 BIKWJGKBFNMWTP-UTKZUKDTSA-N 422.488 3.718 0 1 HHAF biogenic CCCNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96939129 IUYSNQXMHWEVJW-QGZVFWFLSA-N 406.529 3.900 0 1 HHAF Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1 141293368 WUOUFZKVGVKOMH-UHFFFAOYSA-N 410.449 3.705 0 1 HHAF COc1ccnc(Nc2cc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1 299868958 SUZLQCNSEYYNFG-SFHVURJKSA-N 403.486 3.952 0 1 HHAF COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(O)cc2)cc(OC)c1OC 653716287 QOIWSKWZPFLOGJ-GGAORHGYSA-N 421.449 3.954 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587849419 LJKCCPZVNHGXGG-BBATYDOGSA-N 412.324 3.789 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 587178675 HZMJJRMNOQRKKO-UHFFFAOYSA-N 418.597 3.613 0 1 HHAF CCn1ncc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587584263 ZEMVDRWWJKWDHE-QZTYOQMJSA-N 419.481 3.849 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587736998 VHPSDRKFPSXRIE-MGNBDDOMSA-N 405.246 3.672 0 1 HHAF COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2n1 587239930 OXQPSQCZDOUSMV-QURLWZIUSA-N 402.495 3.522 0 1 HHAF CC(C)OC(=O)C1(c2nc3cccc(I)c3[nH]2)CC(F)(F)C1 587131490 KLTMXDXFBDFBRL-UHFFFAOYSA-N 420.197 3.786 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2c(C(=O)O)cccc2[nH]1 587181045 LXWGHCCUTBJZAJ-QMMMGPOBSA-N 410.215 3.700 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759753 VHRZLFZOVRCHDL-IYBXPEPISA-N 421.358 3.966 0 1 HHAF O=C(O)c1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 586999539 GGECRSKSQMZLAI-UHFFFAOYSA-N 401.172 3.503 0 1 HHAF COC[C@@]1(CCCCC2OCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832736 KRMAZNVBXHLZCO-ORAYPTAESA-N 416.331 3.897 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)O2 587391253 QSVXWQNQAYKLBO-XXXZYALBSA-N 402.450 3.923 0 1 HHAF C[C@]1(c2ccc(Br)cc2N)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962714079 QDAHWTYSRPJGCE-WBVHZDCISA-N 413.237 3.941 0 1 HHAF COc1cncc(OC)c1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955913 NDRXZRSQXUBFHR-IBGZPJMESA-N 408.420 3.858 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 963178760 DXDAKRQQEJIEHS-CFKKTJQMSA-N 409.835 3.931 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CCC[C@@H](O)C2)cc1F 1772640919 IGVXQZZYKDNDIF-WDEREUQCSA-N 419.931 3.699 0 1 HHAF COC(=O)[C@H]1CC(c2cc(Br)ccc2OCc2ccc(OC)cc2)=NO1 13536315 WDYUQOUGGLQNRI-GOSISDBHSA-N 420.259 3.703 0 1 HHAF O=C(Cc1c[nH]c2ccccc12)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13601747 YWEKANQISOCZCJ-XMMPIXPASA-N 408.461 3.642 0 1 HHAF COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1 13756909 MEEMKNVOHUJFSV-HNNXBMFYSA-N 419.953 3.834 0 1 HHAF Oc1ccc(CN2CC[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc53)[C@@H]4C2)cc1 150126643 PGCQKOATLUJHHU-NXCFDTQHSA-N 404.554 3.898 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)OC3)nn2-c2ccccc2)c1 169707261 YDPSKQJOPMTWMH-GOSISDBHSA-N 404.470 3.786 0 1 HHAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3cccnc3)cn1)C2 1857549844 KSEFINYTLYHJHP-QHCPKHFHSA-N 400.526 3.835 0 1 HHAF COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2n1COC(=O)OC(C)C 1857760963 PAGIIJVSGJTPQL-UHFFFAOYSA-N 411.414 3.965 0 1 HHAF COc1ccc(S[C@@H]2CC(=O)O[C@@H](C)CCCC=C[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 253848758 BGCBFSVLAFDGMW-WHZKATNDSA-N 420.571 3.966 0 1 HHAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCOCC3)c2c1 587580 NBNCEZNBWYPDFB-UHFFFAOYSA-N 405.285 3.768 0 1 HHAF CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(C(C)(C)C)o3)C[C@@H]2C(C)C)CC1 2356319240 POWPUNQHKXLEHK-PCCBWWKXSA-N 416.610 3.928 0 1 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 4075597 SYWZTUBLCPQTJW-ISKFKSNPSA-N 414.509 3.743 0 1 HHAF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100382395 WIYUZYBFCWCCQJ-XTKIHQQCSA-N 414.505 3.573 0 1 HHAF in-vivo CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@H]1c1ccc(C(F)(F)F)cc1 66262130 JASZFHGWCOIQKG-SFHVURJKSA-N 410.417 3.807 0 1 HHAF C[C@@H]1CC[C@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@]1(C)CC[C@@H]1CO[C@H](O)C1 2356697186 MDPCJYDWRZUJJR-QMJOVWBJSA-N 408.535 3.918 0 1 HHAF CNC(=O)c1ccc(C)c(-c2cc3cnnc(-c4ccc(F)cc4F)c3n(C)c2=O)c1 64437269 UCMHWBVZAGDCDI-UHFFFAOYSA-N 420.419 3.609 0 1 HHAF O=C(Nc1ccc(S(=O)(=O)O)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 66156631 YIPZYDFQDUYJAT-UHFFFAOYSA-N 422.506 3.744 0 1 HHAF CNC(=O)c1cc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3)cc2cn1 71317701 CHURZEVSSHLAGS-UHFFFAOYSA-N 416.403 3.977 0 1 HHAF CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCNC(C)=O 82186773 CHTRGFUSGKVAIS-QGZVFWFLSA-N 408.550 3.911 0 1 HHAF CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4cc(F)ccc43)ncc21 223427653 SOLRITZESDYLKR-UHFFFAOYSA-N 405.408 3.914 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1cccc(N)c1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587427574 DWGAGZQQDQMEHU-DFBJGRDBSA-N 417.461 3.986 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CC(=O)OC(C)C)c1C)CC2=O 587476885 RVVDOKXGDPXNTO-LJQANCHMSA-N 400.475 3.816 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587485722 QOIWOEPTXLEEMS-XMMPIXPASA-N 423.465 3.955 0 1 HHAF Cc1csc([C@@](O)(Cc2nc3cc(Br)c(C)nc3[nH]2)C(F)(F)F)n1 587094863 VACKJZJJMYVCHC-ZDUSSCGKSA-N 421.242 3.786 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O 587792909 LVMUWOBIACKSAG-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N(C)C 587573629 TWJYGUZIDVBNDF-OFNKIYASSA-N 419.433 3.948 0 1 HHAF O=C1C[C@@H](c2nc3ccc(Br)nc3[nH]2)CN1Cc1ccc(F)cc1F 587147902 CQRBQHVWMMKXKW-SNVBAGLBSA-N 407.218 3.515 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 587409260 LASJLZWRVFWETH-JOCHJYFZSA-N 414.527 3.632 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805557 HKVFQUCVSGKGIS-YUNKPMOVSA-N 420.278 3.764 0 1 HHAF COC(=O)COc1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377989 RASODBGJASLBPE-KRWDZBQOSA-N 420.259 3.598 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 587794183 OQJABSHPFACSSK-WYRIXSBYSA-N 408.267 3.849 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757130 NBCRGANIZBSSSR-HSEPHZNSSA-N 421.358 3.792 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3c(Br)ccnc3[nH]2)cc1 586971381 WCOXRANOMHOSOO-UHFFFAOYSA-N 405.321 3.943 0 1 HHAF Cc1[nH]nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br 587542080 WSHSXBPEYXALPT-ACJLOTCBSA-N 401.216 3.889 0 1 HHAF CCOC(=O)Cc1c(C)[nH]c([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1C 962568871 LKCVLDZQWMPFSS-NPMABZOXSA-N 400.519 3.720 0 1 HHAF O=C(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(F)cc2C[C@H]2CCCN23)cc1 963106831 NDWAYODMBAHVOF-HXUWFJFHSA-N 408.473 3.676 0 1 HHAF CCOc1ccc(CCNC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1OCC 5058792 SOLBBIQMWVMWLC-UHFFFAOYSA-N 415.530 3.965 0 3 HHAF CS(=O)(=O)c1ccc(-c2nn3c4c(cnc3c2-c2ccc(F)cc2)C(=O)CC4)cc1 13861623 FJXUAJMPXCFBBK-UHFFFAOYSA-N 421.453 3.735 0 1 HHAF COc1cc(NC(=O)C[C@@]2(C)N=C(c3ccccc3Cl)N(C)O2)cc(OC)c1 205213112 GDSCZARMIYNRCW-FQEVSTJZSA-N 403.866 3.726 0 3 HHAF CCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1 1857650820 MBQVMCYFJLKYTL-UHFFFAOYSA-N 423.948 3.981 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1 4104580 RQEQFFTZDNRFTL-ISKFKSNPSA-N 421.541 3.779 0 1 HHAF N#CNC(=O)CCCCn1nnc(-c2ccc(OCCCCc3ccccc3)cc2)n1 13452721 ONGBLDWDRZSGRN-UHFFFAOYSA-N 418.501 3.509 0 1 HHAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccsc1)C(C)(C)C)CC2 13588139 QMVDETQCAYXARE-HXUWFJFHSA-N 402.560 3.855 0 1 HHAF Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cc(O)cc(c23)C1=O 13588631 IMXWDRAIHQOYTD-UHFFFAOYSA-N 417.465 3.923 0 1 HHAF COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1C(=O)NCCN(C)C 28389867 JWPBTOBINHJMIW-UHFFFAOYSA-N 417.509 3.906 0 1 HHAF CN1CCN(CCCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 28565963 OYKCJOQSFPGMPP-UHFFFAOYSA-N 408.498 3.572 0 1 HHAF CC(C)c1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1 45391302 AWYTUEYYWYQHLN-UHFFFAOYSA-N 404.311 3.539 0 1 HHAF CCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 64527146 KIJYPBCMKSZQGD-UHFFFAOYSA-N 405.907 3.563 0 1 HHAF COc1ccc(CCN2CC[C@@H](CNC(=O)c3cccc(Cl)c3)C2)cc1OC 71330938 APDQZZKRQKPQDG-KRWDZBQOSA-N 402.922 3.652 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3)c1 95878068 RMCUWMYAWGUVMU-CTUHWIOQSA-N 415.493 3.747 0 1 HHAF COc1cc(C(=O)N[C@@H]2CCCN(Cc3cccc(C)c3)C2)ccc1-n1cnc(C)c1 103225495 YAWLKZUUZBKZQH-JOCHJYFZSA-N 418.541 3.892 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(NC)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253632715 ATNLARLOBDNYEU-JTHHFCNYSA-N 403.611 3.839 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 587118426 PWMCHFGDLJSZSM-UHFFFAOYSA-N 403.158 3.531 0 1 HHAF CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517220 JJKOWZLXDRDFPE-VRBZIXIWSA-N 412.530 3.966 0 1 HHAF CCOc1ccc(-c2nn(Cc3cncnc3)c(=O)c3ccccc23)cc1OCC 587670047 SURDQSUAQQAQRS-UHFFFAOYSA-N 402.454 3.699 0 1 HHAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C=O)c1 587805527 HIGMIOIKYCTDOO-MLCYQJTMSA-N 406.251 3.811 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 587829199 WJHGGODRCMOXEF-ZYHBXEDKSA-N 424.310 3.798 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1 587870975 WHXJJPCOMWZHQE-UHFFFAOYSA-N 424.407 3.589 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc(COc3ccc(F)cc3F)o2)N1 962903928 NABFPSAPKSQGFT-JXFKEZNVSA-N 403.356 3.964 0 1 HHAF Cc1cccc(CNC(=O)C[C@]2(C)c3ccsc3CCN2Cc2cccnc2)n1 962993520 CCLYFMYDMLDFLU-HSZRJFAPSA-N 406.555 3.827 0 1 HHAF COc1ccc2nc(C[C@@H]3CN(C(=O)C4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302608 BPXDVZVIYXGJNZ-IAGOWNOFSA-N 413.518 3.634 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)c2cccc(F)c2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356305957 VQXMYGMNUDPWKI-HIFRSBDPSA-N 413.424 3.637 0 1 HHAF NC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 13656443 VZBAYFTZPWNNBC-APWZRJJASA-N 407.388 3.614 0 3 HHAF COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)cc(OC)c1O 105524134 MPDXBMJHDYBXLL-SXCAWEJJSA-N 413.470 3.720 0 3 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4153570 CFQIMGCYJGHZIT-OXKOKHSUSA-N 410.514 3.700 0 1 HHAF COc1cc(/C=C\c2ccc(OC)c(OC(C)=O)c2OC(C)=O)cc(OC)c1OC 5766841 WKBAIQKBJAZKOF-FPLPWBNLSA-N 416.426 3.742 0 1 HHAF CCCOc1nc2c(NCc3ccccc3)nc(N[C@@H](CC)CO)nc2n1C(C)C 13538304 BYEDYARNUIAGPN-KRWDZBQOSA-N 412.538 3.991 0 1 HHAF COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)ccc1O 14697278 KKBKTGYRMZXDKM-CJFMBICVSA-N 420.461 3.918 0 1 HHAF biogenic,in-vitro Cn1cc(-c2ccc3c(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)n[nH]c3c2)cn1 14949244 WQNGLHBPLCVZOW-UHFFFAOYSA-N 412.497 3.944 0 1 HHAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2c[nH]c3ccccc23)cc1 29060968 WKTKZNZWBRSPNY-UHFFFAOYSA-N 406.389 3.687 0 1 HHAF CCOC(=O)c1ccc(Cl)cc1O[C@H]1CC[C@H]2CN[C@H](C(=O)OCC)C[C@H]2C1 34341699 JLTYDPPVPKBOOX-KPEUIFRASA-N 409.910 3.605 0 1 HHAF Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)c1 43201982 YRBTWWVMRDALFA-UHFFFAOYSA-N 402.487 3.922 0 1 HHAF CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3cscn3)cc2)nc1 45324146 BPRYOPSJCGKCJM-UHFFFAOYSA-N 424.570 3.994 0 1 HHAF COc1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 49052566 OUDJOYYEESPOHX-DEOSSOPVSA-N 405.494 3.980 0 1 HHAF CC(C)(C)OC(=O)Nc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 72139527 MBJDNCCSHXUCIK-UHFFFAOYSA-N 424.457 3.793 0 1 HHAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 72139830 BUPJVJUSLXDZRO-UHFFFAOYSA-N 421.689 3.944 0 1 HHAF CC(=O)NCc1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1 73195736 WGTCYOHHGBIYBF-UHFFFAOYSA-N 411.531 3.574 0 1 HHAF CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)CCC2 96282243 RKYOBSRCJPDOQS-KMDXXIMOSA-N 416.512 3.603 0 1 HHAF O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1Cc2ccccc2C1 103302981 ZTZAUSYERGBZNZ-UHFFFAOYSA-N 407.380 3.549 0 1 HHAF Cc1noc(C)c1Cn1cc(N2C(=O)N([C@H](C)c3ccccc3)C(C)(C)C2=O)cn1 115730851 MRNUKZUIKPPHAN-OAHLLOKOSA-N 407.474 3.845 0 1 HHAF Nc1cccc(CN2C(=O)N[C@H](Cc3ccccc3)[C@H](O)[C@@H]2CCc2ccccc2)c1 169301539 BYSNQIHTZQPUDU-DSITVLBTSA-N 415.537 3.768 0 1 HHAF CO[C@H](c1ccc(N2CC[C@@]3(CC[C@@H](O)[C@H](OC(C)C)C3)C2=O)cc1)C(F)(F)F 169702045 UISKTUYIECGCNM-SOAMZJECSA-N 415.452 3.998 0 1 HHAF CNC(=O)c1sc2ncnc(Nc3cccnc3O[C@@H](C)C(F)(F)F)c2c1C 169708361 XQWPSVHEXMHXCD-VIFPVBQESA-N 411.409 3.828 0 1 HHAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ccc(F)cc1F 205732048 KHIZJQPJSVHSAW-UHFFFAOYSA-N 409.439 3.753 0 1 HHAF Cn1ccc(-c2ncnc3c2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)n1 219417755 SPJDIHWFOLGLES-UHFFFAOYSA-N 421.810 3.748 0 1 HHAF CC(C)CCN(C)Cc1cn([C@H]2CCCC[C@H]2OC(=O)COc2ccccc2)nn1 299814039 HTVHDDRYSONDKD-FCHUYYIVSA-N 414.550 3.862 0 1 HHAF COc1cc(CN2CCCC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 377848963 RRLLLBAHBDCXIX-UHFFFAOYSA-N 404.466 3.509 0 1 HHAF COC(=O)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 586983925 ASNSSPKQKFJTAU-KRWDZBQOSA-N 415.291 3.692 0 1 HHAF Cc1c(Br)cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 587006058 GJSUYTBHOSDGTO-UHFFFAOYSA-N 408.057 3.501 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2F)c1 587144393 VAEBHWNJTNJRQH-UHFFFAOYSA-N 412.402 3.527 0 1 HHAF COC(=O)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cn1 587182645 LKQOJJVMMAHGEM-UHFFFAOYSA-N 413.602 3.670 0 1 HHAF COc1cc(-c2nc3cccc(Br)c3[nH]2)ccc1OCC(=O)NC(C)C 587218953 AIKLCJBFIDRHDI-UHFFFAOYSA-N 418.291 3.904 0 1 HHAF Nc1cccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575094 AKCRNKSWFYGAMC-NFBKMPQASA-N 405.406 3.696 0 1 HHAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1OC 587648802 AZTVHDZBFOFRPW-UHFFFAOYSA-N 409.410 3.757 0 1 HHAF COC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587797633 WLFIJDMFQHYDPH-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@H]1NCCc2c(C(=O)O)cccc21 963124391 QABRDESYDVBLSB-RTWAWAEBSA-N 408.498 3.934 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CCC[C@H](O)C2)cc1F 1772579263 IGVXQZZYKDNDIF-QWRGUYRKSA-N 419.931 3.699 0 1 HHAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772592648 QFMHZXJZAJVBFJ-GZIXRCOHSA-N 418.481 3.763 0 1 HHAF CCOc1c(O)cc(Br)c2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 1772608506 BRIATAZJUYBSAJ-INIZCTEOSA-N 420.303 3.923 0 1 HHAF CN1C(=O)c2cc(Cl)nc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23 1857545518 NLOZYZMPQWGEJK-UHFFFAOYSA-N 408.266 3.932 0 1 HHAF COc1ccc([C@@H]2O[C@](OC)(c3ccc(OC)c(OC)c3)[C@](C)(O)[C@H]2C)cc1OC 2356413273 VOCDWVXLKPORDZ-SESVXGAZSA-N 418.486 3.679 0 1 HHAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccccn2)n1 2356874951 ZXHSRBANEOTCCE-YSIASYRMSA-N 405.571 3.876 0 1 HHAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccccc2OC(F)F)c1 61908772 PZKRELROWVCWMN-NRFANRHFSA-N 406.429 3.908 0 3 HHAF O=C(NC1CCCC1)[C@H](c1ccco1)N1CCN(c2c(Cl)cncc2Cl)CC1 95568744 CUYNMJUZEXAHTK-IBGZPJMESA-N 423.344 3.904 0 3 HHAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356383923 FBUKMTQUBMAGGF-AUYNLRJSSA-N 406.563 3.657 0 1 HHAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4081669 DEOCSBSDPUVFFT-ZVDOUQERSA-N 410.857 3.875 0 1 HHAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 4545980 GLFTVHAVDQJJPP-SESVDKBCSA-N 412.530 3.817 0 1 HHAF CN(C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)c1ccccc1F 6936806 HCXSPSQSCFIVSU-UHFFFAOYSA-N 422.508 3.571 0 1 HHAF Nc1c(F)c(N2CCc3sccc3C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 28821940 OBKDQJQHRCLGCV-UHFFFAOYSA-N 417.437 3.519 0 1 HHAF CN1C2=N[C@H]3C=CC(Br)=C[C@@H]3C2=C(NCCCN)c2cc(Cl)ccc21 103186524 NFOMQZYFCYFMCN-ZFWWWQNUSA-N 419.754 3.685 0 1 HHAF O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2c(F)cccc2Cl)CC1 22922568 VUWRTTSLNQNZQS-INIZCTEOSA-N 413.320 3.690 0 1 HHAF C[C@H]([C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356643291 NRLDULXFOAMEBL-CTDARQAPSA-N 418.666 3.646 0 1 HHAF COc1ccc(CNc2nc(N[C@@H]3CCCC[C@@H]3O)nc3c2ncn3C(C)C)cc1 26649033 XSZUUWVULVZGON-MSOLQXFVSA-N 410.522 3.743 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(Cl)nc2sc(C)cn12 72108084 BIRBLBXDWZCTDP-UHFFFAOYSA-N 423.922 3.719 0 1 HHAF Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCOCC4)n3n2)c1 72183595 BXVAIHBLCNZTRD-UHFFFAOYSA-N 417.488 3.947 0 1 HHAF CCc1cc2oc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2cc1O 84652937 OHUNADGDEWQCLI-UHFFFAOYSA-N 404.474 3.528 0 1 HHAF O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCCNCC1 82074943 LQVWCDJGPGYQPI-UHFFFAOYSA-N 407.314 3.815 0 1 HHAF CNCCCC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 145598285 KSHNRZSDLOVYHT-OAQYLSRUSA-N 417.481 3.837 0 1 HHAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cncc(-c2ccc3c(c2)OCO3)c1 261174362 UMSOHNJFOYQHHU-IBGZPJMESA-N 404.422 3.732 0 1 HHAF COc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@H]3C(=O)O)c(C)o2)cc1OC 621431075 KNLYOUQWXDRVGJ-SFHVURJKSA-N 407.422 3.928 0 1 HHAF CC(/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CCCCCC(=O)O 299863299 KUYFQMXHLKRNIU-SJTXGOMVSA-N 417.502 3.678 0 1 HHAF OC[C@H](CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 653699352 BIJVKMCWAYQCHV-SANMLTNESA-N 416.565 3.971 0 1 HHAF CC(=O)Nc1nc2ccc(OCC3=NN(C(C)=O)[C@H](c4ccccc4)O3)cc2s1 653792916 DRMAFBIGYPROEG-IBGZPJMESA-N 410.455 3.525 0 1 HHAF CCCCc1cc(=O)oc2cc(OCc3nc4c(S)nc(S)nc4[nH]3)ccc12 586918972 UOSJHILHAVUEGC-UHFFFAOYSA-N 414.512 3.958 0 1 HHAF Nc1cc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c2cn1 587171675 UITVLHGJGNMQOI-UHFFFAOYSA-N 417.853 3.800 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)cc(Cl)c12 587568512 DRGQPIGYYKEPHG-LAUBAEHRSA-N 411.772 3.994 0 1 HHAF Cn1ccnc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336723 AKMVDDMJIZJAFK-QPPBQGQZSA-N 415.424 3.963 0 1 HHAF COC(=O)[C@@H]1CC(=O)C[C@@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832141 LURDTEVQDBTCMJ-CRICUBBOSA-N 418.493 3.630 0 1 HHAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1n[nH]cc1Br 962963586 ZODAXPISYSDQRZ-AWEZNQCLSA-N 416.241 3.932 0 1 HHAF COc1ccccc1[C@]1(c2ncccc2C)NCCc2ccc(C(=O)N(C)C)cc21 962926330 BBSRYXUHEDSAHK-VWLOTQADSA-N 401.510 3.538 0 1 HHAF Cc1[nH]c(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(C)c1C(=O)NC1CCCCC1 5135788 IHSSYAPVKUCVHV-IAGOWNOFSA-N 416.610 3.792 0 1 HHAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[P@@](=O)(O)CC 13470219 QRHKHJQRUPOSBK-GPPPFWBLSA-N 402.512 3.859 0 1 HHAF COc1ccc(C2=NN(CCCCCC(=O)O)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474088 OTWDFHFFUNOBLA-DLBZAZTESA-N 402.491 3.702 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](C(=O)NCc1ccncc1)[C@@H]2O 13681792 PHCMYYPTUPNLMJ-XAXPUHOKSA-N 406.526 3.547 0 1 HHAF in-vivo CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCN2CCCCC2=O)C1 15077694 QAOKPURZZQIIGF-IBGZPJMESA-N 412.509 3.544 0 3 HHAF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3cccc(C)c3)cc2)cc1 1857635152 MLDKOCHRJWQDGX-UHFFFAOYSA-N 408.523 3.712 0 1 HHAF CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 760348 ZBAZVYZRDUBELH-FPOVZHCZSA-N 414.546 3.942 0 1 HHAF COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 1783509 JGZGPLHLIOGETQ-DLBZAZTESA-N 410.451 3.518 0 1 HHAF O=C(Nc1ccccc1)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2 3955986 YRFRWUQDXZISJO-UHFFFAOYSA-N 413.543 3.785 0 1 HHAF CC(C)COc1ccc(COC[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 4177306 VUIPZNXKQCQODT-LUYSREMJSA-N 422.518 3.635 0 1 HHAF CN(C)C[C@@H](O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1 13538076 WVTQEDQHWYJROA-QGZVFWFLSA-N 413.909 3.919 0 1 HHAF O=C(Cc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O 26377168 QJGLJQLSDWKUHQ-JOCHJYFZSA-N 421.859 3.954 0 1 HHAF COc1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 49052562 OUDJOYYEESPOHX-XMMPIXPASA-N 405.494 3.980 0 1 HHAF CCNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]32)C1 84671947 BUZBLZXAHHJJTE-RWLOVDMJSA-N 404.595 3.894 0 1 HHAF COc1cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)ccn1 95573369 OJAQXSAISVSZNQ-XMMPIXPASA-N 411.440 3.697 0 1 HHAF CCCCc1ccc(OCC(=O)N(Cc2nc(-c3cnccn3)no2)C(C)C)cc1 95603330 MKIQVOYVLHTYHS-UHFFFAOYSA-N 409.490 3.685 0 1 HHAF COC(=O)c1c(CNC(=O)c2ccccc2)c(=O)c2ccccc2n1-c1ccccc1 96170243 QBHJEBDTHFHMHF-UHFFFAOYSA-N 412.445 3.707 0 1 HHAF CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@H]1c1ccc(OC)c(OC)c1 103203359 OTDJXAUVSKUCAH-NRFANRHFSA-N 423.513 3.628 0 1 HHAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@H]3C2)n1 116821579 GDYPZYXSMGJUAS-KDURUIRLSA-N 402.473 3.800 0 1 HHAF O=C(Nc1ncnc2c1cnn2CCN1CCCCC1)c1ccc(Cl)cc1Cl 147766134 XMSJPERDQJYCPZ-UHFFFAOYSA-N 419.316 3.871 0 1 HHAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F 261128627 KRYUSOZLPYCSEV-VHDGCEQUSA-N 407.507 3.740 0 1 HHAF O=C(NCc1ccc(-c2ccncc2)cc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1 299829189 UCMUULLNSZJYAT-UHFFFAOYSA-N 415.428 3.793 0 1 HHAF Brc1ccc(NCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586996001 NGOLCXRNCIHTLP-UHFFFAOYSA-N 415.335 3.812 0 1 HHAF O=C(O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1 587006704 QUIMBLNNZBWUCG-UHFFFAOYSA-N 424.254 3.901 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587040532 NNOYMWASBNKXQI-QGZVFWFLSA-N 411.483 3.621 0 1 HHAF COCCN1C(=O)CC[C@H](c2nc3ccc(CO)cc3[nH]2)[C@H]1c1ccccc1Cl 587062657 IDQQXJIASHHSNZ-HRAATJIYSA-N 413.905 3.802 0 1 HHAF COC(=O)c1ccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2n1 587147570 UGXCPXDNOIEFSC-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NS(C)(=O)=O)c(F)c1)CC2=O 587467390 QYXLKRIWUNWJSX-FQEVSTJZSA-N 407.463 3.736 0 1 HHAF Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587554127 HHXLBARXWGNTNF-LRDDRELGSA-N 406.316 3.553 0 1 HHAF CCOC(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587777415 HMNGBGNTBXZUID-BLVKFPJESA-N 407.283 3.714 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCC(=O)O)c2)N1 587791838 IQAAOQWPNVTUSG-NSPYISDASA-N 408.267 3.849 0 1 HHAF CC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 653794079 IIGBXHDBLGINSK-UHFFFAOYSA-N 417.387 3.950 0 1 HHAF COc1ccc([C@@]2(c3ccc(F)cc3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962921835 FDTDDASKBAKDNJ-RUZDIDTESA-N 404.485 3.974 0 1 HHAF CN1C(=O)C[C@H]2CN[C@H](c3ccc4c(Br)ccc(O)c4n3)c3cccc1c32 963027443 NYRYOMRNYQDMMR-YBTHPKLGSA-N 424.298 3.846 0 1 HHAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cnc4[nH]cnc(N)c3-4)cc2F)[nH]o1 1857602605 RTOAEFXIMHUAME-UHFFFAOYSA-N 409.425 3.649 0 1 HHAF O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(-c2ccoc2)c1 1857604469 JRTPBWXSUMUMDW-UHFFFAOYSA-N 407.447 3.984 0 1 HHAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2cn(CC3CC3)c3ccccc23)C(=O)O1 1857758737 XHUGZQWFSKJGAZ-AFAPPVNZSA-N 411.498 3.702 0 1 HHAF C[C@H](CCCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356870245 XOUBHVKCXRSUEN-KKQAHQLYSA-N 422.606 3.839 0 1 HHAF F[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)C[C@H]1OCc1nc2cnccc2[nH]1 2356301977 JEIKRIJBJMROOQ-RHSMWYFYSA-N 410.371 3.596 0 1 HHAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC 2485110 ILEVNGNSKJXSHP-UHFFFAOYSA-N 400.406 3.541 0 1 HHAF COc1ccc(CN2CC[C@@H](CC(=O)O)[C@H](Cc3nc4ccc(OC)cc4[nH]3)C2)cc1 2356305896 QWMDPPRYYFGIIA-ZWKOTPCHSA-N 423.513 3.736 0 1 HHAF CC(=O)c1cccc(OCCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 103197307 OWTRXRCUBBXZIJ-UHFFFAOYSA-N 400.906 3.770 0 1 HHAF O=C(Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12)C(F)(F)F 118242393 RFUWUZBTSXDASW-CYBMUJFWSA-N 411.334 3.850 0 1 HHAF Cc1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)ccc1C1CCN(C)CC1 115624413 KJSUQIWNXHPPTF-UHFFFAOYSA-N 405.546 3.933 0 1 HHAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2n[nH]c3cc(F)ccc23)CC1 26493953 NPKCLZQNGLZUCO-JOCHJYFZSA-N 420.488 3.594 0 1 HHAF CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 117888351 SCMASSPGIAAGHN-UHFFFAOYSA-N 413.485 3.763 0 1 HHAF O=c1c(N2CC[C@@H](O)C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 114764263 WBQLTIHOUOWFAC-OAQYLSRUSA-N 424.589 3.717 0 1 HHAF COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2cccc(F)c2)C=C1C 2356847895 PAICLUJCWNFTIA-ZVDOUQERSA-N 404.526 3.563 0 1 HHAF COC[C@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1COC 39011307 OGTJJRNJLHLKFF-ROEJJBDBSA-N 416.470 3.770 0 1 HHAF CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccc(F)cc3Cl)CC2)c1 40893922 LRYGLEFXQFSYQL-UHFFFAOYSA-N 405.857 3.914 0 1 HHAF CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 148748932 NXJWISYZCAYZPY-XOWFKELMSA-N 419.468 3.520 0 1 HHAF O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893431 QGXLTBAJCUHLHN-FDFHNCONSA-N 423.488 3.723 0 1 HHAF CCCCNc1ncc(C(=O)Nc2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 261075960 AXMGRXURKXGCPI-JCNLHEQBSA-N 413.522 3.665 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@H](C(=O)NCc1cccnc1)[C@@H]2O 299870046 JLDAJRITWUSQME-INFXZXEZSA-N 406.526 3.547 0 1 HHAF in-vivo CCS(=O)(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995909 LFCLXTRLNGTVHQ-UHFFFAOYSA-N 408.321 3.774 0 1 HHAF O=C(O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 587000223 NVLZZDCDOVLODB-UHFFFAOYSA-N 401.172 3.503 0 1 HHAF O=C1C[C@@H](c2nc3ccnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587148682 JYWPCSXVRHCPFM-SNVBAGLBSA-N 407.218 3.515 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2ccc(OCCN(C)C)cc2[nH]1)C(F)(F)F 587093627 WJRNDDCBESCHLT-HXUWFJFHSA-N 422.451 3.667 0 1 HHAF CN1C(C(=O)O)=C[C@]2(c3ccccc31)c1ccsc1CCN2Cc1cccnc1 963001873 XYIXRFUICMGARN-QHCPKHFHSA-N 403.507 3.863 0 1 HHAF CC(C)[C@@H](N)[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924826 HCZAZIXUGZYBOK-NSHGMRRFSA-N 424.419 3.524 0 1 HHAF COc1ccc(Br)cc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229414 KVASDJJCSOBCKY-MJGOQNOKSA-N 413.271 3.694 0 1 HHAF C[C@H](O)C(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1 1772597704 DZYSAKZOLUKUDS-ROUUACIJSA-N 408.542 3.592 0 1 HHAF O=C(CCc1ccccc1)Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 13476878 CNWMLBNTIOUEFJ-JOCHJYFZSA-N 416.477 3.684 0 1 HHAF CC(C)=CCC/C(C)=C/CCC(C)(C)CCNC(=O)[C@H](CP(=O)(O)O)C(=O)O 13742379 XTWQCOYJSBBHQW-KGZWWPETSA-N 417.483 3.870 0 1 HHAF O=C(NCCC1CCN(C[C@H]2COc3ccccc3O2)CC1)NC1CCCCC1 13813662 RHMDXGNHLMFANS-FQEVSTJZSA-N 401.551 3.560 0 1 HHAF COC(=O)c1c(O)cccc1OC[C@H]1C[C@H]1c1cccc(-c2cc(C(=O)O)no2)c1 14954257 XSCGTWVGLHSJGP-CABCVRRESA-N 409.394 3.715 0 1 HHAF COc1ccc(C[C@H](N)CCCC[C@@H](N)Cc2ccc(OC)c(OC)c2)cc1OC 169325307 ZWEFGEBBKBNPER-WOJBJXKFSA-N 416.562 3.721 0 1 HHAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1ccnc(-n2cccn2)c1 167586948 FEGKGROBQXJQRV-GOSISDBHSA-N 406.486 3.928 0 1 HHAF N[C@H]1C[C@@H](N2Cc3nc(C(F)(F)F)[nH]c3C2)CS[C@H]1c1cc(F)ccc1F 204682681 WETDRJKYGAIISS-LYSGOOTNSA-N 404.408 3.596 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@H](C(C)=O)[C@@H](N4CC4)C[C@@H]32)C1 1857622882 WRCFYFRXAYMSAE-MNDQBHQFSA-N 415.574 3.639 0 1 HHAF CC[C@@]1(C)CC(=O)c2c(ccc3oc(C(=O)N4CCC5(CC4)OCCO5)c(C)c23)O1 6808048 GJASHGCYWNISJM-QFIPXVFZSA-N 413.470 3.854 0 1 HHAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O2)cc1 13704153 PLVHSDRBIYXRLL-FJTQAPLLSA-N 404.503 3.775 0 1 HHAF COc1ccc(OC)c(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1 16041952 AIOICLPSIYLAJF-GOSISDBHSA-N 405.454 3.814 0 1 HHAF biogenic CSc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1 26840868 VSGGNWLHIXUIFA-UHFFFAOYSA-N 413.522 3.590 0 1 HHAF Cc1cn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2c1C(=O)CC(C)(C)C2 36479305 SIEDNUHWSIZMAF-UHFFFAOYSA-N 409.530 3.755 0 1 HHAF CC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 40918826 OHVAIXHVENNVJI-JCYRPKCISA-N 419.569 3.544 0 1 HHAF CN1CCC[C@@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@H]3CCCN3C)ccc1-2 73404855 MPSVSIQCCLCJPT-QZTJIDSGSA-N 406.526 3.844 0 1 HHAF CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072646 QUSRNXAGBGKQQE-LJQANCHMSA-N 415.559 3.738 0 1 HHAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 82209219 WBAWVWLLYPOTDV-HXUWFJFHSA-N 418.541 3.921 0 1 HHAF C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211473 SRNCKICRNPMNBF-CQSZACIVSA-N 420.444 3.542 0 1 HHAF O[C@H](COc1ccc(Cc2ccccc2)cc1)CSc1nnnn1-c1ccccc1 84709602 JQZCFQSXJWRHLY-OAQYLSRUSA-N 418.522 3.785 0 1 HHAF OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccccc3)cs2)cc1 96274015 CMBJCLHLCIYVRO-RTWAWAEBSA-N 409.555 3.914 0 1 HHAF CC(=O)N1CCC(c2nccnc2O[C@H]2C[C@H](Nc3ccc4ccccc4n3)C2)CC1 145046413 UUKCBNBPKAEKBA-BGYRXZFFSA-N 417.513 3.773 0 1 HHAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nc(C(F)F)co3)C[C@H]2CS1 169708476 LOMSVYYCZMWWKZ-LCUABVJFSA-N 401.385 3.925 0 1 HHAF CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@H](c2c[nH]c3ccccc23)C1=O 169718177 VNOOXNILBJFIMU-CJFMBICVSA-N 418.493 3.664 0 1 HHAF CC(C)[C@H]1CC(=O)N[C@@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 209022962 WHWVTFZQJAFIJR-ZHRRBRCNSA-N 413.522 3.642 0 1 HHAF COc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1 299871095 XSFHUPCPTPMEMU-UHFFFAOYSA-N 417.469 3.973 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 299880971 NEAVIXCFIBOSNW-ORPRQENYSA-N 403.885 3.637 0 1 HHAF O=S(=O)(CCc1nc2ccc(Br)cc2[nH]1)c1ccc2c(c1)CCC2 586920818 RMMDMHXTYYTHCE-UHFFFAOYSA-N 405.317 3.831 0 1 HHAF Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C(F)(F)F)c1 587095296 CIDHGIFMMWSVAP-UHFFFAOYSA-N 400.364 3.890 0 1 HHAF CN(C)/C=C/[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343815 VMJWNIKXSQAFCA-MOYZMFQZSA-N 407.445 3.595 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)O2 587399246 HRYUMGVFGQZLPY-XMMPIXPASA-N 403.434 3.950 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(O)c(C)c(O)c41)[C@@H](C2)C3=O 587448212 ARDNNWXZNALNPB-GKVSMKOHSA-N 414.413 3.650 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(O)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587451685 QYXHEODDKLSNEL-CYFREDJKSA-N 402.402 3.790 0 1 HHAF COc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587540828 BXWYNXXLMQIPFN-KNQAVFIVSA-N 412.825 3.904 0 1 HHAF Nc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587575800 DKDARXKAJBZAAZ-OFNKIYASSA-N 405.406 3.696 0 1 HHAF C[C@@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596120 QWMMJDCOMINKIP-RDPSFJRHSA-N 416.433 3.799 0 1 HHAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC 587747547 LYFIQAHVADUOBJ-GIGQVBGESA-N 409.299 3.985 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 587751175 WSDJQHQMRUOASY-LIUKBUMOSA-N 421.310 3.558 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCC3)N1 587827323 KIICHNWMKNRQGY-PRWKNARSSA-N 404.279 3.939 0 1 HHAF COc1cc([C@H]2CC(=O)c3c(O)c(C)c(OC(C)=O)c(C)c3O2)ccc1OC(C)=O 685935600 AOLRIXVCSLTLKV-QGZVFWFLSA-N 414.410 3.575 0 1 HHAF biogenic,in-vitro Cc1c2c(nn1C)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)N[C@@H](C(=O)O)C2 962704894 DRPOACPGIPDTPD-GOSISDBHSA-N 416.308 3.926 0 1 HHAF Cc1cc2c[nH]nc2c2c1NC(=O)[C@]21c2cc(Br)cc3c2C(C)(C)CN31 963073593 WABDOJQCEZQDML-FQEVSTJZSA-N 409.287 3.941 0 1 HHAF COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)c1c(F)cccc1C[C@@H]1CCCN12 963099773 IJSVHHFPSLLPIA-CEXJFXJFSA-N 418.509 3.614 0 1 HHAF Cc1cc2c(cc1O)[C@@](c1ccccc1)(C(C)(C)Br)N[C@H](C(=O)O)C2 963521815 CFPZVZVTCYMCEP-JXFKEZNVSA-N 404.304 3.717 0 1 HHAF CC(C)OC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12 1772628003 XZSFUUWQKJRFPB-LLVKDONJSA-N 400.414 3.937 0 1 HHAF CCN(CC)C(=O)CC[C@@H]1C(=O)N(CCC(C)C)c2cc(Cl)ccc2C(=O)N1C 1772636907 JVAUJWGOEFTPKV-GOSISDBHSA-N 421.969 3.822 0 1 HHAF COc1ccc(Cc2c[nH]c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccccc1 1857611893 XJSVXLDGDAHQQG-UHFFFAOYSA-N 420.490 3.886 0 1 HHAF COc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br 95600759 VYATYEIQRJUQDW-UHFFFAOYSA-N 403.070 3.786 0 3 HHAF O=C1CC(=O)N(CCc2ccc(Cl)cc2)C(=O)N1CCc1ccc(Cl)cc1 102830474 SGTZNSXBHXPZQJ-UHFFFAOYSA-N 405.281 3.960 0 1 HHAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 29402668 PCALQRJKBBDAFN-YWQGAKJTSA-N 403.563 3.725 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 118921452 GFKPZXCORVBYSW-DKUOUXCGSA-N 420.590 3.745 0 1 HHAF C[C@](O)(CC(=O)O)C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 27439282 MTVLVZQBVTVBGN-VGOFRKELSA-N 412.511 3.813 0 1 HHAF c1cnc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1 26574706 HKDCDBFKNRMFSY-UHFFFAOYSA-N 414.513 3.611 0 1 HHAF CN(C)CCN1C(=O)c2c(NC(=O)C(C)(C)C)ccc3cc4c(c(c23)C1=O)CCCC4 26829199 XPEXBNVYHUDWOA-UHFFFAOYSA-N 421.541 3.861 0 1 HHAF CCCCCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2110638 IRDOANXRVJCKEE-UPCLLVRISA-N 424.545 3.679 0 1 HHAF biogenic O=C(Nc1ncnc2c1ncn2Cc1ccc(F)cc1)c1ccc2cccnc2c1O 34821656 GJWVTWYMZBPKIQ-UHFFFAOYSA-N 414.400 3.520 0 1 HHAF CN(Cc1nc2c(CNCCc3cnc[nH]3)cccc2[nH]1)[C@@H]1CCCc2cccnc21 38268644 FWOUHVFETOOCEE-OAQYLSRUSA-N 415.545 3.523 0 1 HHAF Cc1c([C@@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@@H](C)C[C@H](C)O)oc(=O)c1C2 36389240 NWBQYTCWXYBQRT-CYDGBPFRSA-N 418.486 3.655 0 3 HHAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)CC1 82164494 SSRZIRXCDNHMKF-UHFFFAOYSA-N 411.506 3.692 0 1 HHAF Brc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCO4)c1 84690050 ITIUGXULOLVCPV-UHFFFAOYSA-N 402.248 3.924 0 1 HHAF O=S1(=O)[C@@H]2C[C@@H]3O[C@@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 195434643 DZSBJQYROJIKMG-HAGHYFMRSA-N 407.894 3.708 0 1 HHAF CCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c(C)c1 40895869 ODUWWXHHKSBGFC-QGZVFWFLSA-N 402.878 3.787 0 1 HHAF COc1cc2nc(N3CCCC3)nc(NCc3ccc4c(c3)OCO4)c2cc1OC 82119631 CCBLUCDZIWNPIH-UHFFFAOYSA-N 408.458 3.588 0 1 HHAF CCCC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@]21[C@H]43 40403976 VDGDSNQYFYXHGB-FBIMLFAASA-N 420.546 3.795 0 1 HHAF CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 82069619 MLCCKEDDNVTQLF-IBGZPJMESA-N 414.502 3.862 0 1 HHAF CC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N(C)C)CC4)nn23)cn1 96907655 CEUYRPFXZOTKQS-UHFFFAOYSA-N 407.566 3.780 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3cnccn3)cnc2C1 95565491 VMSBZGDNJARIGA-UHFFFAOYSA-N 407.783 3.668 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F 261162381 RCORLUPQTRNDHM-DWBZUHSKSA-N 421.534 3.844 0 1 HHAF O=C(c1cccc(Oc2ncccn2)c1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 618017063 AUWUBUAOGJKRID-HSZRJFAPSA-N 416.437 3.510 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 299882256 PKBSLSMZIIHRQU-ORPRQENYSA-N 403.885 3.637 0 1 HHAF O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccccc1C(=O)OCC(F)(F)F 68576322 DFFJUXLCJJJYOI-UHFFFAOYSA-N 417.796 3.581 0 1 HHAF biogenic COC(=O)c1cc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2cc1OC 587167766 CPTQSSOMNYLRKJ-UHFFFAOYSA-N 407.405 3.622 0 1 HHAF CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 587381334 HEQRZUUQMUREQU-HXUWFJFHSA-N 411.351 3.948 0 1 HHAF C[C@@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551790 JPFPLNBRNXXKSF-UGSOOPFHSA-N 406.225 3.711 0 1 HHAF Nc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587575801 DKDARXKAJBZAAZ-REWPJTCUSA-N 405.406 3.696 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586937037 OXGRJDCWOJENKQ-GFCCVEGCSA-N 415.462 3.753 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)nc2[nH]1)C[C@@H]1CCCO1 587196696 VMMLWQAFVTXGEW-NSHDSACASA-N 411.300 3.637 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1ccc(I)o1)N(C)[C@@H](C)C2 962640571 WWAWHLFEYJBAGM-BTDLBPIBSA-N 413.255 3.867 0 1 HHAF COC(=O)Cn1cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2ccccc21 962732137 XFGWATIFKNQWQE-FXAWDEMLSA-N 416.399 3.549 0 1 HHAF CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1[C@H]1c2c(cnn2C)CCN1C 963954195 HOHVWHGNDRCLRS-SFHVURJKSA-N 407.301 3.962 0 1 HHAF Cn1nc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1-c1cccs1 962995567 OMQIFUGFVNOTOC-SJKOYZFVSA-N 409.845 3.769 0 1 HHAF COc1cc2c(cc1OC)[C@](C)([C@H](C(C)=O)c1ccccc1C(=O)O)N(C)[C@H](C)C2 962640511 REHGLUILQUKSPZ-FUEHQLCJSA-N 411.498 3.866 0 1 HHAF CN(CCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 12358048 DWPTVWXVZBYAIW-GOSISDBHSA-N 411.483 3.627 0 1 HHAF C=CCNC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C)N2C1=O 15968314 HFYFGNBWXFQNGS-VBKZILBWSA-N 414.465 3.538 0 1 HHAF biogenic O=C(O)CCC[C@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 169684727 JMWCVJVFWQMHJX-FYYLOGMGSA-N 412.507 3.997 0 1 HHAF CCOc1cc(F)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204171750 QCYDLOHINRAHID-UHFFFAOYSA-N 407.449 3.699 0 1 HHAF Cc1cccc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)c1 209722961 IQNMEHLMIAQCCO-OAQYLSRUSA-N 418.493 3.912 0 1 HHAF FC(F)(F)c1cccc(-c2nc3cc(Nc4cc(-c5nn[nH]n5)ccn4)ncc3[nH]2)c1 1857760722 UXFVNFLUIMJODR-UHFFFAOYSA-N 423.362 3.962 0 1 HHAF COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC[C@@H]2CCO)cc1 714106 YMEULLMVARGCEF-QGZVFWFLSA-N 416.905 3.978 0 1 HHAF CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc12 5909933 FTLITUZYZALGKO-OAHLLOKOSA-N 409.438 3.884 0 1 HHAF biogenic O=C(/C=C/c1ccc(I)cc1)Nc1ccc2c(c1)OCCO2 28863798 MGKULJNLDATGMP-FPYGCLRLSA-N 407.207 3.714 0 1 HHAF COc1ccc(Oc2cccc(CC(=O)O)c2)c(NS(=O)(=O)c2ccccc2)c1 45254583 SBVYTWNHKAGTKI-UHFFFAOYSA-N 413.451 3.915 0 1 HHAF COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(C)cc2)oc1C 45352120 NBQMPXDXOYWQIF-HXUWFJFHSA-N 417.465 3.954 0 1 HHAF CC(C)[C@H](NC(=O)OCC(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95591662 ZRYJYMRLMPZWBS-RNCFNFMXSA-N 421.416 3.926 0 1 HHAF COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 96270630 SCWHHXLTCHIVBS-UHFFFAOYSA-N 420.557 3.899 0 1 HHAF CCCCN(C)C(=O)Cn1c2nn(-c3ccc(F)cc3)c(=O)c-2c(C)c2ccccc21 101449271 XMSNXDPXGVQOSR-UHFFFAOYSA-N 420.488 3.998 0 1 HHAF COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(C)(=O)=O 114469619 GEGHYPJCEYLTLJ-UHFFFAOYSA-N 406.467 3.739 0 1 HHAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4ccncc4[nH]3)ccnc2N1 150320684 QTUSAODLDZOJAR-ACRUOGEOSA-N 411.421 3.672 0 1 HHAF CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nccs3)nc21 168639278 IICNZQXMUDVBGZ-UHFFFAOYSA-N 421.530 3.910 0 1 HHAF CC(C)c1nnc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@@H]2c2ccccc2)s1 169688687 ZDTFAGXQRKCDIJ-GJZGRUSLSA-N 411.508 3.879 0 1 HHAF CN(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928989 OBAUVKHSKGTULR-UHFFFAOYSA-N 419.812 3.936 0 1 HHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 586929977 FGAYYGFWXMLWGK-UHFFFAOYSA-N 421.906 3.700 0 1 HHAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 586961909 UBCUHXKQSPZIDQ-CCKFTAQKSA-N 412.515 3.661 0 1 HHAF CC1=C(c2ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3c2)NNC(=O)C1 587002362 DMGUJVTUUITKEQ-UHFFFAOYSA-N 423.274 3.624 0 1 HHAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587067232 ZLYGJUREJYZTKK-UHFFFAOYSA-N 407.923 3.787 0 1 HHAF O=S(=O)(Nc1ccsc1-c1nc2nc(Cl)c[nH]c-2n1)c1ccc(F)cc1 587171142 ZZHZNEPXMZZGPR-UHFFFAOYSA-N 409.855 3.626 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(Br)cc(OC)cc1OC)[C@@H](C2)C3=O 587413719 PLFNNQHWOSCRRR-BUXKBTBVSA-N 405.244 3.964 0 1 HHAF CCc1nccn1Cc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587431119 MXWOKICGZOSGMP-KOSHJBKYSA-N 404.466 4.000 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NS(=O)(=O)CC)cc1)CC2=O 587490353 XGEFPGTVZJDEMW-NRFANRHFSA-N 403.500 3.987 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587789761 COXDUPPLYMDHSY-SUFBMKPHSA-N 402.304 3.553 0 1 HHAF COc1ccc2c(OCCn3c(=O)oc4ccc(-c5cnn(C)c5)cc43)ccnc2c1 653727850 WUDLBRVXLBTUDF-UHFFFAOYSA-N 416.437 3.631 0 1 HHAF COc1ccc(OC)c(-c2cc(-c3ccc(C(=O)N4CCOCC4)s3)on2)c1 653840736 ZKYFWRZHOGYQJM-UHFFFAOYSA-N 400.456 3.560 0 1 HHAF Cc1ccc2c(c1)[C@@]1(NCC3(CCOCC3)c3cccc(C(F)(F)F)c31)C(=O)N2C 962957152 MUAXIKZESMKSGV-QFIPXVFZSA-N 416.443 3.885 0 1 HHAF Cc1cn(C[C@@H]2CCCN(Cc3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772599448 BRLFHTSNNBSJQI-HXUWFJFHSA-N 405.498 3.962 0 1 HHAF COC(=O)c1cccc(CN2CCC(NC(=O)c3ccc(Cl)nc3Cl)CC2)c1 1772610617 MPWMVDMFVVXEBI-UHFFFAOYSA-N 422.312 3.569 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC[C@@H](C(=O)NC(C)C)CC3)c2)c1 1772629856 SMXMOBXSZAUXNA-HXUWFJFHSA-N 408.546 3.769 0 1 HHAF CCCCCCn1cnc2c(Nc3ccc(O)cc3)[nH]c(=N[C@H]3CC[C@H](N)CC3)nc21 1857763828 UJCCSKGUUJAEQG-SAABIXHNSA-N 423.565 3.960 0 1 HHAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356438759 RHTRCBYVLGLHFF-ZVDOUQERSA-N 409.530 3.966 0 1 HHAF CO[C@@H]1CC[C@H](C)C=CCCC(C)=CC(=O)O[C@H](CC(=O)[C@@H]2CSC(=O)N2)C1 2356617827 SMSHEBYPBWDJEV-BGTYHANMSA-N 409.548 3.800 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCOC 4310530 IHHXWAXUQDBHTQ-NHCUHLMSSA-N 406.523 3.870 0 1 HHAF CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 4971242 IITYYCJLORYTMN-PKTZIBPZSA-N 422.525 3.799 0 1 HHAF CCNC(=O)[C@H](C)/C=C/[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)OC)cc1 7992693 ZJOBRWSWAPAQAF-ZOKKEOCXSA-N 424.497 3.769 0 1 HHAF COc1cc(/C=C2\NC(=N)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 58582172 HWSBKMRAUMWKMJ-HNIBHBHRSA-N 419.460 3.797 0 1 HHAF C[C@@H](CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27736332 ZOYCOQVOODGYKD-XDHUDOTRSA-N 404.510 3.725 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)CO[C@@H](C[C@@]1(C)O)[C@H]23 2356631544 GAOMOYCMAISIED-QILURPMRSA-N 418.574 3.928 0 1 HHAF N[C]1C=CC(I)=CN1CC(=O)c1ccc(Cl)c(Cl)c1 2356831941 CKAWEYFBTDXJQE-UHFFFAOYSA-N 408.046 3.772 0 1 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(N(C)C)c2)O3)cc1 61908218 AKAOLLQBFOEPDH-QFIPXVFZSA-N 416.481 3.715 0 3 HHAF C[C@@H]1c2nnn(-c3ccn[nH]3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225996241 UODYYRBVDYRVGB-SECBINFHSA-N 408.771 3.850 0 1 HHAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCCCN(C)C 82082780 PUQYLEAVKQEOJM-GOSISDBHSA-N 418.563 3.526 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4[C@H]4C[C@H]43)c2)cc1 195377010 ZHDUETSVHPQFSE-BPIQYHPVSA-N 414.461 3.505 0 1 HHAF CCOC(=O)C[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361516 ZCDDFFKLULEZLV-VSUDMRMVSA-N 414.429 3.619 0 1 HHAF Nc1nc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cs1 587021462 LTJQNULHSOHTNE-UHFFFAOYSA-N 419.251 3.935 0 1 HHAF COc1cc(C(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587595283 QWOIYUNUPQJAFU-UGKGYDQZSA-N 422.389 3.811 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)nc2)N1 587764339 DMBISIJALURCRD-KZULUSFZSA-N 405.315 3.992 0 1 HHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cnc(Br)cc4[nH]3)no2)n1 587118825 QWCRFVCGDRIILV-UHFFFAOYSA-N 413.157 3.639 0 1 HHAF Ic1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587017915 QZEGBAMOUXFSDH-UHFFFAOYSA-N 408.224 3.870 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C=O)ccc3OC)nc2c1 587785879 DOUMWMHHMUNKMJ-UHFFFAOYSA-N 403.232 3.990 0 1 HHAF CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[C@H]2CCCN(C(=N)N)C2)cc1 13558004 FGEREYFDTXCNSI-KRWDZBQOSA-N 421.545 3.780 0 1 HHAF C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)CC/C=C(\C)CNc1ccccc1 13916185 HODAIPJPJAZJEY-GGQZXFEVSA-N 405.324 3.998 0 1 HHAF in-vitro CC(C)COc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 16040385 HEBXIQDRIXAYPX-ALGQRKQJSA-N 422.518 3.635 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccccc2)cc1 169586066 AGPADCZTLLHBPM-GGAORHGYSA-N 403.507 3.862 0 1 HHAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@H]1CC[C@@H](c2ccccc2F)C1 169704977 HCJRRLHGQPTXJV-ZBFHGGJFSA-N 412.465 3.623 0 1 HHAF O=C(N1CCN(c2cncnc2-c2ccccc2)CC1)N(CCF)Cc1ccccc1 209478904 DYULUICZQKTAOA-UHFFFAOYSA-N 419.504 3.857 0 1 HHAF CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5ccccc5)cn4)ccc(c23)C1=O 103230299 LLKYDCMEJPKINW-UHFFFAOYSA-N 410.477 3.850 0 1 HHAF CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@@H]2N(C)C1 100057245 VKRAXSZEDRWLAG-PXAZEXFGSA-N 402.336 3.669 0 1 HHAF in-vitro Cc1nc2cc(-c3ccccc3)nn2c(N2CCN(C(=O)c3ccoc3)CC2)c1C 61944461 JQRGTKHFOUFTOA-UHFFFAOYSA-N 401.470 3.569 0 3 HHAF CCOc1cc2ccc(OCCn3c(CC)nc4ccccc4c3=O)cc2oc1=O 26573703 DEUGCGBUAYTTND-UHFFFAOYSA-N 406.438 3.543 0 1 HHAF CNc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 62179114 MOOQXTUPPQCLBO-NTRGXQNNSA-N 422.573 3.512 0 1 HHAF COc1cc([C@@H](OP(=O)(OC)OC)P(=O)(OC)OC)cc(OC)c1OC 29222596 JIPPGBCMSBEADE-AWEZNQCLSA-N 414.284 3.614 0 1 HHAF CO[C@]1(C(C)C)CC[C@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 2356745095 CJTKUZUOJCPZPE-XQYOHNASSA-N 403.563 3.935 0 1 HHAF C[C@@H]1C[C@@H](OCc2ccccc2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40915538 LPXGVLHUXSTHPK-DNVCBOLYSA-N 414.893 3.881 0 1 HHAF CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(C)c2)C1=O 26771999 IQWHACXLXMSVQX-ZJSXRUAMSA-N 401.510 3.961 0 1 HHAF biogenic CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NCC)c(OC)c1)CC2=O 587470390 MGOIWQHXRMOWDW-HXUWFJFHSA-N 413.470 3.575 0 1 HHAF O=C(Nc1nc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cs1)c1cccc(O)c1 587020102 WULQFJLTQKGPTF-UHFFFAOYSA-N 403.826 3.756 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O 587433371 WWZXLRAGJQUGRT-FYSMJZIKSA-N 418.449 3.746 0 1 HHAF COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523645 LOKFCAOVBORZNE-XMMPIXPASA-N 408.450 3.776 0 1 HHAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587613276 XVEVNGNZPNNPAJ-ZFIFVKQDSA-N 422.433 3.573 0 1 HHAF COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600192 MTWJRGBJWYFJRQ-URXFXBBRSA-N 420.417 3.821 0 1 HHAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC 587811357 ZJNKGZYHABAVCE-XLFHBGCDSA-N 424.266 3.927 0 1 HHAF CN(C)C(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019202 KDYPQCVKQALHLM-UHFFFAOYSA-N 420.498 3.956 0 1 HHAF CNC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341756 YHOOQJWUWRQBFG-LADGPHEKSA-N 405.425 3.922 0 1 HHAF Cc1cnc(Cl)c2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 587181908 HSIFUHTZZSRBBA-MRVPVSSYSA-N 401.639 3.639 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 587735172 WVHOAOPLPQAFFL-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF Cc1cc(C)c2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 586941313 JQSJLUISDRLMSD-UHFFFAOYSA-N 408.527 3.877 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3cc(C(=O)O)no3)c1)O2 587394551 HGOHGDCBAVNRHN-JOCHJYFZSA-N 408.410 3.723 0 1 HHAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3CCOC3)[nH]c2c1 586911306 GORMOPSFUAHNOL-NSHDSACASA-N 411.405 3.886 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758022 WKVFGEUJAMBVPQ-OLJUIYSSSA-N 413.331 3.736 0 1 HHAF COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587024953 CYOBOGJEQJLUBF-OLMNPRSZSA-N 424.526 3.881 0 1 HHAF O=C1[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]42 587352711 NMQDICCAUIOBBZ-QTZVXHCSSA-N 402.421 3.586 0 1 HHAF O=C(O)CCN(CCc1nc2cc(Br)cc(F)c2[nH]1)Cc1ccccc1 587193423 KTQSIFMTKXGBRZ-UHFFFAOYSA-N 420.282 3.984 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccccc2Br)(C(F)(F)F)N1 962925583 WARQSUHQYRGDCI-HOCLYGCPSA-N 418.184 3.993 0 1 HHAF CN1CCc2c(Br)cccc2[C@@]12C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 963290458 VZZDRJHPXZCKSD-ZCNNSNEGSA-N 406.320 3.612 0 1 HHAF COc1ccc2c(c1)N(CCC(=O)O)C=C[C@@]21c2ccc(F)cc2C[C@H]2CCCN21 963098200 GEHRMPQKEWMBBS-HOYKHHGWSA-N 408.473 3.907 0 1 HHAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1NCCc2cnc3c(OC)cccc3c21 963063078 ZBQXVZSXPGPXOJ-HXUWFJFHSA-N 408.502 3.607 0 1 HHAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(COc2ccc(F)cc2F)on1 13636943 NJXQBOCBDWFLMG-QGZVFWFLSA-N 413.424 3.536 0 3 HHAF Cc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)ccn1 169707949 VUFUIUMXNGMOGH-UHFFFAOYSA-N 400.442 3.594 0 1 HHAF C[C@H]1Cc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O[C@@H]1c1ccccc1 169710764 CMQFOJVBXXCIIC-XOBRGWDASA-N 410.495 3.970 0 1 HHAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(Br)c21 169722173 XQWJRSINCQFUSK-HNNXBMFYSA-N 407.195 3.809 0 1 HHAF CN(C)c1ccc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1 164822388 WWBSKENSNQPWJI-UHFFFAOYSA-N 413.481 3.576 0 1 HHAF O=C(Nc1ccc(C(=O)N2CC[C@@]3(CCCCN3)C2)cc1)N1Cc2ccc(F)cc2C1 166970497 JYULRJSRTLWNEE-DEOSSOPVSA-N 422.504 3.732 0 1 HHAF COc1ccccc1-c1nnc(Nc2ccc(C3(C(N)=O)CC3)cc2)c2c1CCC2 1857554695 JTSVHMGHJCNICO-UHFFFAOYSA-N 400.482 3.901 0 1 HHAF Cc1ccc(NC(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)C2CCCCC2)cc1 1857638123 QZFXKVRIJYOMQE-HXUWFJFHSA-N 407.518 3.988 0 1 HHAF COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCC2)cc1 66157300 ZWGQEKKQEUZQBU-UHFFFAOYSA-N 416.543 3.889 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820844 WWDPYQCHZOEWDH-XXKSDHTBSA-N 406.563 3.657 0 1 HHAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)ccc1O 14585242 WNEWYJBAIPHOET-LATRNWQMSA-N 402.443 3.502 0 1 HHAF biogenic CC(C)(C)OC(=O)Nc1ccc(NC(=S)NCc2nc(C3CC3)cnc2N)cc1 71295552 CQAABJLCNKXESD-UHFFFAOYSA-N 414.535 3.770 0 1 HHAF CCN(CC)CCC(=O)c1cccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 40379564 NPXDWWBCXAECOQ-QHCPKHFHSA-N 411.498 3.805 0 1 HHAF COc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2[C@H]1CCCN(C)C1 49089755 UARNXWMBTDEUME-INIZCTEOSA-N 402.491 3.889 0 1 HHAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1 224734457 IQICGENFDKJJOO-UHFFFAOYSA-N 412.490 3.707 0 1 HHAF CCCNc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1Cl 261165829 RWVNNGKHJIIPQL-KBXCAEBGSA-N 417.941 3.807 0 1 HHAF CC[C@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O 43742834 LWPCIFBETYGOOY-BXKTYXQLSA-N 417.509 3.660 0 1 HHAF biogenic CC(C)=CCNC(=N)NCCCCCCN1CCCCCCCCNC(=N)NC1=O 299819623 AVULFYHADONPHM-UHFFFAOYSA-N 421.634 3.517 0 1 HHAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)[C@@H](C)C1 653745752 QSZLJLMXQZMXAD-KRWDZBQOSA-N 400.486 3.539 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 587598440 XTQYSCRIJNEBIR-NFBKMPQASA-N 422.389 3.567 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587043036 OXXXITALSMQYCA-QGZVFWFLSA-N 413.499 3.867 0 1 HHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)nccc4[nH]3)no2)n1 587117340 BUPGCJITXWNSRY-UHFFFAOYSA-N 413.157 3.639 0 1 HHAF C[C@@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576713 HWORZRDKQHLROJ-QPPBQGQZSA-N 403.434 3.819 0 1 HHAF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1Cl 586947055 RMXNHAJYKKHRLM-AWEZNQCLSA-N 405.907 3.649 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 587598049 WBPWBEOXIVGAAF-HDCSMFLBSA-N 423.465 3.979 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O 587417101 JFOXCSSNDDZADE-BBATYDOGSA-N 420.646 3.706 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)[C@@H](C2)C3=O 587432292 VXLYOWRIGMOPAX-JJHGBTGXSA-N 415.445 3.823 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1ccccc1 587862318 JSUAUQRBUYVAOZ-UHFFFAOYSA-N 403.360 3.648 0 1 HHAF O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587608351 KDZCSSAVVAWOIF-CVDCTZTESA-N 402.358 3.610 0 1 HHAF CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 587370055 AULJLTFECWOQRF-LJQANCHMSA-N 401.260 3.567 0 1 HHAF COc1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(C)c1OC 962638716 MHXDTCARSYMSLF-HYBUGGRVSA-N 406.482 3.748 0 1 HHAF Cc1nc(C)c(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 12597218 RTYJIPUUXKJLOK-HNNXBMFYSA-N 421.513 3.987 0 3 HHAF COc1cc(O)c([C@@H](CC(=O)N2CCCCC2)c2ccc3c(c2)OCO3)c(OC)c1 13661370 UKUNCUOWDRNGIV-KRWDZBQOSA-N 413.470 3.673 0 3 HHAF COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(OC)c2c(O)c1OC)COC3=O 14435101 DAJCPKBGJAUYSO-UHFFFAOYSA-N 410.378 3.637 0 1 HHAF biogenic,in-vitro COc1ccc2nc(N3CCC[C@@H]3C(=O)N[C@@H]3CCc4ccccc43)nc(C)c2c1 14989109 IGABNJVJKFRRGC-IFMALSPDSA-N 402.498 3.719 0 1 HHAF CCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 206919283 LMYTZOVTGRVWCF-UHFFFAOYSA-N 406.417 3.943 0 1 HHAF C[C@]1(c2nnnn2-c2ccc(F)cc2)CCCC(=O)N1CCc1c[nH]c2ccccc12 203465271 CLLKXIFGLWLXTJ-HSZRJFAPSA-N 418.476 3.753 0 3 HHAF COc1ccc(N(CCN)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857589342 YJLYVHGDVDBOJD-UHFFFAOYSA-N 412.486 3.502 0 1 HHAF O=C(CCn1ncc2ccccc21)N1CCN(c2cnccc2-c2ccccc2)CC1 1857595467 OENMTYNNCJDMSZ-UHFFFAOYSA-N 411.509 3.837 0 1 HHAF CCCCc1nn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832668 HUUJBXWDCSBHBP-UHFFFAOYSA-N 417.517 3.864 0 1 HHAF CCCCc1ccc(CN)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 27736127 MMQKLPKSEARZCN-UHFFFAOYSA-N 414.513 3.545 0 1 HHAF CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 34307057 QFJACOUEVLILBV-RGDVXHJHSA-N 409.548 3.958 0 1 HHAF O=C1COc2ccc([C@@]3(O)c4ccccc4C(=O)N3Cc3ccc(Cl)cc3)cc2N1 35901761 PRFRFUUDXFZJBY-HSZRJFAPSA-N 420.852 3.520 0 1 HHAF CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1 38468198 IWQZHRNOIZTBSF-UHFFFAOYSA-N 420.351 3.913 0 1 HHAF O=S(=O)(c1ccccc1)N1CCc2cccc(OCCCN3CCCCC3)c2C1 40762888 KDYSCWPJIYCMAX-UHFFFAOYSA-N 414.571 3.688 0 1 HHAF COc1ccccc1-c1ccc(Cn2cc(C(=O)O)c(=O)c3c2CCC[C@@H]3O)cc1 49124585 VYHJCMGLXSKKNJ-FQEVSTJZSA-N 405.450 3.640 0 1 HHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NS(=O)(=O)N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 84725233 BOZUIUFLFXDIRT-POBGKJHXSA-N 424.651 3.999 0 1 HHAF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2c(c1)OCCO2 95588658 QVJUNMIQQVVAII-KRWDZBQOSA-N 401.260 3.918 0 1 HHAF O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95664200 SPHPVMDEMGUCIV-DHIUTWEWSA-N 408.517 3.671 0 1 HHAF Cc1ccc(-n2cc(CNCCN3CCN(C)CC3)c(-c3ccccc3C)n2)c(C)c1 96938967 CMLVFABEZURPSB-UHFFFAOYSA-N 417.601 3.802 0 1 HHAF COc1ccc(Nc2ncc(CNC(C)(C)C)cc2-c2nc(C)nc3[nH]cnc23)cn1 113153608 GVBFIHFTTFXKRJ-UHFFFAOYSA-N 418.505 3.759 0 1 HHAF C[C@@H]1CC[C@H](Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1 118561231 FULUINOHYCLIMM-MJGOQNOKSA-N 413.481 3.888 0 1 HHAF NC1=N[C@](c2cc(NCc3cc(Br)co3)ccc2F)(C(F)F)COC1 145461689 CDLGKJBMNRHHIV-MRXNPFEDSA-N 418.213 3.641 0 1 HHAF CCc1nn(-c2ccccc2)c2nc(C3CCN(c4cccnc4)CC3)nc(O)c12 165297785 VJMFDZNWEVFZTI-UHFFFAOYSA-N 400.486 3.863 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1)N1Cc2ccccc2C1 166690547 QWMPFFGSUUDGLD-UHFFFAOYSA-N 404.514 3.593 0 1 HHAF Cc1ccc(C(=O)NCc2nccs2)cc1Nc1nccc(-c2cccnc2)n1 169699779 BMFLLQGNVGQQTP-UHFFFAOYSA-N 402.483 3.977 0 1 HHAF CN1C(=O)[C@@]2(N=C1N)c1cc(CCC3CC3)ccc1OC21CCc2ccccc2CC1 201252693 RSUVVFIJINCLKH-SANMLTNESA-N 415.537 3.721 0 1 HHAF COc1cccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCOCC2)c1 201539561 RVNGLOLCSRTOAG-UHFFFAOYSA-N 418.902 3.566 0 1 HHAF CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)c2ccccc21 261135922 MBHKGHDNJWASRA-SVFBPWRDSA-N 424.589 3.545 0 1 HHAF Cc1cc(Cn2cc(-c3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)cn2)no1 263620448 FZRLFVHIDOFKIN-UHFFFAOYSA-N 408.853 3.528 0 1 HHAF in-vitro CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 586939539 VXFMCXGYXBUBQO-HNNXBMFYSA-N 407.879 3.590 0 1 HHAF Sc1nc(S)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586984770 PKBIEOLGIMYGOA-GFCCVEGCSA-N 422.377 3.878 0 1 HHAF COc1cc(OC)c2[nH]c([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 587111415 CFUZRKRAAMGOKM-IBGZPJMESA-N 407.392 3.999 0 1 HHAF N=C(N)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587112773 CTRTZSARXUXEOM-UHFFFAOYSA-N 407.421 3.738 0 1 HHAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cnnc(O)c4[nH]3)nc2n1 587114475 AVBLNEYWHSPTCA-UHFFFAOYSA-N 409.397 3.524 0 1 HHAF COC(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1OC 587201189 JKEGYBCSKOPJJZ-UHFFFAOYSA-N 405.495 3.939 0 1 HHAF N[C@@H]1CC[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C1 587246370 HGFLJZDFYRTSNT-WCQYABFASA-N 424.448 3.977 0 1 HHAF CS(=O)(=O)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361084 RFNWNWQVZSHMDS-PBEJRMEISA-N 404.459 3.616 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(CC(=O)OCC)CC2=O 587468284 DKMAZRXESXMXBP-QFIPXVFZSA-N 421.490 3.527 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3ccccn3c2=O)N1 587704582 JPTYKHSQZGIHEF-FVMDXXJSSA-N 422.685 3.873 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C2CCOCC2)N1 587755110 OESPBSBMEDQMLF-BLVKFPJESA-N 408.315 3.526 0 1 HHAF CCOCCOCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587779229 WFPJJDRIYBVYQV-UHFFFAOYSA-N 409.895 3.570 0 1 HHAF CC(C)(C)OC(=O)[C@@]1(C2=COCC2)NC2(CC2)Cc2ccc(Br)cc21 961616924 SENWKWJCIMUJQV-FQEVSTJZSA-N 406.320 3.969 0 1 HHAF Cc1c(O)ccc2c1[C@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963557954 YTSLNKSPVOEPML-SAHWJRBASA-N 418.534 3.600 0 1 HHAF C=CC(=O)N1CC[C@H](n2cc(-c3cc4cccc(OC)c4s3)c3c(N)ncnc32)C1 1857608561 QWGUTUKCPRERRM-AWEZNQCLSA-N 419.510 3.863 0 1 HHAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c3c(oc12)[C@H](O)[C@H](O)CC3 2356773916 MICREMKKPHNKKJ-PBOBAFEZSA-N 411.498 3.931 0 1 HHAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C1 55740492 NTCFWGCSPDGATH-SFHVURJKSA-N 415.534 3.898 0 3 HHAF COc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N2CCN(c3ccncc3)CC2)cc1 95599209 KDISQWSGSGZUAQ-QHCPKHFHSA-N 420.488 3.731 0 3 HHAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(Cl)cc1 199424301 YOBXLTLSMQOEJZ-FQEVSTJZSA-N 413.905 3.928 0 3 HHAF CCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n(CC(=O)N3CCCCC3)n2)cc1 1361629 FAQNUXVWLDWEEL-UHFFFAOYSA-N 417.513 3.973 0 3 HHAF CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccccc4)c32)cc1 6916263 AIUSSIZLZAUOAR-UHFFFAOYSA-N 414.509 3.683 0 1 HHAF CC(C)c1ccc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)cc1 8672422 PQFOACBWSDJNEU-AWEZNQCLSA-N 404.488 3.697 0 3 HHAF O=C(c1ccc(OCCCN2CCC(Cc3c[nH]cn3)CC2)cc1)N1CCCCC1 28569535 IYSCXIDLCZLYNI-UHFFFAOYSA-N 410.562 3.759 0 1 HHAF CCN(CC)C(=O)c1ccc([C@H](c2ccc3cccnc3c2)N2CCNCC2)cc1 22939832 BAFDHSPBWFCCGG-XMMPIXPASA-N 402.542 3.711 0 1 HHAF CN(C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C#N)c1)c1ccccc1 8635971 GYGMIWBOBJSILM-SXWKCWPCSA-N 403.530 3.527 0 1 HHAF biogenic COC(=O)[C@H]1CC2=C(CN1Cc1ccc(F)cc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356845734 LWZZQFPJBGPPNQ-HXUWFJFHSA-N 414.888 3.663 0 1 HHAF CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)OC1(C)C 5712020 BNSRVXDDPIAAQG-RTWAWAEBSA-N 408.406 3.794 0 1 HHAF biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H]1CO[C@@H]2[C@@H]1C 85836819 XJUOGJHZZOCIGO-RGIROJJOSA-N 416.470 3.982 0 1 HHAF biogenic,in-vitro CCOc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCCCOC)n2)cc1 82195935 SVMIKLVVSIPMLB-KRWDZBQOSA-N 423.604 3.895 0 1 HHAF CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)[C@@H](C)[C@@H](C)NC5=O)cnc21 198646604 WQNVQJMMIKDJGT-KGLIPLIRSA-N 416.485 3.912 0 1 HHAF Cn1nc(Nc2cccc([C@@]3(C)COCC(N)=N3)c2)c2ccc(Br)cc21 147396842 ULLQWIFBVSWJHE-LJQANCHMSA-N 414.307 3.682 0 1 HHAF COc1ccc(Sc2ccc(OC)cc2N2C[C@H](C)N(CC(=O)O)C[C@H]2C)cc1 253908077 XUKXXBVOWRNHFL-JKSUJKDBSA-N 416.543 3.839 0 1 HHAF COc1ccc2c(OCCn3c(=O)oc4cc(-c5cnn(C)c5)ccc43)ccnc2c1 653727800 GDIMPHBFNDIVFX-UHFFFAOYSA-N 416.437 3.631 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc(N)c2)N1 587746288 MCVFETIUBYLVFZ-WLRWDXFRSA-N 407.283 3.813 0 1 HHAF CCOC(=O)[C@H](CC)[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351767 UZDRYIVLNNXGTQ-NOXFTYBFSA-N 416.445 3.865 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N(C)C)N1 587744433 ZXDOSOMYDVOXEN-ODXCJYRJSA-N 421.310 3.679 0 1 HHAF Fc1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 587186767 SOEAEOCRMPGUJL-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF COc1ccc2[nH]c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587587832 PXJIHRLSDRRYCQ-OFNKIYASSA-N 415.401 3.945 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(CCC(=O)O)c(CC(=O)c3ccc(Cl)cc3)c2c1 587648807 HVQVLLKCYFHZQB-UHFFFAOYSA-N 419.886 3.667 0 1 HHAF O=C1C[C@H](c2ccccc2OCCN2CCOCC2)Oc2c1ccc1c2CCCC1 587518507 JUULTXAHNHVGSG-XMMPIXPASA-N 407.510 3.983 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C 587486844 MNMOUSPUMPBMJJ-LTQWCFAGSA-N 417.502 3.847 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cn3cc(Cl)cc(Cl)c3n2)N1 963231908 RYUQKAQYDVAMRE-SJLPKXTDSA-N 413.264 3.878 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(-c2cnn(C)c2)cc2ccccn12 963613271 UVLUYYQHEOVOMZ-NPMXOYFQSA-N 402.498 3.981 0 1 HHAF CN(CCN[C@H](CO)c1cc(Cl)cc(Cl)c1)c1nc2ccc(Cl)nc2[nH]1 1772602629 QFJMTYDIRFODPC-CQSZACIVSA-N 414.724 3.678 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCCC23CCNCC3)cc1)N1Cc2ccccc2C1 165717899 WEHONEJZVFTMNY-UHFFFAOYSA-N 404.514 3.593 0 1 HHAF CCOCC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167162078 KWDJPOHCLULNRQ-UHFFFAOYSA-N 405.498 3.887 0 1 HHAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 209509710 IBHDWSKLAYZZMC-CQSZACIVSA-N 422.319 3.592 0 1 HHAF C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 1857571235 YRPPQMKMQZIBLY-IBGZPJMESA-N 422.225 3.627 0 1 HHAF NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1 1857602504 ZBUHFMACYYDBSL-UHFFFAOYSA-N 416.886 3.961 0 1 HHAF C[C@H](Nc1ncc(F)c(N2CCOC2=O)n1)c1cn(-c2ccc(Cl)cc2)cn1 1857639101 RQSPPPNHANMCHV-NSHDSACASA-N 402.817 3.585 0 1 HHAF CC(=O)Nc1ccc(NC(=O)[C@@H](C)NC(=O)CCSc2ccccc2Cl)cc1 1857760471 WLRYCHCFQZJCFX-CYBMUJFWSA-N 419.934 3.924 0 1 HHAF COC(=O)COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 1486152 GBDSYNHPPHBHMR-LIRRHRJNSA-N 416.905 3.627 0 1 HHAF COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)c1 4052866 QOJSVWMGYBSFEF-GMAHTHKFSA-N 420.465 3.748 0 1 HHAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 4546767 DKMGXGYXVWRENY-IPELMVKDSA-N 402.466 3.696 0 1 HHAF COC(=O)[C@H]1ON2O[C@H](O[C@H]3CCCC[C@@H]3c3ccccc3)C[C@@H]3CC[C@H]1[C@@]32C 5923748 XGCDSOUVOLRBLD-SXVPCSTFSA-N 401.503 3.965 0 1 HHAF CCn1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)nc21 13835420 NNAOBZFDMGBSMB-UHFFFAOYSA-N 407.518 3.544 0 1 HHAF O=C(O)C[C@]1(O)CCC[C@H](/C=C/[C@@](O)(CCCCc2ccccc2)CC(=O)O)C1 27627249 IADABNYTJMUSSX-BNUSIGLESA-N 404.503 3.557 0 1 HHAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(OC)c1 45211195 WONRPDPFXYVGSU-SCLBCKFNSA-N 411.420 3.755 0 1 HHAF Clc1cnc(N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)nc1 45352297 GBRGSWIULNXBMV-UHFFFAOYSA-N 418.932 3.850 0 1 HHAF CCc1ccc(C(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1 71280501 XXYWIJVLUQUVNG-UHFFFAOYSA-N 401.470 3.625 0 1 HHAF CC(C)NCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181604 XILANZIGJRDZSB-AWEZNQCLSA-N 409.374 3.893 0 1 HHAF O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95604545 WBKNPNMAUZSOIK-YTFSRNRJSA-N 404.510 3.583 0 1 HHAF C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cc(F)cc(Cl)c3)ccc1O2 103253349 KANXYSRWEZDICF-JBACZVJFSA-N 402.853 3.874 0 1 HHAF CCS(=O)(=O)Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 114336876 CNFJHJMGGNMYDX-HXUWFJFHSA-N 410.543 3.683 0 1 HHAF COc1cccc(CNC(=O)c2ccc(NC(=O)N3Cc4cccnc4C3)cc2)c1 166940835 ZQBDYMMYUYPVDT-UHFFFAOYSA-N 402.454 3.568 0 1 HHAF FC(F)(F)c1nc(Cl)[nH]c2nc(C3CCN(c4nccnc4Cl)CC3)nc1-2 587084688 GMRHUVXGMSUGPR-UHFFFAOYSA-N 418.210 3.804 0 1 HHAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 587153954 GCJGSZUTDFLZGH-UHFFFAOYSA-N 403.826 3.613 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)c(Br)c2[nH]1 587194110 LSPVLZYZRRUGKV-GFCCVEGCSA-N 415.307 3.982 0 1 HHAF CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535206 JMSPOCDRAJNTQD-DEOSSOPVSA-N 408.450 3.760 0 1 HHAF CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587755519 ASVYPYDGRAYTHB-ASNKJTAVSA-N 423.326 3.633 0 1 HHAF COc1ccccc1C[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807036 LKBAXDCNVLCJIX-JEOXALJRSA-N 408.267 3.654 0 1 HHAF O=S(=O)(c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1)N1CCOCC1 587970081 YKSJZSNHPOMTLU-DHZHZOJOSA-N 419.506 3.907 0 1 HHAF Cn1cccc1CN1CCc2sccc2C12CCN(C(=O)c1cccnc1)CC2 962378749 ZMWHWAIQQQTDJU-UHFFFAOYSA-N 406.555 3.671 0 1 HHAF CCN(CC)CCN1C(=O)[C@@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc21 963113708 ZMVVIGPTHWWFMP-NBGIEHNGSA-N 407.533 3.778 0 1 HHAF CN1CC[C@@H](c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)CC1=O 1857556534 IVIKQHWORKDTET-LJQANCHMSA-N 421.497 3.511 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356290683 YXMODWRGEWQFAS-ZVDOUQERSA-N 400.567 3.650 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2[C@@H](O)C[C@@]1(C)O 2356620815 FPTHFNAIWCRDNZ-PSGFMCPASA-N 420.590 3.910 0 1 HHAF CCN1CCc2c(sc(NC(=O)c3cc4ccccc4cc3OC)c2C(N)=O)C1 4087107 BTGFLPFKRDZJFI-UHFFFAOYSA-N 409.511 3.639 0 3 HHAF CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 2487720 PRPWXCKFVBUPJT-AZUAARDMSA-N 402.535 3.846 0 1 HHAF COC(=O)C1=C(O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)N=C1C 9057753 WIMTZOKKIRWFCL-LDADJPATSA-N 422.437 3.513 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]4C3=O)[C@@H]3C[C@H]53)c2)cc1 13618178 ZHDUETSVHPQFSE-NALHQMNBSA-N 414.461 3.505 0 1 HHAF COc1ccc(C(=O)O[C@@H](c2ccc(OC)c(OC)c2)[C@H](C)C(C)=O)cc1OC 15119359 AGVOQRRWXUMWQJ-LRTDBIEQSA-N 402.443 3.844 0 1 HHAF biogenic COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CC(C)C)CC(=O)N21 15956258 SGMWLTUYJPCZHQ-HYBUGGRVSA-N 417.509 3.517 0 1 HHAF biogenic CN1C(=O)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 27982280 STGKTNCRMXDYKG-VWLOTQADSA-N 422.488 3.667 0 1 HHAF COc1ccc(-c2nc(C(=O)N3CCCC3)c(CN)o2)c2ccc(C(F)(F)F)nc12 28950230 GDIRJTNQDBKWFH-UHFFFAOYSA-N 420.391 3.612 0 1 HHAF O=C(O)Cn1c2c(c3cc(C(F)(F)F)ccc31)CN(C(=O)c1ccccc1)CC2 38253225 ICSJJGLAKDSPMF-UHFFFAOYSA-N 402.372 3.943 0 1 HHAF CSc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCC(C)CC2)c1 43527117 PSKDLUKUXSJGJP-SVFBPWRDSA-N 416.635 3.972 0 1 HHAF biogenic C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C 45323967 YVSLPYQTEBIJSI-KKSFZXQISA-N 410.539 3.623 0 1 HHAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 72175860 PEUXWSARWNDXOQ-OXJNMPFZSA-N 418.946 3.809 0 1 HHAF O[C@H](c1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1CN1CCOCC1 82078459 UYJUTQAFBVENSO-SFHVURJKSA-N 416.934 3.849 0 1 HHAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O 82187579 WPMAGQFWNFAXLG-UHFFFAOYSA-N 424.524 3.585 0 1 HHAF O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F 95893320 ZOWVXJIKOIIXAG-RJGXRXQPSA-N 422.500 3.722 0 1 HHAF C[C@@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 101120197 NPVRPJQNRSJGJS-SQFLVMJDSA-N 404.554 3.872 0 1 HHAF COc1ccc([C@H]2C=C(c3ccc(O)c(C)c3)NN2C(=O)c2ccncc2)cc1OC 103200452 CRGUVXAYMFUHNC-HXUWFJFHSA-N 417.465 3.856 0 1 HHAF COc1ccc(C(=O)/N=c2\scc(-c3cc(OC)c(OC)c(OC)c3)n2C)cc1 207463833 SFMXDPYCGYGGRS-DQRAZIAOSA-N 414.483 3.529 0 1 HHAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(Cl)cc1Cl 221677348 CEORPLNBANSUEU-ATEUNZGCSA-N 415.252 3.802 0 1 HHAF CN1CCC(c2cc3c(-c4cccc(NC[C@@H]5CCN(C)C5)n4)ccnc3[nH]2)CC1 226089679 DPQKVYICRPBZMP-KRWDZBQOSA-N 404.562 3.798 0 1 HHAF O=C1[C@H]2Cc3ccc(OCc4cccc(Cl)c4)cc3CN2C(=O)CN1C1CCCC1 473096125 YUGREERTCAAKQP-JOCHJYFZSA-N 424.928 3.957 0 1 HHAF Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 473170663 GMNHHZMFPMILPF-SQGPQFPESA-N 419.485 3.524 0 1 HHAF Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 473171529 ZNGHVNJLGWUYEA-AOIWGVFYSA-N 404.470 3.821 0 1 HHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586882138 KQOYNRHFXFMFOP-UHFFFAOYSA-N 424.400 3.785 0 1 HHAF COc1cnc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1Cl 587064161 CABWYGMJFAOGPV-UHFFFAOYSA-N 421.025 3.940 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132736 ULEOEZRHUZECBN-ZDUSSCGKSA-N 409.433 3.638 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(F)c2[nH]1 587194890 ZFUKXDGILXZASL-GFCCVEGCSA-N 415.307 3.982 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 587386451 JEERGMZDRWBYFL-OXJNMPFZSA-N 411.502 3.690 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cc(I)ccc1N)[C@@H](C2)C3=O 587427668 KJOWWXNRQBVCMO-SCLBCKFNSA-N 421.234 3.545 0 1 HHAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436804 BDWXIPUVVXVPFI-IVZQSRNASA-N 407.422 3.851 0 1 HHAF COC(=O)/C=C/c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592177 IRIXMHDIGPJFLJ-JRMUFZSISA-N 418.401 3.987 0 1 HHAF COC(=O)COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793548 NOEQKNPNCVGCCW-FKIZINRSSA-N 422.294 3.938 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 587843806 USOCSEYIUAWQOX-APBUJDDRSA-N 404.235 3.727 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(C(=O)N2CCCC2)cn1 587864000 VMNQWIAPCJWOAC-UHFFFAOYSA-N 417.391 3.593 0 1 HHAF CN1C(=O)C[C@H]2CN[C@](c3cccc(Cl)c3)(c3cccnc3N)c3cccc1c32 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LRESELHEXSUQGE-UHFFFAOYSA-N 420.448 3.613 0 1 HHAF O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 64549001 RIJVPDIAXOCOGM-UHFFFAOYSA-N 422.464 3.799 0 1 HHAF Cc1ccc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)nc1 71341500 RWXDSWAVXKMDMF-UHFFFAOYSA-N 413.587 3.927 0 1 HHAF CC(C)C(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72184466 RSMMDEAKBXDVSH-LJQANCHMSA-N 406.452 3.821 0 1 HHAF O=C(Nc1cnn(CC2CCCCC2)c1)c1ccc2cc3n(c2c1)CCCNC3=O 82158244 YVUHNKZPGGBYDH-UHFFFAOYSA-N 405.502 3.804 0 1 HHAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl 95555047 QULLOTSYPAOTIW-OAHLLOKOSA-N 407.923 3.836 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 96169522 NYMDZLNOQPHCMN-CJNGLKHVSA-N 414.424 3.848 0 1 HHAF C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ncccn1 96175601 NHPFQONZHFJUNT-IAGOWNOFSA-N 406.461 3.997 0 1 HHAF CCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21 101449253 BPNVFLUGVLDDOP-UHFFFAOYSA-N 402.498 3.859 0 1 HHAF CCCCN1CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)C[C@H]3CCC[C@H]3N2C1 103204532 DFEOAPLOJSLAQJ-IAGOWNOFSA-N 405.930 3.540 0 1 HHAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccc(C)cc4)C[C@@H]3C2)n1 116826369 FOQWGXBQBIJWCV-WOJBJXKFSA-N 414.509 3.669 0 1 HHAF CN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)n4)c3)ccc21 221049909 NSXWOMUYILNYRX-UHFFFAOYSA-N 406.873 3.887 0 1 HHAF CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(C(F)(F)F)ncc3n1C)C2 299826986 VGJDJTDQWBICRY-UHFFFAOYSA-N 416.447 3.852 0 1 HHAF COc1cc(Br)c([C@H](N)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC 586977215 ZBVVPOUOBWPGAX-LBPRGKRZSA-N 411.687 3.748 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CCCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587435508 GDNHDFOLQSGQDS-MHECFPHRSA-N 405.450 3.668 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c4nsnc14)[C@@H](C2)C3=O 587451133 IGUTUTXORWOGRR-DYZYQPBXSA-N 403.257 3.951 0 1 HHAF Cn1ncc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540296 MQNXYBQCJOQUQJ-RDTXWAMCSA-N 401.216 3.591 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580429 HZBWUHBHIAXECP-UTSWGJQUSA-N 419.481 3.675 0 1 HHAF CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593448 DJQAIXWSLRUUDZ-URXFXBBRSA-N 420.417 3.908 0 1 HHAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587605537 AVNTXEHLJMQEDV-UZPHGZDFSA-N 422.433 3.573 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)c1ccccc12 587614887 VPNBBESPPXWOQG-OFNKIYASSA-N 422.458 3.817 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3cccn3C)c(=O)c3ccccc23)cc1OCC 587668623 DCYBBCXSHMKKRY-UHFFFAOYSA-N 417.465 3.888 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2nccn2C)N1 587752135 BXVBTWBWKUVJHB-BLVKFPJESA-N 401.283 3.543 0 1 HHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(CN5CCOCC5)cc4[nH]1)(C3)C2 587950441 LSEAUTMGGUMJQQ-LHHMWQFHSA-N 409.530 3.549 0 1 HHAF COC(=O)c1sc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc1C1CC1 653899390 PVEOEHSQZIPISA-UHFFFAOYSA-N 413.543 3.700 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963487093 BMUPQZMVRPGYQK-YMGHSFPGSA-N 423.509 3.642 0 1 HHAF COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1OCCN1CCOCC1 1857608263 BTEDAZJXTAYRFO-PDGQHHTCSA-N 414.889 3.552 0 1 HHAF COc1cc(O)c([C@H](CC(=O)N2CCCCC2)c2ccc3c(c2)OCO3)c(OC)c1 13661373 UKUNCUOWDRNGIV-QGZVFWFLSA-N 413.470 3.673 0 3 HHAF COc1ccc([C@@H]2N(c3cc(Cl)ccc3OC)C(=O)[C@@H]3CCCN32)c(OC)c1 250381559 LTMBNUJBWYAUOK-JXFKEZNVSA-N 402.878 3.876 0 3 HHAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 769597 XBZJNGUWOCVRKP-LADGPHEKSA-N 421.541 3.827 0 1 HHAF CCc1ccc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2128346 FSHCUIGWBOZMEV-FQRUVTKNSA-N 413.521 3.924 0 1 HHAF biogenic COc1ccc(/C=C/C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)cc1 11788937 RQXDNAFXJVUSDW-MTCRFPMVSA-N 421.884 3.939 0 1 HHAF COc1cc2[nH]c(-c3cccc(N4CCOCC4)c3)cc(=O)c2cc1-c1cnco1 13487596 MHSJUASURMTZIN-UHFFFAOYSA-N 403.438 3.695 0 1 HHAF O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C[C@@H]2CCOC2)CC1 15065729 NMLGDSJTBBTEGV-HNNXBMFYSA-N 403.914 3.854 0 1 HHAF Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2N)cc1 26384462 MLFQMTSVMZZOOY-UHFFFAOYSA-N 419.510 3.813 0 1 HHAF CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C(C)(C)O2 29202866 GKHWKVWIKWMUCS-ZBFHGGJFSA-N 413.417 3.973 0 1 HHAF COC(=O)CCN[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40764286 FDEDDFRZZPKMAF-VWLOTQADSA-N 400.478 3.696 0 1 HHAF CCOC(=O)n1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21 43062431 WRBWZQZTUXNLPO-UHFFFAOYSA-N 413.426 3.911 0 1 HHAF Oc1nnc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)s1 45350316 VDMFECAVHOPWSU-UHFFFAOYSA-N 423.420 3.767 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(CC)c3c2)c1F 72180375 FDHMFZKANMFKKN-UHFFFAOYSA-N 422.457 3.808 0 1 HHAF CCOC(=O)C(=CNc1ccc2ncnc(Nc3ccc(O)cc3)c2c1)C(=O)OCC 103120549 YLAVCDUJLAPONQ-UHFFFAOYSA-N 422.441 3.501 0 1 HHAF CNC(=O)C1CCC(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)CC1 114714734 RENSAPHALUNYAC-UHFFFAOYSA-N 402.564 3.946 0 1 HHAF CCCC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@]21[C@H]43 145314800 VDGDSNQYFYXHGB-LBYQZJAHSA-N 420.546 3.795 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC3(CC2)COC3)cc1)N1Cc2ccc(F)cc2C1 166497839 QGVFSUWCDOSJPZ-UHFFFAOYSA-N 409.461 3.626 0 1 HHAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](C[C@@H](N5CC5)[C@@H]4C(C)=O)[C@@H]3CC[C@@H]2C1 169332106 ZFVBYRDTMKLTPA-XIKWUWNOSA-N 415.574 3.639 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C)cc1 169350247 RGXHYVLKPIMSOL-GEOVXXPPSA-N 410.510 3.979 0 1 HHAF CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 169370847 QFJACOUEVLILBV-OKSFIJPUSA-N 409.548 3.958 0 1 HHAF O=c1n(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)cc(O)n1C1CC1 169729168 WVZDZANMMHTNGL-UHFFFAOYSA-N 422.504 3.926 0 1 HHAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(C(N)=O)c3)nn3ccnc23)n1 207342588 CFXIADKHNMLFNX-HNNXBMFYSA-N 413.485 3.623 0 1 HHAF CN(C)CCNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224549307 UGQUJDRUEGNOMW-UHFFFAOYSA-N 423.496 3.688 0 1 HHAF CC1=CC[C@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CC/C(=C/CO)CO 238735403 CCNLJIUCOXTJDA-XOKSGIBCSA-N 422.562 3.863 0 1 HHAF COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 261185109 XEBWPMWXHPVINJ-UILWBTOOSA-N 402.535 3.904 0 1 HHAF O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@H]4N2CCCCNc1ccnc2cc(Cl)ccc12 299839892 TXOTZJORBMAIBE-ONKUODAKSA-N 407.945 3.841 0 1 HHAF Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCO3)cc1 299840659 YGFVMPRTUQKSCQ-CQSZACIVSA-N 412.389 3.778 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2cc(Br)cnc2[nH]1)C(F)(F)F 587093331 SNKNNGHJNMZIMC-HNNXBMFYSA-N 415.213 3.884 0 1 HHAF CCOC(=O)c1cnn(-c2ccc(-c3nc4c(O)nccc4[nH]3)cc2)c1C(F)(F)F 587115526 YUTKZEWPJZRFLG-UHFFFAOYSA-N 417.347 3.712 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1)C(F)(F)F 587127037 LATBRDBXZLOOGE-UHFFFAOYSA-N 411.283 3.817 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375931 WCDFXWMJFBJANG-JLMWRMLUSA-N 416.470 3.945 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc4[nH]c(=N)[nH]c4c1)[C@@H](C2)C3=O 587428832 QONPAKDKPOZBJL-XDHUDOTRSA-N 415.424 3.814 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(SCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587451666 LJPIVPDJFPRMAQ-QKKBWIMNSA-N 400.452 3.543 0 1 HHAF COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587588399 QIIJLRUPEMYLTH-REWPJTCUSA-N 421.405 3.518 0 1 HHAF C[C@@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611142 FNHLUDHCEWBICM-GCJKJVERSA-N 406.463 3.925 0 1 HHAF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 587638986 MBSSRTZQSFUSFJ-LBPRGKRZSA-N 402.447 3.767 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3cc(C)[nH]n3)c(=O)c3ccccc23)cc1OCC 587670923 VVJNTBRRXCYKJD-UHFFFAOYSA-N 418.453 3.581 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 587797852 XUTNDAQZELGLOQ-HDZZMESHSA-N 419.294 3.568 0 1 HHAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(=O)n2ncnc12 653720470 LSVGIQPOZIMKHQ-QLOAFGCXSA-N 411.550 3.560 0 1 HHAF CN1C(=O)C[C@H]2CN[C@@](C)(COc3ccccc3Br)c3cccc1c32 963018613 DKNIXYSVMBRGOY-RBZFPXEDSA-N 401.304 3.797 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCc1cccnc1)CC3 1772607484 OIMCNUGCMIZFKI-SFHVURJKSA-N 402.523 3.548 0 1 HHAF C[C@@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C[C@@H]1O 1772636483 VOCREZZJJXIVFU-XIKOKIGWSA-N 417.387 3.894 0 1 HHAF CCOc1ccc(C)cc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1 1772639273 XJJSVHDKBXHBLI-GJZGRUSLSA-N 408.424 3.966 0 1 HHAF COc1cccc2nc(C[C@@H]3CN(Cc4cccc(F)c4)CC[C@H]3CC(=O)O)[nH]c12 2356302703 QQBBTDPAOXZWDO-DLBZAZTESA-N 411.477 3.866 0 1 HHAF Cn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(COc2ccc(F)cc2F)on1 13596859 HAMIFSHPDYZIET-KRWDZBQOSA-N 402.401 3.633 0 3 HHAF Cc1c([C@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 36389235 YKTVPJPRINESLJ-UPJWGTAASA-N 418.486 3.657 0 3 HHAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N 4036929 QZEZCFMOXLGNLG-FYYLOGMGSA-N 401.466 3.686 0 1 HHAF Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc12 4826798 TVSLXXXEIRKPLY-AWEZNQCLSA-N 416.499 3.685 0 1 HHAF O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@@H]12 25223943 SJHOCHXYZAQPGS-AFXVXQJMSA-N 404.466 3.713 0 1 HHAF biogenic COC(=O)N1CC[C@@](Cc2ccncc2)(c2ccc(OC)c(OC3CCCC3)c2)C1=O 27330163 ZIFBKZGTLPKWNH-XMMPIXPASA-N 424.497 3.891 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(NC(C)=O)cc1 27864992 OPNHFPLCEIHYOS-OAQYLSRUSA-N 409.486 3.908 0 1 HHAF O=C(Oc1ccc(Cl)cc1OC(=O)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1 49087786 QWILHJZDONDCHS-UHFFFAOYSA-N 416.769 3.601 0 1 HHAF Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 96271798 ZHQSYMDNGLAEDA-UHFFFAOYSA-N 412.287 3.544 0 1 HHAF CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 96272184 CZEQXLMAKRKHJC-OFNKIYASSA-N 420.981 3.727 0 1 HHAF in-vitro CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cc(OC)c(OC)c(OC)c1 104070170 CXLQDEQXURULBN-OXMAITBSSA-N 419.474 3.914 0 1 HHAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(C)on2)cc(-c2ccc(C)cc2)c1 142625583 DGVBLSHBVRXRRI-OAHLLOKOSA-N 407.470 3.975 0 1 HHAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@H]3[C@H]1C5 169289863 KNIGTFRSJKNFFO-ISPMQNJLSA-N 403.522 3.689 0 1 HHAF COc1cc(OC)cc(-c2noc(C3CCN(C(=O)NCc4ccccc4)CC3)n2)c1 299830784 OSIRHYVWFUCXPC-UHFFFAOYSA-N 422.485 3.843 0 1 HHAF O=C(O)c1cccnc1SCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586967427 WVSGQXPVYQRSBX-UHFFFAOYSA-N 404.320 3.998 0 1 HHAF CC(=O)N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586984814 JBKZORVBPMTVCQ-LBPRGKRZSA-N 411.662 3.933 0 1 HHAF CN1CCN(c2ccc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3c2)CC1 587005956 BRSFEHSPXMGAOV-UHFFFAOYSA-N 410.319 3.997 0 1 HHAF Cc1nc2[nH]c(C(F)(Br)Br)nc2cc1Br 587088041 IDDFEXKSPCIOAB-UHFFFAOYSA-N 401.859 3.898 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(F)c2[nH]1 587193916 IKNDGEFYZPWXRF-LBPRGKRZSA-N 415.307 3.982 0 1 HHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587233009 HNFZWFFWKPTXJC-GJZGRUSLSA-N 424.505 3.783 0 1 HHAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 587329598 CYZWUQNUXTWKRE-OFNKIYASSA-N 407.372 3.901 0 1 HHAF COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623619 JYIPZLIMGXRZRV-MRXNPFEDSA-N 414.219 3.849 0 1 HHAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O 587789860 DBYYGXNHQRHGMU-YPMLDQLKSA-N 424.266 3.684 0 1 HHAF CC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962637266 RBGRUTFDTFFBSZ-OPURJYLOSA-N 407.388 3.653 0 1 HHAF CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO 13657333 LHBMGWMCTCNCGO-MBOZVWFJSA-N 413.436 3.733 0 3 HHAF Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 61923160 ZOEXYEMQSFTACS-DNVJHFABSA-N 408.546 3.920 0 3 HHAF COc1cc2ncnc(N3CC[C@@H](Oc4ccc5cccnc5c4)C3)c2cc1OC 14956500 KFGXEXAVKVJZCX-QGZVFWFLSA-N 402.454 3.853 0 1 HHAF O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1SCCS1 28259516 KNIHQNCUSQOEJP-IRXDYDNUSA-N 406.573 3.585 0 1 HHAF O=C1C(=O)N(Cc2ccc(F)cc2Cl)c2ccc(I)cc21 28460513 ZRTPFLLKDJDNGZ-UHFFFAOYSA-N 415.589 3.813 0 1 HHAF O=S(=O)(c1ccccc1)N1CCc2cc(OCCCN3CCCCC3)ccc2C1 36188030 HAOWXJHLNMKAFU-UHFFFAOYSA-N 414.571 3.688 0 1 HHAF CCCCOC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71294289 FQMLLSSXUJLUMX-UHFFFAOYSA-N 408.915 3.547 0 1 HHAF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)sc1C 82164543 UFDCBCBSWOYQIM-HNNXBMFYSA-N 411.506 3.725 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@@H]1N2C/C=C/I 100791891 CZPZQMXAJDWBFP-IFNKJOSFSA-N 411.283 3.745 0 1 HHAF CC(C)C[C@H](CNC(=O)CCC(=O)NC12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2)CC(=O)O 100835724 KMXHNNPXBJMHJZ-NZFVDLNESA-N 420.594 3.885 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)NCC2CC2)n2c1COCC2)c1ccccc1Cl 146148005 LVXNZCOXEJIFNF-GOSISDBHSA-N 415.921 3.693 0 1 HHAF COc1ccc(C)cc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167275678 CHSUPLZHPCZQES-UHFFFAOYSA-N 403.482 3.809 0 1 HHAF CC(C)(C)C1CCC(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)CC1 169710055 GOISTNHYSIHLLD-UHFFFAOYSA-N 407.562 3.956 0 1 HHAF O=C(O)c1ccc(N2C[C@H]3CN(C(=O)NCc4ccc(Cl)cc4Cl)C[C@@H]32)cc1 205436368 HXTLAORWBSDYFO-KDOFPFPSSA-N 420.296 3.722 0 1 HHAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H](C)N(S(C)(=O)=O)CC3)cc12 226079555 PISSTPZYODNWFP-ZDUSSCGKSA-N 415.490 3.815 0 1 HHAF COC(=O)c1ccc(/C=C(/C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1 473088070 HWVSKAVQACAYSW-HMMYKYKNSA-N 412.445 3.999 0 1 HHAF Cc1cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124821 MEIIQBZEXLSVRL-UHFFFAOYSA-N 417.340 3.637 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1NC(=O)c3c(-c4ccccc4)csc3N1)O2 587415956 ZMUDLRPVCWDUHH-XLIONFOSSA-N 405.479 3.821 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422314 SZPIGXKUFMXUBH-QRWLVFNGSA-N 406.356 3.920 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1nc4c(cc1C)N(C(=O)C(C)(C)C)CCO4)[C@@H](C2)C3=O 587445634 XERXEKMPQFHGKI-BTYIYWSLSA-N 422.481 3.659 0 1 HHAF CC(C)(C)OC(=O)N1CC(F)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587554947 JXXNTJIUPGZGAR-LPHOPBHVSA-N 415.417 3.681 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 587850368 POSQAVGJUVKLCK-KZULUSFZSA-N 412.324 3.812 0 1 HHAF CON(C)C(=O)[C@@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653797749 FVVHUTWGRYEXJN-DLBZAZTESA-N 406.404 3.759 0 1 HHAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962971169 HCTUHRYAKYIZDQ-CJAGKMTESA-N 415.864 3.802 0 1 HHAF CC1(C)[C@@H](CNc2ccc(F)cc2OC(F)F)[C@H]1c1ccc(S(N)(=O)=O)cc1 1857589404 JSBWHJBQMHGLNS-WMLDXEAASA-N 414.449 3.926 0 1 HHAF CCCn1nc(C)c2c1NC(=O)[C@@H](NC(=O)c1cccc(C)c1)[C@H]2c1ccc(F)cc1 1857617017 ICUSOEKUKOQPOR-SFTDATJTSA-N 420.488 3.932 0 1 HHAF O=C(c1c[nH]c2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 2356427704 KRBMRKCWXILMNK-HTUUBCJYSA-N 403.526 3.563 0 1 HHAF CC(C)[C@H](C)C(=O)Nc1nc2c([nH]1)[C@@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 2356543951 WSPTYPWIKVJOTQ-UONOGXRCSA-N 420.517 3.866 0 1 HHAF C[C@H](O)C[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 2356668172 GWJFZUCGTPBCOE-ZDEQEGDKSA-N 404.459 3.505 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 95570835 PTSIUNPDVXBFMI-LJQANCHMSA-N 405.903 3.884 0 3 HHAF Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 263590277 GRPVBCJOCSTEDG-BBRMVZONSA-N 408.882 3.520 0 3 HHAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cn(C)c2ccccc12 4792907 AUNYQPIQUYZOSQ-BJKOFHAPSA-N 424.504 3.800 0 1 HHAF COc1cccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)c1 13761456 UEZAHMGOKOCCEP-VWLOTQADSA-N 416.429 3.822 0 1 HHAF Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@@H](C)C(=O)NCc1ccc(F)cc1)C2 25203714 XYRGYSNAQUQDPX-QAPCUYQASA-N 413.489 3.963 0 1 HHAF biogenic CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N21 26952656 MSJBTEJXCBLQIY-VSKRKVRLSA-N 401.510 3.750 0 1 HHAF COc1ccc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N3CCCN=C32)cc1 35969003 PIONCLLNBJJWDA-XMMPIXPASA-N 415.472 3.572 0 1 HHAF C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccccc1Br 36382936 POKXMBOSHMCZOY-RDTXWAMCSA-N 410.333 3.741 0 1 HHAF COc1ccc(Nc2ccc(CCNC[C@@H](O)c3ccc(O)c(CO)c3)cc2)cc1 38460067 DYDZPCGUFFYCPJ-XMMPIXPASA-N 408.498 3.502 0 1 HHAF O=C(Cc1cccc(F)c1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 40575481 ZLNNUPCTQJLPPD-UHFFFAOYSA-N 421.472 3.966 0 1 HHAF CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3ccnc4cc(Cl)ccc34)C2)cc1 45211083 KTQQVUOVHIHNHJ-GOSISDBHSA-N 408.889 3.855 0 1 HHAF Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)CN3CCOCC3)n2)cc1 49089875 VSTOWZBJGTZKGD-UHFFFAOYSA-N 406.461 3.529 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@@]3(c3ccc(F)cc3)C2)n1C 58511502 QLOCSQXNJJSRQH-IERDGZPVSA-N 413.522 3.673 0 1 HHAF CC[C@H](O)[C@@H]1[C@@H]2CC[C@H]3CC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@H](CC2)N31 85532594 ZOUDZLSCIFATNZ-UGPYSOOWSA-N 415.530 3.628 0 1 HHAF biogenic,in-vitro O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncnc3c1C=CC3)CC2 100627863 OAAMJDHGXHQEIB-UHFFFAOYSA-N 413.525 3.936 0 1 HHAF Cc1ccnc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)c1 103292381 KQCBUUVGXUQFCJ-UHFFFAOYSA-N 403.463 3.636 0 1 HHAF COc1cc(OC)cc(N(CCCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 139662828 RFPQZVZQZKKHQS-UHFFFAOYSA-N 418.501 3.534 0 1 HHAF Cc1ccccc1N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149348746 MIBZZAQEYADKJP-SFHVURJKSA-N 408.523 3.930 0 1 HHAF COc1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)cc1 165742234 HCYWKUPRVAVQGU-UHFFFAOYSA-N 402.454 3.568 0 1 HHAF CCCOc1ccnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709845 JIRHYWJSVGEGIR-HNAYVOBHSA-N 401.482 3.864 0 1 HHAF COc1ccc([C@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC 169715445 DPSXMDPPIOOOCX-ODXCJYRJSA-N 419.886 3.732 0 1 HHAF O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 261153770 PLNFKYPQSOGZAX-SAKMYQHLSA-N 420.937 3.778 0 1 HHAF Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O 261172301 TYOPZGWEWQOLHM-SFHVURJKSA-N 410.840 3.920 0 1 HHAF CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=C/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 410428663 DDVBPZROPPMBLW-FECQTCSDSA-N 421.559 3.860 0 1 HHAF in-vivo CN(C)C(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587019051 DPAOEHNZBLHGJX-UHFFFAOYSA-N 411.512 3.626 0 1 HHAF CC(C)[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198108 UBTYFWZZGYKPMO-LJQANCHMSA-N 402.539 3.959 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 587378422 UYQHXKUCEGOFSZ-UNMCSNQZSA-N 410.422 3.573 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2COC[C@H]1CN(Cc1ccccc1)C2 587475092 LSQJHSMVECRKNE-XMZFGDCGSA-N 407.510 3.827 0 1 HHAF C[C@]1(c2cccc(OCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597478 UUMXJJGJTNGOCS-NFBKMPQASA-N 406.390 3.733 0 1 HHAF Cn1cc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cn1 587612236 LKVULDJBPMNPAU-PXNSSMCTSA-N 405.435 3.952 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 587769563 OACDYXBIUQQJBM-FVMDXXJSSA-N 411.271 3.633 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1ccc(N3C[C@H](C)O[C@H](C)C3)o1)N(C)[C@@H](C)C2 962635825 UVRJKQMRCNTWPF-LMGVVVSRSA-N 400.519 3.876 0 1 HHAF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2-n2c1nc1ccccc1c2=O 963256766 DTXFRVUPRIKIGC-XMMPIXPASA-N 415.880 3.799 0 1 HHAF CCOC(=O)C1(c2ccncc2)CCC2(CC1)N[C@@H](C)Cc1c(OC)ccc(OC)c12 963635139 LOITWYDGDCFOSG-HHDZUXODSA-N 424.541 3.903 0 1 HHAF O=C(Cn1cc[n+](Cc2c3c(cc4c2OCC4)OCC3)c1)c1ccc2ccccc2c1 1772574029 XQWDUROELVZOBH-UHFFFAOYSA-N 411.481 3.730 0 1 HHAF CCCN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1 1772588856 NIWZOKCAYADKMB-UHFFFAOYSA-N 408.546 3.723 0 1 HHAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@@H]5c4cccc(Cl)c4)(C2)C3)cn1 1857580713 REGUKWPDBFIQSN-OSFYOIPJSA-N 408.937 3.918 0 1 HHAF Cc1ccc2nc(NC(=O)c3cc(F)c(F)cc3F)c(C(=O)NC3CCCC3)n2c1 1857594309 XZRVBIMSBVYDRV-UHFFFAOYSA-N 416.403 3.985 0 1 HHAF CCCSc1nc(Sc2ncccn2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857758598 QIUZEAZLSCRFIA-UHFFFAOYSA-N 422.539 3.678 0 1 HHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](Cc5ccc(=N)[nH]c5)C4)(C[C@](N)(CCO)[C@H]31)O2 2356297803 YMAGGZDWBUAIJN-FLXNOAKISA-N 413.606 3.661 0 1 HHAF C[C@@]1(c2nnnn2-c2ccc(F)cc2)CCCC(=O)N1CCc1c[nH]c2ccccc12 203465277 CLLKXIFGLWLXTJ-QHCPKHFHSA-N 418.476 3.753 0 3 HHAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)sc2n1 5093595 LFDIHGUJUJLZQP-WWGRRREGSA-N 402.564 3.699 0 1 HHAF COc1cccc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1 13492656 FAAVUZJXYXGQAR-UHFFFAOYSA-N 422.356 3.944 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](C(=O)NCc1ccncc1)[C@@H]2O 13681789 PHCMYYPTUPNLMJ-ZGWIAFOFSA-N 406.526 3.547 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C(=O)[C@H](C)[C@@H](C)C2 15270932 BIOIJNOXHMOLAA-WDEREUQCSA-N 400.427 3.825 0 1 HHAF biogenic COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C1=CC=CN(C(=O)OC(C)(C)C)C1 27712883 ISOBCBFQTYNJAF-XMGGNUPJSA-N 404.463 3.631 0 1 HHAF O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H](N1CCOCC1)O2 28124444 FMJNYWWOBPDRGB-HSZRJFAPSA-N 408.498 3.789 0 1 HHAF Brc1cccc(Nc2ncnc3ccncc23)c1NCCc1c[nH]cn1 29133028 FVIJIMMDRHCHRE-UHFFFAOYSA-N 410.279 3.909 0 1 HHAF N[C@@H]1CC[C@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]2C1 49116464 XBHGTEQGRIWAQJ-MJCKAROISA-N 413.873 3.807 0 1 HHAF O[C@@H](CNC[C@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72182057 NIFSLPNXPNHSGO-HZMBPMFUSA-N 407.358 3.505 0 1 HHAF COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NC[C@H]2CCCO2)n1 82197840 RPENHHOTKXUKHB-ZBFHGGJFSA-N 421.588 3.648 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 82205922 IOJYJUGZZOAPGL-QZTJIDSGSA-N 400.498 3.565 0 1 HHAF CCCN1CCN(c2nc(CCN(C)C(=O)c3ccc(Cl)cc3)cs2)CC1 98082645 DMBMHHQMVYMPGI-UHFFFAOYSA-N 406.983 3.643 0 1 HHAF Cn1c(CSc2cc(C(F)(F)F)nc3ccccc23)nnc1SCC(=O)O 101307988 VGQHGMGBKYDPMJ-UHFFFAOYSA-N 414.434 3.851 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103584490 ZLUSLAZADREYQO-UHFFFAOYSA-N 418.478 3.861 0 1 HHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ncccc3F)ns2)n1 144455488 UAQTUQYDPGTLDS-UHFFFAOYSA-N 406.450 3.753 0 1 HHAF CCOc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167335282 OTNPTVOOFJAOQW-JKSUJKDBSA-N 413.367 3.958 0 1 HHAF CC(C)COC(=O)NC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O 169687387 WBRHGMNHQLDXNU-JLTOFOAXSA-N 404.850 3.761 0 1 HHAF CSc1nn2c(C)c(Br)c(C)nc2c1S(=O)(=O)c1ccccc1 169699832 GOKSSJMCRQWXSF-UHFFFAOYSA-N 412.334 3.663 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)C(=O)NCCC2 169700513 UAMJOJWGRJSVOH-UHFFFAOYSA-N 413.477 3.584 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CC(=O)N[C@@H]3C)nn2-c2ccccc2)c1 169706954 VLITZOXPAMVUQW-OXQOHEQNSA-N 402.498 3.955 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1 199945177 OOJBGWHNVNUTAW-UHFFFAOYSA-N 404.580 3.502 0 1 HHAF O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 226064650 MVONBPRQLZYVPK-GJYPPUQNSA-N 404.445 3.750 0 1 HHAF O=C1C[C@H](Sc2c(F)c(F)c(F)c(F)c2F)N1C(=O)NCc1ccccc1 299855238 ATVRQBRZFTYRCV-JTQLQIEISA-N 402.344 3.942 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)nc2[nH]1 586937695 RTLLUIBKQHNNRI-MRXNPFEDSA-N 404.561 3.656 0 1 HHAF COc1cc(Br)c([C@H](N)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC 586974207 CYKKRGSZQBXPQB-AWEZNQCLSA-N 416.197 3.808 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 587030829 IYOCTQPBCSKGHM-SRMXYGTFSA-N 413.528 3.789 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052958 VOYISYQSELEZAZ-UHFFFAOYSA-N 400.891 3.924 0 1 HHAF O=C(NCc1nc2c(F)cnc(Br)c2[nH]1)c1cccc(C(F)(F)F)c1 587112984 XFHVQEZYANVECJ-UHFFFAOYSA-N 417.160 3.808 0 1 HHAF COC(=O)c1cc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1OC 587235494 ODTDCFWMGWCJEC-TZMCWYRMSA-N 403.479 3.909 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587399823 MNTVVWOEKIFKSO-XMMPIXPASA-N 403.434 3.723 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 587764624 GJTGOLCRZQQOAH-LHSJRXKWSA-N 418.354 3.964 0 1 HHAF COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587768481 CZNKZVNMLHZHCE-JEOXALJRSA-N 423.282 3.634 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587789273 BZPIIPFBDZFRBA-APBUJDDRSA-N 405.267 3.717 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccccc3F)c2O)c(O[C@@H]2CCOC2)c1 587924509 AXAPELFJZQGGQX-CQSZACIVSA-N 413.401 3.649 0 1 HHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587934725 FJXNVKQJSGKMGU-ABKXIKBNSA-N 405.248 3.869 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@H](c2ccccn2)N(c2ccccc2)[C@@H]1c1ccccn1 653810907 OBYNRBKAUUYVRB-YMPZKCBVSA-N 401.466 3.918 0 1 HHAF O=C(O)CCC(=O)N1NC(c2ccccc2)=C[C@@H]1c1ccc(Br)cc1 957579807 GXFJRATZSMIHEE-QGZVFWFLSA-N 401.260 3.743 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc(COc3ccc(F)cc3F)o2)N1 962903934 NABFPSAPKSQGFT-OXJNMPFZSA-N 403.356 3.964 0 1 HHAF CC1=CC[C@H](c2onc(C(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2C)OC1 1772634317 MXLPXKIENJVXBU-QGZVFWFLSA-N 414.506 3.957 0 1 HHAF Cc1nc2c(N3CCOCC3)nccn2c1NCCc1c(Cl)cccc1Cl 1772650827 HGNWNUHFGYTMKV-UHFFFAOYSA-N 406.317 3.836 0 1 HHAF O=C(NCCc1ccccn1)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2cc[nH]n2)cc1 1857577465 CJHPFFSSMGEXHF-NHCUHLMSSA-N 402.498 3.820 0 1 HHAF CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 4932104 JLEIUWDADZVDCT-DEFALTHMSA-N 412.486 3.844 0 3 HHAF COc1ccc(CNC(=S)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1 4969820 PPDKYWVANSHQLF-UHFFFAOYSA-N 422.554 3.875 0 3 HHAF O=C(N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1 604050 XPFYXENOJPYPGY-DEOSSOPVSA-N 420.472 3.664 0 1 HHAF COc1cc(OC)c([C@H]2C[C@@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC 2914302 JFVYYFJOFRZNJW-JKSUJKDBSA-N 400.866 3.756 0 1 HHAF O=C(O)c1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 4003981 HQNSGYDPHZYNSK-LJQANCHMSA-N 402.450 3.765 0 1 HHAF O=C(Nc1[nH]nc(C(=O)Nc2ccncc2)c1Br)c1ccccc1Cl 28711965 JNJVTOBXNJQOIB-UHFFFAOYSA-N 420.654 3.725 0 1 HHAF CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 45245027 PMJIUNUHZLTRMR-NBJYBMASSA-N 401.507 3.641 0 1 HHAF COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)c(Cl)sc2=O)cc1N 45302676 GCUAWUAOHAMNHW-UHFFFAOYSA-N 422.890 3.836 0 1 HHAF Cn1c(NCc2ccccc2)nc2cnc(Nc3cccc(S(C)(=O)=O)c3)cc21 82082954 HTWOISOZZUFNSK-UHFFFAOYSA-N 407.499 3.728 0 1 HHAF Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(F)c3)cc2)cc1 100096099 IDPWXRKXBLMZJQ-UBRQYEGLSA-N 422.525 3.930 0 1 HHAF COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)N2CCCCC2)cc1 166309358 MFMAQSKUXRMEJS-UHFFFAOYSA-N 408.907 3.776 0 1 HHAF CNC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(-c5ccc(O)cc5OC)ccc34)nc2c1 167085372 GNLUTCWCOCLPIJ-UHFFFAOYSA-N 413.437 3.847 0 1 HHAF C[C@@H](C(=O)O)c1ccc2c(c1)OCc1cc(I)ccc1C2=O 169340392 GWSQBCOVRWBAHX-SECBINFHSA-N 408.191 3.603 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccccc2)cc1 169586070 AGPADCZTLLHBPM-FYYLOGMGSA-N 403.507 3.862 0 1 HHAF CCOC(=O)[C@@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@@H]1c1cc(C)ccc1C 169687456 SYTUNNRYKZTPDR-NHCUHLMSSA-N 404.470 3.738 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3coc(C4CC4)n3)c2)c2cncnc21 169707934 ZZQZFLXCSHFTNX-UHFFFAOYSA-N 416.441 3.756 0 1 HHAF Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 226053656 IASAFOJVDHSYLM-IEZWGBDMSA-N 422.460 3.960 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2cccc(O)c2[nH]1)c1ccc2c(c1)OCCO2 586949918 GNASLPTVTGEEGW-UHFFFAOYSA-N 423.450 3.508 0 1 HHAF CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(Br)cc21 587374839 ZMRDAKLKHHAPPL-IBGZPJMESA-N 401.260 3.567 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCC(=O)O)O2 587377844 PFLYGOZEGBHBGF-MRXNPFEDSA-N 406.232 3.510 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(I)ccc31)O2 587385277 CAAHPFLCAUVGGZ-SFHVURJKSA-N 405.235 3.989 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C(F)(F)F)cc(Cl)cc41)[C@@H](C2)C3=O 587424572 ZZIYHBLIPGEJAI-SGTLLEGYSA-N 409.747 3.962 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)CC2=O 587476044 SMVNGGYHYGNJIF-MWTRTKDXSA-N 401.503 3.630 0 1 HHAF Cc1nn(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br 587537984 CCRGHOWMYSIXDT-LIRRHRJNSA-N 415.243 3.900 0 1 HHAF Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N(C)C)n1 587552862 SWBLDTLBHJTKFH-HNAYVOBHSA-N 411.845 3.913 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570094 KGSIKBXDIVJEBC-CVDCTZTESA-N 408.381 3.952 0 1 HHAF CC(=O)Nc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 587923645 CAZOQYKDFMGTPK-UHFFFAOYSA-N 401.513 3.831 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3nc(C(F)(F)F)cs3)N12 962669983 QTYLUQBVUQXSEN-KBXCAEBGSA-N 407.417 3.898 0 1 HHAF CCOC(=O)C[C@@]1(c2ccccc2OCC)NCCc2cc3cccc(OC)c3nc21 963057167 MGPJLSGIBZPQAL-VWLOTQADSA-N 420.509 3.985 0 1 HHAF COc1ccc(C(=O)[C@H](F)[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772589605 ZOVQGYYIWZWHNI-PZJWPPBQSA-N 423.506 3.675 0 1 HHAF Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccc(Cl)cc3c2)c(C)c1 1857578644 ALPLORGFGCPZGC-UHFFFAOYSA-N 403.887 3.994 0 1 HHAF C=CC(=O)NCCn1cc(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnc21 1857603195 MLGMVEAIWOTYGF-UHFFFAOYSA-N 407.499 3.514 0 1 HHAF COc1ccc(CNC(=O)Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)cc1 61926884 OOTVUEYWEAFQEL-QGZVFWFLSA-N 400.479 3.855 0 3 HHAF COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@H](CC(=O)OC)[C@@H]21 1858475 BLCGEGXEZPZFNQ-BTYIYWSLSA-N 404.422 3.547 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc3ccccc23)s1 2315333 WTGFXIOUKKWEBF-ROUUACIJSA-N 417.446 3.749 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)cc1 4050851 OXKSGFIKLJEWLD-VTUOOYILSA-N 410.514 3.700 0 1 HHAF CCOC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 6009886 HFGQSEUSMMJEGO-MRXNPFEDSA-N 409.479 3.999 0 1 HHAF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccc(C=O)c3)c(F)c2)C(=O)O1 13648797 XJLCVUPLYNUJNH-XJBHOSEGSA-N 400.381 3.567 0 1 HHAF CC(C)(CCCOc1ccc(OCCCC(C)(C)C(=O)O)c(C(=O)O)c1)C(=O)O 25977380 YSWIGVLJLLVORS-UHFFFAOYSA-N 410.463 3.924 0 1 HHAF Cc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2cccc(F)c12 28951857 KGUKPIOWDREODC-ZUOKHONESA-N 401.392 3.503 0 1 HHAF CC(C)=CCC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 71332240 ZLYSFGGEKCVITR-OTMARIDSSA-N 415.552 3.983 0 1 HHAF C/C=C(/C)CC(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 71789521 SAOYQMRXTUMXIZ-JHZFPNEFSA-N 400.427 3.836 0 1 HHAF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 82073427 ZLQMEMNWFWEHNY-IBGZPJMESA-N 400.475 3.615 0 1 HHAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82141593 CDKDKCWTMXGREO-UHFFFAOYSA-N 420.488 3.782 0 1 HHAF CCCCNC(=O)c1cnc(NCC2CC2)nc1-c1cc(OC)c(OC)c(OC)c1 82143164 IFMFDJZXZAVHRT-UHFFFAOYSA-N 414.506 3.521 0 1 HHAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188242 ABONMMHUXFMBGL-HNNXBMFYSA-N 420.542 3.907 0 1 HHAF COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(Cc3ccccn3)c12 84633778 BZNFHPBYRCLAHN-UHFFFAOYSA-N 401.426 3.602 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C)CC1 95864761 DVXPGYNQMPOGRG-JOCHJYFZSA-N 423.532 3.828 0 1 HHAF CNC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144874806 YNYAGRZTOKHBSY-IBGZPJMESA-N 421.806 3.728 0 1 HHAF COc1ccccc1Cn1[nH]c(C(F)(F)F)c(Cc2ccc3c(c2)OCO3)c1=O 148076902 SNFRINHVKRZMNC-UHFFFAOYSA-N 406.360 3.572 0 1 HHAF CCCCCC1(/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)OC)OCCCO1 169315843 LXMUKVBYKRANAZ-LGXYEVNDSA-N 424.578 3.904 0 1 HHAF Cc1cccc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 169707964 SVWFPXLRMGWATD-UHFFFAOYSA-N 400.442 3.594 0 1 HHAF CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C(C)(C)C)nc3n2)c1 205171582 VUWOZURKZJVAEV-HNNXBMFYSA-N 419.529 3.574 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3ncccn3)n[nH]c2C1 226010787 DFHQBUULLRJAJK-UHFFFAOYSA-N 407.783 3.737 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccnc2[nH]1 586936443 MYIBNUOIKRBCKT-HNNXBMFYSA-N 404.561 3.656 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587039128 AQFUHNLFUVVAJL-UHFFFAOYSA-N 405.277 3.802 0 1 HHAF COc1ccc(-c2ccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c(F)c2)c(F)c1 587153370 ZEMXQYQBWZGIMW-UHFFFAOYSA-N 415.421 3.831 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335303 JOXUAPLLCNQTJU-FYOOHZHOSA-N 413.445 3.658 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)O2 587395832 OQZZVONLDMARIO-CAVPUYEOSA-N 401.507 3.715 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](c1cccc3cc(OC)ccc13)(C(O)O)CC2=O 587484177 WYZLHXOHRSYGME-DEOSSOPVSA-N 408.450 3.678 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cn2)N1 587678888 DJAHBTWKBXLQFV-VXJOIVPMSA-N 415.104 3.938 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(F)ccc2F)N1 587714912 GMGYZOYREWCJIC-CQLKUDPESA-N 400.194 3.729 0 1 HHAF CNC(=O)c1c(C)[nH]c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1C 587863270 FLSZBZREJFRYNK-UHFFFAOYSA-N 420.391 3.571 0 1 HHAF CCn1ncc(C(=O)C[C@@]2(C(F)F)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1C 962639003 XULSROUSNGSAQA-DMZKTXOQSA-N 421.488 3.838 0 1 HHAF COC(=O)c1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n(C)c1C 962650799 ZYWLOBPMJRBUPW-OFVILXPXSA-N 415.537 3.956 0 1 HHAF COc1ccc(O)c(C(=O)C[C@@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962919197 KDOPCCKEBNQZDY-VWLOTQADSA-N 419.525 3.920 0 1 HHAF CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(NCCc3ccc(O)cc32)[C@@H]1CCC(=O)O 963341094 KDCNVKRZQGPGHJ-RKONGDRVSA-N 417.546 3.525 0 1 HHAF Cc1cc2c(cc1O)[C@@](CCC(=O)O)(c1cccc3ccccc13)N[C@H](C(=O)O)C2 963513224 ZQTDPPPUCHCZEE-GBXCKJPGSA-N 405.450 3.561 0 1 HHAF O=c1c(Br)c[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc12 1772626315 DWNXPKALLHLXGQ-UHFFFAOYSA-N 416.294 3.752 0 1 HHAF FC(F)(F)c1cnc(N2CC[C@@H](NC(=S)Nc3cccnc3)C2)c(Cl)c1 1857618493 NUCDMXGDTQWXEU-GFCCVEGCSA-N 401.845 3.714 0 1 HHAF COC(=O)c1ccc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3ncccc23)cc1 1911586611 UQJZVESHVXMPIT-UHFFFAOYSA-N 419.437 3.900 0 1 HHAF CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCC1CCCCC1)C2 203472458 POUNIVCORXQCIJ-CYFREDJKSA-N 416.562 3.703 0 3 HHAF COc1cccc(CN2C(=O)COCc3ccc(-c4cccc(C(N)=O)c4)cc32)c1 205217616 MCFGHBVOCXZHKI-UHFFFAOYSA-N 402.450 3.525 0 3 HHAF CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCC3)ccc2F)cc1 3022836 STRVTTLQSDDMGS-UHFFFAOYSA-N 406.479 3.698 0 1 HHAF CC(C)(C)c1ccc(Oc2cccc([C@@H]3SCC(=O)N3[C@@H](CO)C(=O)O)c2)cc1 27844157 YXADBSCDIIFGMH-ICSRJNTNSA-N 415.511 3.796 0 1 HHAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@@H](c2cccc3ccccc23)O1 29315432 IADWXCHFXIXGKU-MHECFPHRSA-N 409.482 3.940 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(F)c2)s1 36160167 RMYHMNDSXOKJLR-ZWKOTPCHSA-N 419.518 3.893 0 1 HHAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 64446769 AGOMZXFWATVFOH-GPMSIDNRSA-N 407.520 3.515 0 1 HHAF O=C1NCc2cc(F)c(OCCCN3CCN(c4cccc5ccccc45)CC3)cc21 64548488 MIXXVGJQYQTQIC-UHFFFAOYSA-N 419.500 3.813 0 1 HHAF O=C(NCC1CC1)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1 82132976 RMNFKCBBVZIDQR-UHFFFAOYSA-N 402.454 3.624 0 1 HHAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82160016 RAFSPZAGZNQCBQ-UHFFFAOYSA-N 420.488 3.782 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC3(CC3)C[C@H]2CNc2cccc(C)n2)c1 96909847 QVJGIWZAZLQNOD-IBGZPJMESA-N 416.529 3.776 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1cccs1 146062139 PVVOYBGFWPJFHU-GOEBONIOSA-N 401.532 3.585 0 1 HHAF O=C(c1ccccc1Br)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 166996520 BJKYSIAVJGFRKP-HUUCEWRRSA-N 423.314 3.601 0 1 HHAF COc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1F 167343797 QZPBORQBPDDLFB-UHFFFAOYSA-N 407.445 3.640 0 1 HHAF CCCC(=O)N1CCC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 168089785 MIJXNFYOYOUCMW-OAQYLSRUSA-N 408.502 3.799 0 1 HHAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@H]2CN(C(=O)c3ccccc3)[C@H]2C1 205434949 GAIJRQBCRJNVSN-YJBOKZPZSA-N 404.297 3.659 0 1 HHAF C[C@H]1Cc2c(nnn2-c2ccccn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225997948 SISYDQNAILIMSB-NSHDSACASA-N 421.810 3.922 0 1 HHAF C/C1=C/C[C@@H]2C(C(C)C)=CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@@H]1O[C@@]3(C)O 238770286 YFSGXEZLCNEFQI-VRSDLSGASA-N 416.514 3.801 0 1 HHAF Cc1cc(-c2ccccc2NC(=O)c2nc[nH]c2C(=O)Nc2ccc(F)cc2)[nH]n1 299820947 FFLKDBSFKTWJIK-UHFFFAOYSA-N 404.405 3.752 0 1 HHAF O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 299822235 NKHFTYKTKASZGC-QFIPXVFZSA-N 407.832 3.687 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3cccs3)no2)cc1 299864534 RSBCERVMBISRML-UHFFFAOYSA-N 405.483 3.922 0 1 HHAF COc1cc(OC)c2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 586953770 RRDDFEQRAPDWIG-UHFFFAOYSA-N 416.484 3.504 0 1 HHAF CCc1cc(O)nc(SCc2nc3c(Br)cnc(Cl)c3[nH]2)n1 586966896 QGRCFVSBLITIAN-UHFFFAOYSA-N 400.689 3.724 0 1 HHAF O=C(O)c1cc(Br)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587170541 COBBWXJOZKWRNE-UHFFFAOYSA-N 407.195 3.620 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N1CCOCC1)O2 587378926 WUXOYPTUMUEKIV-LJQANCHMSA-N 417.303 3.883 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)c5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CCC2=O 587561774 KWMFKQYAHJJCDY-ARHPAUNVSA-N 421.497 3.603 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)nc2)N1 587687604 YWWPLYZENLXHGN-WPPNPWJKSA-N 401.077 3.764 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)C(F)(F)F)CC2)N1 587709393 MCFKYWWPJDPMNK-VIFPVBQESA-N 409.221 3.502 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 587747827 SDHLGLVJEAZEGB-JEOXALJRSA-N 407.283 3.813 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2nccn2C)N1 587754224 KTPRPTJJBUAMBA-HXPMCKFVSA-N 401.283 3.543 0 1 HHAF Cc1nnc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)s1 587857303 ZOFUXRWUSGDKQO-SNVBAGLBSA-N 411.344 3.778 0 1 HHAF COc1ccc(F)cc1[C@@]1(C[C@@H](C)CC(=O)O)c2ccsc2CCN1C(N)=O 962710034 LEGKLNUSQPXYMI-FKIZINRSSA-N 406.479 3.577 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@H](C[C@H]1CC[C@@H]([C@H]3NC(=O)OC3(C)C)CC1)NCC2 962934162 VHAXKRGNOLXXHJ-APMMZXSISA-N 413.562 3.659 0 1 HHAF O=C(O)CCC[C@]1(C2CC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181938 IDMOILQPCBVVNX-RHSMWYFYSA-N 405.800 3.818 0 1 HHAF CNC(=O)COC1=C(C)CCC(Nc2ncc(F)c(Nc3ccc4[nH]ccc4c3)n2)=C1 1772625716 KARBPZJQEHFIGJ-UHFFFAOYSA-N 422.464 3.967 0 1 HHAF O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1CO 1857563997 WQSQDZSRGMMMMO-UHFFFAOYSA-N 409.795 3.967 0 1 HHAF C[C@H]1CC[C@H]2[C@@H]3[C@](C)(C=C4[C@H](C)C[C@H](O)[C@@]412)CC[C@]3(C)C[C@H](O)C(=O)C(C)(C)O 2356484801 IDMQOGKKDALVSS-WGFQYVNNSA-N 404.591 3.873 0 1 HHAF CCCCC[C@H](C=C[C@H]1[C@H](CC=CCCCC(=O)OC)C(=O)C[C@H]1O)OC(C)=O 2356660582 IDRDPQADACSXNY-FCIYXJNOSA-N 408.535 3.910 0 1 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 770279 MGTPSJHVEXCIRP-JTHBVZDNSA-N 421.472 3.935 0 1 HHAF CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737485 VSYRBXOPZYZLRP-FXAWDEMLSA-N 408.527 3.979 0 1 HHAF COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@@H]1[C@@H](O2)OC(C)(C)[C@@H]1OC(C)=O 14683795 YRLRQNVYUYVRRD-BBFBFANZSA-N 424.449 3.944 0 1 HHAF biogenic NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccnc(F)c3)ccc2c1=O 27305831 POTQROHQFKCLJS-UHFFFAOYSA-N 409.804 3.650 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)[C@@H](O)C2 27307506 UWYRWJIHAHDDCD-DHJUGAMNSA-N 419.562 3.703 0 1 HHAF CC(=O)c1cc(F)c(Br)cc1NCC(=O)Nc1ccccc1C(=O)O 28644888 PDVQUMCOGXRBLD-UHFFFAOYSA-N 409.211 3.540 0 1 HHAF CN1C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccccc21 28952661 GIWDTZMWHNQKMS-NHCUHLMSSA-N 423.557 3.690 0 1 HHAF CN1CCC(NCc2cccc(-c3nn(C)c4nc(NC5CCCC5)ncc34)c2)CC1 45186858 ANXUXVLGHOYPEI-UHFFFAOYSA-N 419.577 3.569 0 1 HHAF Cc1cccc(Oc2cccc(CN3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)c2)c1 95572871 NLGPCRUBUWVPOP-FQEVSTJZSA-N 405.498 3.783 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4cc(F)c5ccccc54)ccc31)[C@@H]1CC[C@@H](C2)N1 100633014 ZQLSMXSBVUVKMZ-UGSOOPFHSA-N 409.486 3.858 0 1 HHAF Cc1cc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)c2ccccc2n1 103294733 KNNDOMWGVNUYFU-UHFFFAOYSA-N 424.507 3.621 0 1 HHAF Cn1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C2COC2)CC1 146517053 PQDWATPBJSVGQE-UHFFFAOYSA-N 405.424 3.560 0 1 HHAF C[C@@H](NS(C)(=O)=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 204647156 QCSRVODTOZIYRM-LLVKDONJSA-N 414.508 3.726 0 1 HHAF COc1cc2nc(C)c(-c3ccc(S(=O)(=O)N(C)C)cc3)c(O)c2cc1Cl 299822372 ONSMRKQSWOWUKV-UHFFFAOYSA-N 406.891 3.828 0 1 HHAF Cc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)cc1 299828953 HMQVTWSMCGYATG-YQVWRLOYSA-N 418.541 3.748 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587081492 ALOCIFMMWNAEEQ-UHFFFAOYSA-N 416.890 3.910 0 1 HHAF CCOC(=O)c1ccc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 587091246 CLSQSLXUJKYDRE-LJQANCHMSA-N 407.392 3.903 0 1 HHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587111362 BANRSJKOSLKILS-FUHWJXTLSA-N 405.380 3.705 0 1 HHAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587150921 VMCNCXFTOYNQEM-UHFFFAOYSA-N 402.426 3.702 0 1 HHAF O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(C2(Cl)CC2)[C@@H]1c1ccc(F)cc1 587324910 AVFKPIHMBIRCNR-NQIIRXRSSA-N 413.836 3.692 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1C(F)(F)F)[C@@H](C2)C3=O 587421208 OGPYQRAXYZEPML-SCLBCKFNSA-N 412.385 3.606 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccoc1)CC2 587584394 XKOBNYDESASIAT-LJQANCHMSA-N 405.406 3.622 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 587703194 FYRCRYKZPZRFBZ-JDNHERCYSA-N 422.685 3.873 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cncc(NC(C)=O)c1 587862384 MEEWXBOMVUQPQY-UHFFFAOYSA-N 404.348 3.619 0 1 HHAF COc1cccc(C(=O)NC[C@H](c2cnc(C)nc2)N2CCC(F)(F)CC2)c1Cl 1772577700 SDYONUZSUBRPMF-MRXNPFEDSA-N 424.879 3.649 0 1 HHAF O=C(c1n[nH]c2c1CN(CC1CC1)CC2)N1CCC(c2cccc(F)c2Cl)CC1 1772655805 JJWWZBIYALJWLH-UHFFFAOYSA-N 416.928 3.990 0 1 HHAF Oc1nc(SCc2ccc3nonc3c2)nc(SCc2ccccc2F)n1 1857603879 BPOVIEGLUKBOOX-UHFFFAOYSA-N 401.448 3.837 0 1 HHAF Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCNCC3)C4)c2s1 1911582617 KJLOQQLOFNVZKL-GOSISDBHSA-N 413.930 3.660 0 1 HHAF COc1ccc(CNC[C@@H]2O[C@@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)cc1 2356287650 NBJATMBRXOEWSE-GPXNEJASSA-N 408.498 3.591 0 1 HHAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccc(C(F)(F)F)cc2)COC1 2356299065 UUOZLMUAIFURDP-MRXNPFEDSA-N 419.403 3.703 0 1 HHAF COC(=O)[C@@H]1CC2=C(CN1Cc1ccc(F)cc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356845733 LWZZQFPJBGPPNQ-FQEVSTJZSA-N 414.888 3.663 0 1 HHAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066864 VMEPYGSAOZQVAK-KRWDZBQOSA-N 415.902 3.680 0 3 HHAF COc1cccc(Cn2c3ccc(NC(=O)C[C@H](C)C(F)(F)F)cc3c(=O)n2C)c1 61896106 JGCWCNYJHRJYPE-ZDUSSCGKSA-N 421.419 3.924 0 3 HHAF CCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N(CC)CC)=C1C 61921495 WISHCDKRLLTYPB-KRWDZBQOSA-N 419.591 3.545 0 3 HHAF COCCNC(=O)[C@@]1(C)CCN(Cc2ccc3ccccc3c2Br)C1 61925924 SPSDTYKDIJYWAN-FQEVSTJZSA-N 405.336 3.577 0 3 HHAF O=C(c1cc2c(=O)[nH]c3ccccc3c2s1)N1CCN(c2ccc(F)cc2)CC1 4920231 MKNWRJYMYKUXCE-UHFFFAOYSA-N 407.470 3.844 0 1 HHAF OCc1cnc(-c2ccncc2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569385 GIAOIYACAXXRBN-UHFFFAOYSA-N 417.309 3.739 0 1 HHAF COc1c(N2CCc3sccc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 28821930 SHAYIHWQHQTIEO-UHFFFAOYSA-N 414.458 3.807 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@]1(O)c1cccc(F)c1)CC2 38147503 VTESATXDAMBSLY-FXSPECFOSA-N 422.544 3.952 0 1 HHAF O=C(Cc1ccc(F)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 40567462 WELYCRKVWGABDF-UHFFFAOYSA-N 421.472 3.966 0 1 HHAF O=P(O)(O)[C@@H](CCCc1cccc(Oc2ccc(Cl)cc2)c1)S(=O)(=O)O 40899488 WFRSZISILHXWHG-MRXNPFEDSA-N 420.807 3.847 0 1 HHAF O=C(Nc1ccc(Cl)cc1)N1CCC[C@@](CCC2=NNNN2)(c2ccccc2)C1 49020514 DAHUROVPPIYTLI-NRFANRHFSA-N 412.925 3.612 0 1 HHAF O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1CO)CCCC2 64540156 OYYUPNGZPHAMRV-UHFFFAOYSA-N 413.465 3.852 0 1 HHAF CCC1(CC)c2c(ccc(OC)c2OC)C(=O)c2c3cc4c(cc3cc[n+]21)OCO4 71341689 JKCDVBGJUKBIOC-UHFFFAOYSA-N 406.458 3.981 0 1 HHAF C[C@@H]1CC[C@H](N2CC[C@@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 73224496 XXRJWFOMOOANJW-FXABVQRQSA-N 414.553 3.912 0 1 HHAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(N)cc5)cc34)cn2)CC1 96274061 UJBVXNIBLOQMGM-UHFFFAOYSA-N 416.485 3.706 0 1 HHAF COc1ccc2oc(=O)cc(COc3ccccc3I)c2c1 103264184 BRZGAGMBGJPNBY-UHFFFAOYSA-N 408.191 3.985 0 1 HHAF O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 143598505 IGXMXTUDKDNXBK-UHFFFAOYSA-N 413.861 3.878 0 1 HHAF C[C@H](O)c1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 144462168 VFJAKNDZPQZWGJ-HNNXBMFYSA-N 405.502 3.700 0 1 HHAF Cn1c(NC(=O)c2ccc3cc4n(c3c2)CC(C)(C)CNC4=O)nc2ccccc21 147841894 MFWROJLDICCFGJ-UHFFFAOYSA-N 401.470 3.550 0 1 HHAF COc1cc(/C=C/C(=O)N[C@H]2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC 169348271 ZLPWVTHBSSSFTI-KXKDPZRNSA-N 406.482 3.881 0 1 HHAF COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)Nc1ccccc1 169686023 OZUYGRMDAUIGGV-DXIQSLLYSA-N 421.497 3.598 0 1 HHAF CC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2C2CCOCC2)c1 169707125 TXKNBTQHAOUNHR-QGZVFWFLSA-N 424.545 3.664 0 1 HHAF CS(=O)(=O)N1CC[C@H]1c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 205302888 BYVGXWXQSUMVRV-SFHVURJKSA-N 404.875 3.893 0 1 HHAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CCCCO1 205656604 KLPUGHVLKJHZGB-ZDUSSCGKSA-N 419.457 3.898 0 1 HHAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2ccc3c(c2)OCO3)cc1 299837818 LDCMBBJYDFJBER-CQSZACIVSA-N 412.389 3.689 0 1 HHAF Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CC[C@@]4(CCNC4=O)C3)cc2)cn1 299869498 UTVAXXRKAZTNHW-QFIPXVFZSA-N 407.905 3.519 0 1 HHAF O=C1COc2cc3[nH]c(-c4ccccc4CS(=O)(=O)c4ccccc4)nc3cc2N1 586921871 OKWWAXHNYSYVSV-UHFFFAOYSA-N 419.462 3.535 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C 586932870 KJKJSELYOVPBPD-FQEVSTJZSA-N 415.563 3.811 0 1 HHAF O[C@H](c1ccc(Br)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586996542 HGGQYEYBYKNEIU-MRVPVSSYSA-N 407.577 3.821 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075315 HMVHZZLVPGTUGM-IBGZPJMESA-N 418.950 3.804 0 1 HHAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc21 587333747 LGSAZCPBDTYFBO-OFNKIYASSA-N 407.372 3.901 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)O)c(OC)c1)CC2=O 587485485 WULPRGILAFCZBM-JOCHJYFZSA-N 400.427 3.697 0 1 HHAF Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587580222 RUQASGYKUMVATO-OFNKIYASSA-N 404.422 3.845 0 1 HHAF CCOC(=O)C[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616912 HFNSSYRMSNNEBU-UTKZUKDTSA-N 411.435 3.659 0 1 HHAF C[C@H](Oc1ccc(Br)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587650953 IKTAILSKGIRKTI-JTQLQIEISA-N 407.651 3.920 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)COC(C)C)c(=O)c3ccccc23)c(O)c1 587666234 BXPCVQDBPFBCMM-UHFFFAOYSA-N 409.486 3.681 0 1 HHAF O=C(O)c1ccsc1[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922999 LQSZZIMTESKOLM-ROUUACIJSA-N 411.435 3.633 0 1 HHAF Cc1nc2ccncc2cc1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974948 LSAZCNQHXUGJQX-JXFKEZNVSA-N 403.816 3.732 0 1 HHAF O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccccc2)C1=O 1772589542 VVGXAQLQLHEZHA-OAHLLOKOSA-N 405.281 3.689 0 1 HHAF CCS(=O)(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2c1 1857533972 FDWPDBXFQFQSCU-UHFFFAOYSA-N 406.507 3.651 0 1 HHAF COC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1c[nH]c2ccccc12 1857575950 FDLHVSVLKYFGQS-NRFANRHFSA-N 408.498 3.890 0 1 HHAF COC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1CCc1c[nH]c2ccccc12 1857575951 FDLHVSVLKYFGQS-OAQYLSRUSA-N 408.498 3.890 0 1 HHAF Cc1cc2cc(n1)-c1cnn(C)c1OCCCCCn1c(nc3ccccc31)NC2=O 1857593205 HSZPBWABHVELOA-UHFFFAOYSA-N 416.485 3.955 0 1 HHAF N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ncccc45)c3c2)C1 1857645065 DNAOYMQGESKHSQ-HUUCEWRRSA-N 400.486 3.733 0 1 HHAF NC(=O)c1cc2ccc(OCC(F)(F)F)cc2n1-c1cccc(CCC(=O)O)c1 1857759823 KXXHZMLDLNDFRT-UHFFFAOYSA-N 406.360 3.688 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@H](C)[C@@H]2[C@H]1O 2356871932 YMXPCHARRQQITD-ANQVOQJFSA-N 412.574 3.523 0 1 HHAF COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1OC1CCN(C(C)=O)CC1 12596693 IJBCDXPPECJPGX-JOCHJYFZSA-N 422.525 3.892 0 3 HHAF O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1 3956376 HSPGYIKWZFETSN-NRFANRHFSA-N 417.506 3.534 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCOC)cc1 4207081 NMEOEYFCGCZBEO-FPOVZHCZSA-N 416.905 3.983 0 1 HHAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc21 5058543 PLRBQBWXHVONDX-ZSIWHHEXSA-N 410.539 3.952 0 1 HHAF COC[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2C[C@H]1COC 14435180 WBJMMHMEDGPCCD-XAEMIUIASA-N 400.471 3.646 0 1 HHAF biogenic COC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21 28527325 TXYOVASKQVFALR-UHFFFAOYSA-N 414.505 3.893 0 1 HHAF C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@H](C(=O)O)[C@@H](C)O 28878908 IOEVPABEUDQUKN-XERDEOGKSA-N 416.356 3.934 0 1 HHAF COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1C[C@H](C)O[C@H](C)C1)C(F)(F)F 34802050 YRAUBPBLFNFPPH-KSMMKXTCSA-N 407.448 3.905 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@H](O)Cc2cccc(F)c2)s1 36160173 RMYHMNDSXOKJLR-ROUUACIJSA-N 419.518 3.893 0 1 HHAF O=C(c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1)N1CCC(O)CC1 72103587 KHKJOEIKDWHWDN-DEOSSOPVSA-N 422.912 3.616 0 1 HHAF O=C(Cc1cc2cccnn2c1-c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1CO 95555779 VFCNGSOOYNHGME-GOSISDBHSA-N 403.404 3.546 0 1 HHAF O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95569602 FVYMDQNVOKPIEP-VHSSKADRSA-N 405.267 3.578 0 1 HHAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c([C@H]3CC(c4ccccc4)=NO3)n2)cc1 96273298 GPBDAISQSIENJA-HXUWFJFHSA-N 422.510 3.774 0 1 HHAF O=C(O)CCc1ccc(CNC(=O)c2ccc(CNC(=O)c3ccccc3)cc2)cc1 96929001 LEMJAHZEOXMYTC-UHFFFAOYSA-N 416.477 3.564 0 1 HHAF O=C(N[C@H]1[C@@H]2CN(CCCc3ccccc3)C[C@@H]21)[C@](O)(c1ccccc1)C1CCCC1 102086849 DJBRSVQJAQGQJK-FCRYVSRXSA-N 418.581 3.744 0 1 HHAF Cc1nc(N[C@H](C)c2cccc(OCC(N)=O)c2)cc(-c2cc3ccccc3n2C)n1 141802015 SMCXZNIJFXPFPA-OAHLLOKOSA-N 415.497 3.981 0 1 HHAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(C4(O)CCOCC4)ccc3F)nnc12 145745985 APYNICNKWVVRJZ-UHFFFAOYSA-N 419.460 3.662 0 1 HHAF O=C(Nc1ccc(N2CCN(C(=O)c3ccoc3)CC2)cc1)N1Cc2ccccc2C1 166427044 AHNBFTPLNCECGX-UHFFFAOYSA-N 416.481 3.790 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 169295367 ZHDUETSVHPQFSE-WHVWYTALSA-N 414.461 3.505 0 1 HHAF CC(C)(C)CNC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cn21 169331598 NFMSNXYDDWETPY-OAHLLOKOSA-N 423.435 3.891 0 1 HHAF Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2NC(=O)c2cnn3cccnc23)cc1 204760041 ABYSRHODGZLWJQ-UHFFFAOYSA-N 409.453 3.725 0 1 HHAF Cc1ncc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCC(F)(F)CC2)cn1 207701309 QPZZTDUXBPLMNE-MRXNPFEDSA-N 412.843 3.780 0 1 HHAF Cc1nc(N)ncc1-c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F 224735714 RRNCOCFMRCOUJZ-UHFFFAOYSA-N 414.506 3.917 0 1 HHAF CN1C[C@H](c2ccccc2)N[C@@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 473233232 BXUSPFXZJNJHSM-KNQAVFIVSA-N 404.449 3.667 0 1 HHAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586926945 ROGBSZRAYDGYKC-UHFFFAOYSA-N 412.389 3.681 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587419975 VHZAITKWSARQSW-YWZLYKJASA-N 417.255 3.965 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C1(C)C 587474645 GURHAMOSUVHQCJ-QFIPXVFZSA-N 403.475 3.995 0 1 HHAF Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N(C)C)n1 587552860 SWBLDTLBHJTKFH-DNVCBOLYSA-N 411.845 3.913 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCO4)c2c1 587649230 MUTHLFPKMNKFTL-UHFFFAOYSA-N 411.357 3.550 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C2=O)N1 587766164 FWSDEGUPJQOBLH-XCLFUZPHSA-N 403.295 3.750 0 1 HHAF CCOC(=O)[C@H](CC)[C@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793949 OJXBDHRIDICBOC-FNFWKMNBSA-N 402.304 3.553 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)([C@H]2CCCNC2)N1 587799819 YWJLLYRUKCWUNP-IAMHBRQHSA-N 404.327 3.761 0 1 HHAF COC(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804125 AZTDJQFWBGCIHF-MPBGBICISA-N 422.294 3.938 0 1 HHAF COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808592 OPTSQEUTSUZNBH-MPBGBICISA-N 420.278 3.764 0 1 HHAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(COCc3cccc(Cl)c32)N1 962703560 MAEIENRGUMAVON-MAUKXSAKSA-N 415.770 3.871 0 1 HHAF O=C(O)c1[nH]nc(Cl)c1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952602 IFAFVGLMNDLLRM-ZDUSSCGKSA-N 415.799 3.521 0 1 HHAF CCCCC[C@@]1(CC[C@H]2C(=O)C[C@H](O)[C@@H]2CCC(=O)O)NCCc2ccc(O)cc21 963344106 YOXUUGUDNWYGKT-OBFMXLEASA-N 417.546 3.525 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 963603882 CKRFGWPVMFFFEF-XVKMZPNBSA-N 402.535 3.709 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(OC)c(OC(F)F)c(OC)c1 963633376 HVVUJZJISGEATG-NSPYISDASA-N 409.429 3.946 0 1 HHAF C[C@H](NC(=O)N(C)C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](O)C2)cc1 1772578951 JKHKZDAKLLTWSI-BXKMTCNYSA-N 423.557 3.857 0 1 HHAF COc1cc(-c2nc3ccc(NC(=O)c4cccs4)cn3n2)cc(OC)c1OC 1857589494 YQMCEDDBZFNIJW-UHFFFAOYSA-N 410.455 3.736 0 1 HHAF Cc1ccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1857634087 BIWVBELTFRBHRE-UHFFFAOYSA-N 408.523 3.712 0 1 HHAF O=C(NCc1ccccc1)[C@]1(C(=O)C2CC2)CC(c2ccccc2C(F)(F)F)=NO1 203473998 HQIWHFTVZYGHSB-OAQYLSRUSA-N 416.399 3.864 0 3 HHAF CN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 13758586 FGAZQFHCZPVRQP-UHFFFAOYSA-N 400.885 3.880 0 1 HHAF C[C@]1(OC(=O)c2ccc(Cl)nc2)C(=O)Cc2cc(-c3ccsc3)ncc2C1=O 13817879 PZVJEMCRPJOOPD-FQEVSTJZSA-N 412.854 3.782 0 1 HHAF CC(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)c1ccccc1 14827075 GZZZGRTUYOVNEC-LEWJYISDSA-N 408.406 3.794 0 1 HHAF biogenic CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccccc2Cl)CC4)CC1 28526866 LVJFLUWYSLZHRL-UHFFFAOYSA-N 406.917 3.843 0 1 HHAF Cc1nc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 72139631 FOHKWCZGORLZQI-LJQANCHMSA-N 401.873 3.914 0 1 HHAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187630 NXERJKVNCKBXFP-UHFFFAOYSA-N 422.508 3.510 0 1 HHAF COc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1 95565192 FSCWFERLHQSZGN-UHFFFAOYSA-N 402.857 3.544 0 1 HHAF CC(C)CNc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1 96906130 SILKGWGXUSNTHP-UHFFFAOYSA-N 412.929 3.761 0 1 HHAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)NOCC(=O)O 103198161 IYBYRRSNKYFVDC-JTQLQIEISA-N 400.214 3.685 0 1 HHAF O=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592180 IQWFDZWZIFXFTE-UHFFFAOYSA-N 406.461 3.795 0 1 HHAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCCc2ccccc2)c(OC)c1 169729872 AYKYFDQJWBDOAU-RTWAWAEBSA-N 410.470 3.721 0 1 HHAF O=C(O)Cn1c(=O)c(Sc2ccc(Br)cc2)nc2ccc(F)cc21 299863294 KUDXOSVTNIIUIJ-UHFFFAOYSA-N 409.236 3.534 0 1 HHAF Brc1cnc(Br)c2[nH]c(Cc3csc4nccn34)nc12 587041335 YNXFWZQRCICION-UHFFFAOYSA-N 413.098 3.783 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)cc3[nH]2)CCC(O)CC1 587233816 DMTLHGPADDEQJS-UHFFFAOYSA-N 410.312 3.980 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OCCO3 587258669 QHJOTTIUDPEWME-KRWDZBQOSA-N 402.454 3.906 0 1 HHAF COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587347767 MQDYITLDJCGMAQ-REWPJTCUSA-N 405.381 3.746 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Br)cnc1Br)O2 587373063 PGBQZDWOJBFJKI-SNVBAGLBSA-N 413.069 3.599 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522537 FNHROBDVYPLCKH-RUZDIDTESA-N 422.477 3.957 0 1 HHAF C/C(=C\[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587573236 SHTCSQFURYCYKA-CNRLFXKBSA-N 403.438 3.505 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnn[nH]1 587574393 ZJUMIFFTEKOYKO-DENIHFKCSA-N 403.369 3.555 0 1 HHAF COC(=O)C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596401 VMIKDCSATHZOOF-ZJSXRUAMSA-N 404.418 3.898 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(C(F)(F)F)N1 587706797 RGVKHSCLVQNCOX-RFAUZJTJSA-N 404.205 3.913 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 587764628 GJTGOLCRZQQOAH-SZNDQCEHSA-N 418.354 3.964 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(C(=O)Nc3cc(OC(F)(F)F)ccc31)N(C)[C@@H](C)C2 962620426 HJOCPHBXJDFMEG-YBTHPKLGSA-N 422.403 3.675 0 1 HHAF CN1C(=O)C[C@H]2CN[C@H](c3cccc(F)c3I)c3cccc1c32 963033906 VNFIDRDIYSUPLT-YPMLDQLKSA-N 422.241 3.573 0 1 HHAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(Cl)cc1)[C@@H]23 1772580075 UCVNNOSMLIRFGC-RQGSJKACSA-N 418.965 3.998 0 1 HHAF CN1Cc2c(C3=CCN(CC(=O)O)CC3)[nH]c3nccc(c23)-c2cc(F)c(F)cc21 1772610278 OINXYQDCYRKLPR-UHFFFAOYSA-N 410.424 3.632 0 1 HHAF N=C1N[C@@]2(c3cc(F)cc(NC(=O)c4ccc(Cl)cn4)c3)OCC[C@H]2CS1 1772646381 FCQIBOAFXQYMPL-XTZNXHDOSA-N 406.870 3.587 0 1 HHAF COc1ccccc1CNC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O 2356551281 XWHQPOJMJWKSGV-LGVFNWMJSA-N 408.498 3.591 0 1 HHAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]([C@@H]1OC(=O)C=Cc1ccc(O)cc1)[C@@](C)(O)CC[C@H]2O 2356559742 MJYKKLXXDFOCHW-GGRBDDIJSA-N 402.531 3.911 0 1 HHAF CC(=O)[C@H](O)C=C([C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)O1)[C@@H](O)C(C)=O 2356589799 SPDXMPWYKQHATD-YTXOKUJHSA-N 406.563 3.603 0 1 HHAF CCCCn1c(-c2ccc(OC(F)F)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 6567059 WZIHAJKIBKUTLF-UHFFFAOYSA-N 406.433 3.611 0 3 HHAF Cc1c(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cnn1C 11665384 JFFSHBGEVRNHIE-UHFFFAOYSA-N 405.502 3.767 0 3 HHAF CCC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 13756893 APTCMKUWYITAOW-INIZCTEOSA-N 415.921 3.701 0 1 HHAF O=C(O)CN1C(=O)S/C(=C\c2ccc3oc(-c4ccccc4)cc(=O)c3c2)C1=O 40954565 JOJJFNWLWBIEBA-NVMNQCDNSA-N 407.403 3.581 0 1 HHAF CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1 64512032 XPZKPFGKUNSEEI-UHFFFAOYSA-N 412.929 3.534 0 1 HHAF CCCCOCCCNC(=O)[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C 82069973 JKBGYJAWGOLOCI-HXUWFJFHSA-N 415.534 3.727 0 1 HHAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 82221746 YSIUZLXFKTZNNP-UHFFFAOYSA-N 420.542 3.736 0 1 HHAF C[C@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 101120199 NPVRPJQNRSJGJS-MZQSTITISA-N 404.554 3.872 0 1 HHAF Nc1ccc2c(c1)[C@@H](O)[C@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 103232431 VOVXPCSLEFSNJQ-FYSMJZIKSA-N 412.505 3.694 0 1 HHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC[C@@H]4CCCN4)cc3)oc2c1 145786472 TZFVSGPYEQJXKV-QAPCUYQASA-N 418.497 3.876 0 1 HHAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(-n5cnnn5)cc4[nH]3)ccc12 586919173 WQNUDNAACDGLGG-UHFFFAOYSA-N 416.441 3.567 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C)nc2[nH]1 586956837 VSNZMYILFSBPAE-UHFFFAOYSA-N 420.494 3.693 0 1 HHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587112471 KHCQFYVROPBOJB-GOSISDBHSA-N 409.339 3.819 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cc3nc(N)oc13)O2 587373416 VBSUBSWHHLCJCT-GOSISDBHSA-N 402.248 3.944 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1N)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587433505 RMJNPDWNAVWFMI-MHECFPHRSA-N 401.418 3.667 0 1 HHAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC 587623108 KYYLGDBLSXZQHK-XFXZXTDPSA-N 405.296 3.835 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1ccc(C)cc1 587867229 AGMUJNVJKILBFJ-UHFFFAOYSA-N 404.348 3.560 0 1 HHAF COc1ccccc1[C@@H]1NC(=O)NC2=C1[C@]1(CCC2)NCCc2ccc(F)c(C)c21 962381572 YOTHVHXFFIENPP-LADGPHEKSA-N 407.489 3.976 0 1 HHAF COc1ccc(OC(C)=O)cc1[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962720088 YSXRXPMDCNIACH-YLJYHZDGSA-N 407.388 3.530 0 1 HHAF CC(=O)Oc1cccc([C@]2(c3ccccc3F)NCCc3c(C(=O)O)cccc32)c1 963125153 RYQGQFRULRBBQH-DEOSSOPVSA-N 405.425 3.887 0 1 HHAF C[C@@]1(c2cc(Cl)ncn2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180369 NATMQXHTDUSKAF-VFZGTOFNSA-N 406.191 3.665 0 1 HHAF COc1ccc([C@@H](Cc2ccccc2)C(=O)NCCCn2cncc2C)cc1OC 1857569577 PVWKESNJTIPTNF-OAQYLSRUSA-N 407.514 3.742 0 1 HHAF COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)C(=O)C2 1857754154 GUWMYOCCFDGLCR-UHFFFAOYSA-N 400.434 3.673 0 1 HHAF CC=Cc1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356399668 DCPVFFYMNRUMSC-RBZFPXEDSA-N 404.459 3.961 0 1 HHAF CC=Cc1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356473215 XLISRJBFLZABKA-RBZFPXEDSA-N 404.459 3.961 0 1 HHAF CCCC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]4O[C@@H]2CC(C)=CC[C@@H](O)[C@@]4(C)OC[C@@H](C)[C@H]3C[C@H]1C 2356506356 ASYFQGFROIAMPM-ZNUAKSSDSA-N 406.563 3.880 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCOC)c1 4055630 GXKLACVFJUANKI-PZJWPPBQSA-N 416.905 3.983 0 1 HHAF COc1ccc([C@@H](CCC[C@H](O)CCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 6744947 LPDONRQJLDDGHH-PXNSSMCTSA-N 413.518 3.566 0 1 HHAF CCC[C@H]1CCCc2c1nn(-c1ccc(F)cc1)c2/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 13833987 RUFXULFIYWUOIR-QNBLKDMCSA-N 416.493 3.831 0 1 HHAF Cc1cc2c(c(C)c1CCO)C(=O)[C@@H]([C@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 14594733 XRQNPZAVERMVOM-LVXARBLLSA-N 404.506 3.945 0 1 HHAF biogenic O=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN[C@H]1c1c[nH]c2ccccc12 15266896 ZUARLAYXSWWXPU-OALUTQOASA-N 409.287 3.914 0 1 HHAF biogenic CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c(C4=NC(=S)NC4=O)c(O)n1c23 18011374 VOYIDWUPRXEHNZ-QHCPKHFHSA-N 403.507 3.996 0 1 HHAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@@H](OC(=O)Nc2ccc(Cl)c(Cl)c2)C1 27996343 MAGGGHDMIBZVRG-NVBFEUDRSA-N 418.346 3.571 0 1 HHAF O=C(NCCc1ccccc1)c1nc[nH]c1C(=O)Nc1ccc(Cl)c(Cl)c1 28528594 YQYUCNLDZPMEMN-UHFFFAOYSA-N 403.269 3.941 0 1 HHAF CN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(C23CC4CC(CC(C4)C2)C3)N=C1N 45317147 KKUVYLRKCGXDSS-SYPJPGIQSA-N 407.436 3.784 0 1 HHAF O=C(O)CC[C@@H](O)c1ccc(OCc2cccc(I)c2)cc1 45495948 BSFKWDNGZHWVEL-MRXNPFEDSA-N 412.223 3.768 0 1 HHAF O[C@@H](COc1ccc(Cc2ccccc2)cc1)CSc1nnnn1-c1ccccc1 84709599 JQZCFQSXJWRHLY-NRFANRHFSA-N 418.522 3.785 0 1 HHAF CC(C)CN(Cc1cc(O)c2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccncc1 95554398 NJOAQZNAGFIDRV-UHFFFAOYSA-N 402.516 3.818 0 1 HHAF CC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(F)c4)c3)ccc2n1 95604663 PBUVZOAZZYCRMR-UHFFFAOYSA-N 405.389 3.871 0 1 HHAF O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1nc(Cl)c2ccccc2c1O 96910828 PVDFWPDMZYPBMH-MRXNPFEDSA-N 409.829 3.501 0 1 HHAF CC(=O)Nc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1 103291323 WBAIYBXKTKQLMC-UHFFFAOYSA-N 404.470 3.571 0 1 HHAF COC(=O)COc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=C2C1=C(O)c1ccccc12 103878978 HLBYHFXFNBXBAJ-HXUWFJFHSA-N 419.433 3.555 0 1 HHAF COC(=O)Nc1nc2ccc([C@]3(O)c4ccccc4C(=O)N3C3CCCCC3)cc2[nH]1 136833894 KGRMJELEXWBRNA-QHCPKHFHSA-N 420.469 3.723 0 1 HHAF O=C(c1ccccc1Br)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 166996632 BJKYSIAVJGFRKP-GJZGRUSLSA-N 423.314 3.601 0 1 HHAF Cc1cc(OC[C@H]2CCCO2)ccc1-c1ccc(COc2ncccc2C(N)=O)nc1 169348931 ZHWMDTYHZGHQMK-HXUWFJFHSA-N 419.481 3.688 0 1 HHAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@]1(O)c1ccccc1)CC2 195167892 IGMRUXJGIQSJAC-UMFSSWHCSA-N 422.544 3.952 0 1 HHAF CN([C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1 254051281 PYXREBXMIVNEAI-FQELHTAISA-N 408.514 3.714 0 1 HHAF O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3cccc(Cl)c3)c2N1 299852841 YETPNEJHWRYOOZ-FQEVSTJZSA-N 413.264 3.819 0 1 HHAF CN1CCC[C@H]1c1ccc[n+](CCCCCNC[C@@H]2CCc3ccc(O)cc3O2)c1 473112419 DTUYFIYHCUBCJI-ZEQRLZLVSA-O 410.582 3.600 0 1 HHAF Clc1cnn2c(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc(-c3ccccc3)nc12 587080120 ACFJXSITPRLVID-UHFFFAOYSA-N 413.832 3.569 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn3c(=O)c4ccccc4[nH]c13)CC2=O 587479963 BGFOQZQLLHKRPH-LJQANCHMSA-N 403.438 3.849 0 1 HHAF C[C@@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580565 SENKDUUKDQRVIX-CVDCTZTESA-N 405.406 3.552 0 1 HHAF O=C(O)c1cc2c(c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)OCOC2 587610568 PTMNIORWPMDFMV-PGRDOPGGSA-N 420.373 3.660 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587746820 IALVCFOKWJBQFF-GIGQVBGESA-N 409.299 3.985 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCNCC2)N1 587764368 DWOPOPZXDPRSBG-XCLFUZPHSA-N 404.327 3.621 0 1 HHAF CCOC(=O)CC[C@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587800697 YJSNMTGVOQSSBX-ZMZPIMSZSA-N 416.287 3.526 0 1 HHAF CCN(CC)S(=O)(=O)c1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874805 CMOQLEIZPWPSKG-UHFFFAOYSA-N 415.446 3.514 0 1 HHAF Nc1cccc([C@@]2(CCC(=O)O)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962710202 PMMXJKCFSZFDAR-JTSKRJEESA-N 400.519 3.880 0 1 HHAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@@H]5c4ccc(Cl)cc4)(C2)C3)cn1 1857541261 UKAFCWRUMNMSBA-OSFYOIPJSA-N 408.937 3.918 0 1 HHAF CC=Cc1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc3)c(C)c2c1 2356531241 TWGHXVKHVUGVCO-JYRWFCNUSA-N 410.466 3.648 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(C)=O)=CC[C@@H]1[C@@](C)(CO)CCC[C@@]12C 2356673326 HAGXKCYPEIDCHR-HMWDHGCWSA-N 408.535 3.556 0 1 HHAF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 774887 VFLJJYDORDVHGN-OAHLLOKOSA-N 422.868 3.898 0 1 HHAF CCCCc1nc(C)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 1916103 PTSYCUYFMOIDOC-UHFFFAOYSA-N 400.486 3.790 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCOC)cc1 4207072 NMEOEYFCGCZBEO-CTNGQTDRSA-N 416.905 3.983 0 1 HHAF Cn1cc(C2=C(c3cn(C4CCNCC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 13489984 RELJBNLDXPSLLS-UHFFFAOYSA-N 424.504 3.625 0 1 HHAF CCc1nnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C 13861635 XNIZRYXWWBSVOJ-UHFFFAOYSA-N 410.474 3.872 0 1 HHAF CSc1n[nH]c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(Cl)cc1 14947945 WTTWXUFEJVILJY-UHFFFAOYSA-N 413.933 3.932 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2cccc(C)c2)[C@H]1Oc1ccc(C(=O)O)cc1 27210954 UKJZGCDKZXSZGW-NRFANRHFSA-N 410.470 3.957 0 1 HHAF COC(=O)CN1C(=O)C2(CCN([C@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 28528581 GSLPZHCOJZRJIT-AQNXPRMDSA-N 410.558 3.899 0 1 HHAF COc1ccccc1N1CCN(CCCCCCn2c(=O)[nH]c3ccccc32)CC1 40402066 QVEWUFRBKNHSKU-UHFFFAOYSA-N 408.546 3.721 0 1 HHAF CC(C)(C)OC(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72102364 ULEQEOZRFMIWNW-LJQANCHMSA-N 404.461 3.833 0 1 HHAF CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 82166253 JZPNXWBURIWJKU-UHFFFAOYSA-N 403.442 3.915 0 1 HHAF CCc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnc2cc(C)cnn12 96177977 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3.712 0 1 HHAF Cc1csc(SCc2ccc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2)n1 587021246 KDNLYAFTXJBCLU-UHFFFAOYSA-N 416.553 3.935 0 1 HHAF COC(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1OC 587030110 YCBROLQYQIWKGX-UHFFFAOYSA-N 419.466 3.880 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)ncc4[nH]3)cc12 587038322 QRSFMOYGBCNXKU-QMMMGPOBSA-N 408.409 3.724 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 587125298 DFNRAVXSGXHKHD-MUWHJKNJSA-N 401.190 3.891 0 1 HHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](N1CCS(=O)(=O)CC1)CCC3 587209181 MOFSGQIBGJDOOB-HXUWFJFHSA-N 418.518 3.554 0 1 HHAF Nc1ncc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543785 JKGNVBFCDRJBKU-YJBOKZPZSA-N 413.227 3.835 0 1 HHAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582324 ZQOZILOGEOMRRE-JDGBCZCZSA-N 407.466 3.794 0 1 HHAF C[C@]1(c2ccc3c(c2)OCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593329 ISKHEMMMIRPWQL-NFBKMPQASA-N 403.390 3.600 0 1 HHAF C[C@@]1(c2ccc3c(c2)OCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593333 ISKHEMMMIRPWQL-OFNKIYASSA-N 403.390 3.600 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cncn3)cc2)N1 587762177 XKGGPNDJXLDCOO-BUXKBTBVSA-N 401.283 3.967 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccoc3)CC2)N1 587769722 PIJUZEWEPGQOEQ-GFCCVEGCSA-N 407.283 3.847 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794111 FZWZKANQAMFZOT-WLRWDXFRSA-N 414.315 3.886 0 1 HHAF CN1CCN(C(=O)c2cccc(Nc3ncc(F)c(Nc4ccc(F)cc4)n3)c2)CC1 653778057 KHIUERHSMDLIPH-UHFFFAOYSA-N 424.455 3.630 0 1 HHAF COc1ccc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1NC(C)=O 962762589 JPAIFGDODUSACX-XLIONFOSSA-N 406.404 3.563 0 1 HHAF CC1=CC2(C=C(C)N1CCc1cccc(C(=O)O)c1)NCCc1c(C(=O)O)cccc12 963128423 AAAIUKZFYFSBJH-UHFFFAOYSA-N 418.493 3.790 0 1 HHAF O=C(c1cc2n(n1)CCCN(Cc1ccc(Cl)c(Cl)c1)C2=O)N1CCCCC1 1772573568 WEAUNJUWIXSQEE-UHFFFAOYSA-N 421.328 3.862 0 1 HHAF CC(C)CCCNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1 1857553505 FNEBPJGKFXFLMU-UHFFFAOYSA-N 419.529 3.551 0 1 HHAF C[S@@](=O)c1cccc(-c2ccc3ncc(Nc4ccc([S@](C)=O)cc4)n3n2)c1 1857558605 NNVPUEZNNZTHDO-WUFINQPMSA-N 410.524 3.615 0 1 HHAF Cc1cc(C)c(S(=O)(=O)NC(=O)[C@@H](F)Oc2ccc3ccccc3c2)c(C)c1 1857620321 CEYYYBHLNSKQIQ-FQEVSTJZSA-N 401.459 3.945 0 1 HHAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1cccc(C(F)(F)F)c1 1857746143 ZJXASTQMOGGXDP-UHFFFAOYSA-N 412.169 3.900 0 1 HHAF COc1ccc(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1 1857754513 KLBKAACQFIENRI-OQKWZONESA-N 418.472 3.514 0 1 HHAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CC[C@H](O)C2CCNCC2)cc1 1857762704 ZUAMMZYKUTTYRO-DEOSSOPVSA-N 406.574 3.792 0 1 HHAF CO[C@]1([C@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@@H](C)C=CCCC(C)=CC(=O)O2)O1 2356530703 QFJACOUEVLILBV-KCDUSDJTSA-N 409.548 3.958 0 1 HHAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1Cc1sc(-c3ccsc3)nc1[C@H]2CC(=O)O 2356836527 LBSYNDMDCSIYJE-JEDNSWDISA-N 407.557 3.762 0 1 HHAF CCn1ccnc1CN(C)C(=O)c1cc(COc2ccc(OC)c3ccccc23)on1 12316522 HIQXUEJEYLJKJT-UHFFFAOYSA-N 420.469 3.904 0 3 HHAF CCOc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)cc1 104009436 GSLMNAQPHKHUDK-PBHICJAKSA-N 420.391 3.795 0 3 HHAF O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 205229303 SYWUCFSBFUURBZ-FCHUYYIVSA-N 420.490 3.903 0 3 HHAF O=C1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2456650 QTTWWGQNFHAXLD-QFIPXVFZSA-N 404.397 3.738 0 1 HHAF CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCC[C@H]1CC(=O)O 3949535 TXIWKVXUKOLFMS-ZDUSSCGKSA-N 416.524 3.943 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1 4104583 RQEQFFTZDNRFTL-UPVQGACJSA-N 421.541 3.779 0 1 HHAF COc1ccc(-c2noc(N3CCC(C(=O)N(C)Cc4ccccc4)CC3)n2)cc1 6833691 JRAVHIHZQYNNSL-UHFFFAOYSA-N 406.486 3.620 0 1 HHAF CCOC(=O)CCCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1 13445755 RNNJRKTWDGVQPT-UHFFFAOYSA-N 408.498 3.748 0 1 HHAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)c(Cl)cc12 13860803 GWNOORQNOJDGSH-UHFFFAOYSA-N 420.277 3.988 0 1 HHAF COc1ccc(NC(=O)CCNc2ccnc(NCCc3ccc(F)cc3)n2)cc1 45167059 IQNGVRPQWMTWPM-UHFFFAOYSA-N 409.465 3.720 0 1 HHAF Cc1ccc(C2=NN[C@@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 49045781 GJXRCQUWMGJZHI-PJODQICGSA-N 400.326 3.906 0 1 HHAF COC(=O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O 72125711 ITOCTEVTMRCLTO-AATRIKPKSA-N 410.451 3.545 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccccc1[C@@H](NC(=O)C(F)(F)F)C[C@H]2O 84604638 MISWPTCEGRYQCL-UONOGXRCSA-N 411.376 3.536 0 1 HHAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H]1CO 95878210 ISQXQAWAXZZFSD-ATZDWAIDSA-N 419.294 3.602 0 1 HHAF Cc1cccc(C)c1-c1cc(C)c2nc(NCCCN3CCN(C)CC3)nnc2c1 96167693 SFFOEQIHURNSLV-UHFFFAOYSA-N 404.562 3.666 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cncc5ccccc45)ccc31)[C@@H]1CC[C@H](C2)N1 96175284 YIZXRNQFEZFWPC-BEFAXECRSA-N 403.507 3.909 0 1 HHAF COCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 110615385 ZFWXAHWYXPVAKP-LEWJYISDSA-N 419.433 3.670 0 1 HHAF COc1c2ccoc2c(OC/C=C(\C)CC[C@H](O)C(C)(C)O)c2oc(=O)ccc12 142259233 SHNUWMDCCQKKKN-WQMJKPAKSA-N 402.443 3.785 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(=O)OC(C)(C)C)cn1 142544779 LYUGOMIBUDUOBQ-UHFFFAOYSA-N 423.469 3.696 0 1 HHAF COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC 147810065 YPLGAXLOFMRMBR-UHFFFAOYSA-N 415.449 3.992 0 1 HHAF COC(=O)c1cc(Br)cnc1N1CCC(NC2CCC(C)CC2)CC1 169340950 DRRFYFNTLGUXFK-UHFFFAOYSA-N 410.356 3.768 0 1 HHAF CC(C)COc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707204 AGMWKWWOGJAFPK-GOSISDBHSA-N 418.497 3.649 0 1 HHAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(Cl)c(Cl)c1 221678108 WFOPXBRBZHRGKH-ATEUNZGCSA-N 415.252 3.802 0 1 HHAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 587154927 VJZBWHNLEMSREU-UHFFFAOYSA-N 403.826 3.565 0 1 HHAF C[C@@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344219 WMJNNINLCPUMSC-GMAHTHKFSA-N 416.412 3.781 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 587387314 ORPWMXFWQWJNQR-JXFKEZNVSA-N 418.534 3.869 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCC(C(=O)O)CC4)cc1)[C@@H](C2)C3=O 587439468 UJTZGFQKUYSRJY-CYFREDJKSA-N 407.466 3.659 0 1 HHAF COC(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570414 WSDRZENJTFBCDF-NZQKXSOJSA-N 408.381 3.952 0 1 HHAF O=C1C[C@]2(C[C@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597071 RWCKDHRLEFALDY-JKHABCDFSA-N 401.418 3.744 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccn(C)n2)(C(F)F)N1 587723038 UVUFQJRNFQTFEL-XLFHBGCDSA-N 416.241 3.589 0 1 HHAF NC(=O)c1cccc(COc2ccccc2-c2ccn([C@H]3CCCC[C@@H]3O)c(=O)c2)c1 653699579 BPKXAMAFSNMFHT-VXKWHMMOSA-N 418.493 3.669 0 1 HHAF CNC(=O)c1cccc(OCCCCN2CCN(c3nsc4ccccc34)CC2)c1 653871500 DGEARUMAQJGDTJ-UHFFFAOYSA-N 424.570 3.637 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693057 BZLXJJHCRIBYBM-RADWXHQJSA-N 407.551 3.953 0 1 HHAF C[C@@]1(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccsc2CCN1C(N)=O 962718076 YJFZFFCGAPKNLG-QGZVFWFLSA-N 413.421 3.828 0 1 HHAF CCCn1cc([C@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1 963138934 IUCLHCXENUWICV-MGPUTAFESA-N 420.535 3.568 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H](O)c2ccccc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963607683 JXWGDWUNUFFFOC-XKPFWTEKSA-N 413.514 3.510 0 1 HHAF CC(=O)c1c[n+](Cc2ccccc2C)ccc1C[C@H]1Cc2cc3c(cc2C1=O)OCO3 1772575172 PFASLSOBNPNVOU-NRFANRHFSA-N 414.481 3.860 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc2c(c1O)C[C@H](O)[C@H](c1ccc(O)cc1)O2 1857549177 ICAKMJOAKYCHRZ-RDPSFJRHSA-N 406.434 3.656 0 1 HHAF COc1ccc(C(=O)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1 1857596731 FINSUAZXABJLRF-UHFFFAOYSA-N 421.476 3.846 0 1 HHAF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccccc3F)cc2)cc1 1857747551 VTXZCTPDWDIJJC-UHFFFAOYSA-N 412.486 3.543 0 1 HHAF CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 1906924 CNVKZYLQZYULJV-UHFFFAOYSA-N 413.339 3.824 0 1 HHAF in-vitro CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4206509 MNTPHJWHNWYWKX-IEBWSBKVSA-N 405.951 3.951 0 1 HHAF OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3cccc(F)c3)CC2)CC1 22926652 UBLDIZUBBFFSMT-UHFFFAOYSA-N 412.505 3.502 0 1 HHAF OC1=NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccccc32)CC1 26382307 FBEYCJGEXYBVOE-XZOQPEGZSA-N 424.976 3.764 0 1 HHAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn([C@H]2CCCNC2)c2ncccc12 28862338 DJHAAKDZLZSXFT-AWEZNQCLSA-N 409.433 3.812 0 1 HHAF COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 34270928 XNZCLYWXYVRFOT-UHFFFAOYSA-N 417.462 3.696 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(N[C@H]3CCCNC3)cc12 35285098 BXTSSVZPGLGHJO-KRWDZBQOSA-N 406.511 3.713 0 1 HHAF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1C[C@@H](I)[C@@H]2O 40843306 NPYAZDAEDMDKIX-UOGFVUTJSA-N 400.300 3.903 0 1 HHAF CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181030 WTMVAAVHVHAADB-SFHVURJKSA-N 408.525 3.982 0 1 HHAF COC/C(=C\C(C)=C\COc1c(OC)cc(/C=C/CO)cc1OC)CC(C)(C)O 95913824 DFXCOBVZELPWHS-NTCMAMCGSA-N 406.519 3.768 0 1 HHAF biogenic,in-vitro CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(Cn4ccnc4)cc3)n2n1 103207234 CZNZIARHXBPZPY-UHFFFAOYSA-N 413.460 3.812 0 1 HHAF COc1ncccc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 103249669 GKRSPFIAPYYIFZ-CYBMUJFWSA-N 406.421 3.594 0 1 HHAF COCCCN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1 144212444 QJMRIGXBRHXYSP-UHFFFAOYSA-N 416.485 3.872 0 1 HHAF N[C@@H]1CC[C@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]2C1 169344304 XBHGTEQGRIWAQJ-CENXUZMRSA-N 413.873 3.807 0 1 HHAF CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 206993480 YFFAMHITDBOYET-UHFFFAOYSA-N 403.544 3.849 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc(F)c3[nH]2)cc1 586941656 UPCCYZADESHTAP-VOTSOKGWSA-N 424.295 3.863 0 1 HHAF CN1CCN(c2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)CC1 587080138 NCKGTWCATDGFSG-GOSISDBHSA-N 408.937 3.692 0 1 HHAF CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1OC(F)F 587131048 UFJPKOZPKXBNBZ-YWEYNIOJSA-N 410.398 3.980 0 1 HHAF COc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc(OC)c1C 587275958 HUHAGLWVKWVBHH-UHFFFAOYSA-N 406.232 3.639 0 1 HHAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H](N(Cc1ccccc1)Cc1ccccc1)C3 587371140 ZYUUIMKKIAEGDG-FQEVSTJZSA-N 412.493 3.996 0 1 HHAF CCCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409980 OXRYLTCVICNWEZ-NRFANRHFSA-N 402.516 3.536 0 1 HHAF C[C@H](Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(=O)O 587594418 KVDNXBYXSMIYGR-NCNFXNTHSA-N 406.390 3.947 0 1 HHAF COCCCN1CCc2ccc(OC)cc2[C@]1(CC(=O)C(F)(F)F)c1ccncc1 961324934 OMXXJICDIIXAKG-NRFANRHFSA-N 422.447 3.750 0 1 HHAF O=C(O)c1cccc2c1CCN[C@H]2c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 963152124 UFXPGEQPLRHKPQ-IBGZPJMESA-N 417.387 3.763 0 1 HHAF Cc1cn(C2CCN(CCc3cccc(Oc4ccccc4)c3)CC2)c(=O)nc1O 1772610346 GKDLHHOBBHDQIW-UHFFFAOYSA-N 405.498 3.929 0 1 HHAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1857564419 MPRZOKLPIVROML-UHFFFAOYSA-N 409.773 3.585 0 1 HHAF COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2 2356702404 BKXFJODAEBHQRW-NVXDSCFRSA-N 412.482 3.801 0 1 HHAF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc(O)c(OCN3C=C4N=CC=C4C3)c2)CC1 2356876092 ZVGKTDSIMVSATQ-YIGJPRQDSA-N 422.525 3.751 0 1 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 36378248 FRAXAVQCOUNARD-BULFRSBZSA-N 400.482 3.782 0 3 HHAF Cc1ccc(S(=O)(=O)N2Cc3cc(-c4ccccc4)ccc3-n3nncc3C2)cc1 72138277 OHDZTUMQTAIOIP-UHFFFAOYSA-N 416.506 3.947 0 3 HHAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1F 3940802 ZGXUCMQIVLIZTA-DMPNSMEDSA-N 410.526 3.683 0 1 HHAF COCCN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@@H]1c1c[nH]c2ccccc12 4922127 OIAFANMNBMBJDZ-VXKWHMMOSA-N 405.498 3.620 0 1 HHAF CC(C)(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1Cl 13447217 UDCLQTAISUBDFD-CYBMUJFWSA-N 403.306 3.509 0 1 HHAF O=c1[nH]c2cccc(N3CCN(Cc4ccc(O)c(-c5ccccc5)c4)CC3)c2o1 26469466 AIPVMDNBQLPSHM-UHFFFAOYSA-N 401.466 3.816 0 1 HHAF CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 28522950 UYFOANFUTFLIOV-YEHREXKJSA-N 416.521 3.819 0 1 HHAF COc1ccc(CCOC(=O)C2=C(c3ccccc3OC)CCN(C)C2)cc1OC 95595672 YLPHXYUHNMSWJA-UHFFFAOYSA-N 411.498 3.587 0 1 HHAF O=C(Cc1ccncc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95878643 FYKRKSAHPADLCF-HFRGRHLUSA-N 417.484 3.806 0 1 HHAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100307167 WIYUZYBFCWCCQJ-CGIBELHQSA-N 414.505 3.573 0 1 HHAF COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100779908 USYOOQFISINJLZ-GFBMGVRLSA-N 406.519 3.959 0 1 HHAF endogenous,in-man CC(=O)c1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 144512217 OYGSEFBFVRJGJU-UHFFFAOYSA-N 403.486 3.850 0 1 HHAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H]2CCCO2)n1 223523513 QHGSAFVGZFAKMW-QINHECLXSA-N 415.501 3.683 0 1 HHAF CC(=O)OCc1c(-c2ccccc2)oc2ccc(NC(=O)c3cnccn3)cc2c1=O 299863086 KONBUIZIZCNNCQ-UHFFFAOYSA-N 415.405 3.565 0 1 HHAF COc1cc(N=c2[nH]c(C(N)=O)c(NC(=O)c3ccsc3)s2)cc2ccccc12 473165230 SLBHZMMXTCXXGX-UHFFFAOYSA-N 424.507 3.883 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)cnc2[nH]1 586956738 UGJDENFZVOMZMB-UHFFFAOYSA-N 420.494 3.693 0 1 HHAF CC(C)Oc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br 587250749 YQCKPDHXHYTROF-UHFFFAOYSA-N 404.264 3.984 0 1 HHAF CCOC(=O)N1CCN(c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587399678 MTRDTIZOOCEBPY-OAQYLSRUSA-N 409.486 3.562 0 1 HHAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O 587791432 IKHFRRYBTUKGKJ-MGNBDDOMSA-N 424.266 3.684 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@@H](C)C2 962572340 JUVLMNMVPLYRBR-IVCQMTBJSA-N 422.525 3.819 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(Cn3ccnc3)cc2)N1 962974988 XDPIOXMGPAXFBB-VQIMIIECSA-N 403.816 3.551 0 1 HHAF COc1c([C@H]2NCCc3cc4cccc(OC)c4nc32)ccnc1Br 963055869 LUGXHHFRBGUBIB-QGZVFWFLSA-N 400.276 3.645 0 1 HHAF COc1ccc(Br)nc1[C@H]1NCCc2cnc3c(OC)cccc3c21 963059728 UGSAQHKQWLROPU-IBGZPJMESA-N 400.276 3.645 0 1 HHAF COC(=O)C[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963166119 CKJDTQHRLAAASA-APPDUMDISA-N 407.816 3.762 0 1 HHAF O=C(Nc1ccccc1)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772575115 JNWBZUPTYKLVBI-LJQANCHMSA-N 422.868 3.957 0 1 HHAF Cc1nc2cc(-n3cc(COc4ccccc4)nn3)ccc2c(=O)n1-c1ccccc1 1857572346 PWUYEIJVMBBNKA-UHFFFAOYSA-N 409.449 3.854 0 1 HHAF O=C(CCc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1 1857601252 OPTKZYQRQVFXQB-UHFFFAOYSA-N 424.478 3.757 0 1 HHAF c1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 19346990 YEJHRWFRUUSJMJ-FYYLOGMGSA-N 417.561 3.596 0 3 HHAF CCCNC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2110030 JSFPUPTVXOUJJX-XMMPIXPASA-N 416.481 3.548 0 1 HHAF biogenic CCc1nn([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc3occc3n12 5149698 FEPPZNNNSHTLLB-HOTGVXAUSA-N 406.486 3.503 0 1 HHAF C[C@@H](NC(=O)[C@]1([S@@](C)=O)[C@@H](C)C1(Cl)Cl)c1ccc(Br)cc1 12504362 VMASMYSTIDDLTO-JOSUJJRFSA-N 413.164 3.567 0 1 HHAF in-vivo CCn1c(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc2sccc21 20355641 SRFHAEYQIGZUHS-UHFFFAOYSA-N 410.587 3.660 0 1 HHAF C[C@@H]1CN(CCN(C)C(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 27559133 ICALOHJSRJGEMV-KBMIEXCESA-N 410.558 3.789 0 1 HHAF O=C1COc2ccc(CC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1 28340058 JESLIPCZKNHJMZ-UHFFFAOYSA-N 417.509 3.899 0 1 HHAF Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 28380898 OKIVGPUCUWMOIH-UHFFFAOYSA-N 424.932 3.966 0 1 HHAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)OCC23CC4CC(CC(C4)C2)C3)cc1 29400143 YSIUGVQECHLPDW-APNVUFTPSA-N 415.574 3.726 0 1 HHAF O=C(Cc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 40575479 NXZPEUWORYYMBP-UHFFFAOYSA-N 409.511 3.888 0 1 HHAF CC(=O)c1ccc(NC(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)cc1 45195892 NGFAPVXCHHCTKK-UHFFFAOYSA-N 403.486 3.833 0 1 HHAF O=c1c2cccc(COc3ccc(-c4cc(F)c(F)cc4F)cc3)c2[nH]n1CCO 96269820 VXTOHGSPKNPZOC-UHFFFAOYSA-N 414.383 3.985 0 1 HHAF COc1ccc2c(c1)CCc1c(-c3ccc(OCCN4CCCC4)cc3)nc(N)nc1-2 96935146 WDWWEAMPRRKLGH-UHFFFAOYSA-N 416.525 3.975 0 1 HHAF CSCC[C@@H](C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O 101268364 DGRZESHMUBNKJP-FMKFIRIRSA-N 414.571 3.832 0 1 HHAF C[C@@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(N)=O 101507835 ILYAOAUUXVJZJV-YJNKXOJESA-N 404.511 3.571 0 1 HHAF CN1CCC(Oc2cc3c(cc2N)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC1 114801523 YSJMGPQDQGGUHD-UHFFFAOYSA-N 414.509 3.965 0 1 HHAF CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2F)CC1 115624017 TYTXIUBXQWCGFL-UHFFFAOYSA-N 421.520 3.908 0 1 HHAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 169308091 JNKULAKTGYKDIS-GDLZYMKVSA-N 404.491 3.763 0 1 HHAF CN1[C@H](c2ccc(F)cc2)c2cc(Br)c3cccnc3c2NS1(=O)=O 205625618 WXTBMOHULDXLML-QGZVFWFLSA-N 422.279 3.828 0 1 HHAF COc1ccc([C@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cn1 206338356 WBEBINCDHKIBOJ-LJQANCHMSA-N 403.467 3.870 0 1 HHAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccc4c(c3)OCO4)C[C@H]2CS1 221143117 XSZCWRBFBYRUFB-TUIFFPIZSA-N 404.438 3.728 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CC(=O)Nc5ccccc54)ncc23)ccn1 261098733 FWAMNNOQRWENJI-KRWDZBQOSA-N 413.441 3.533 0 1 HHAF Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1 473124831 XGOVWOMAPLBWDT-ZSOGYDGISA-N 415.423 3.614 0 1 HHAF CSc1sc(-c2nc3c(N)ccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920067 LFNBRIFKTGEXTO-UHFFFAOYSA-N 402.954 3.826 0 1 HHAF Cn1nnc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1C(F)F 587128112 GOHZAOXZLUFVPV-UHFFFAOYSA-N 412.116 3.957 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)C(F)(F)C1 587133172 ZGLWJZJBCVESNY-ZETCQYMHSA-N 421.217 3.829 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 587183237 WYHMACIXSNOROW-SNVBAGLBSA-N 409.275 3.974 0 1 HHAF COC(=O)c1cc(I)c(-c2cc3c4c(cccc4n2)CC3)[nH]1 587212290 FRNISVHEWDBSAI-UHFFFAOYSA-N 404.207 3.720 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 587229925 DKWCLSOWJJSXBR-UONOGXRCSA-N 408.340 3.979 0 1 HHAF COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394936 LQNWPIPFWYYACI-GOSISDBHSA-N 416.437 3.708 0 1 HHAF COC[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617423 PLRYGHOJGWHSEE-OFNKIYASSA-N 414.454 3.672 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ncn2C)N1 587679077 FAUPXVZHVTVVHN-MADCSZMMSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)n2C)N1 587684423 QQWAMEHRNYXYQA-FUXBKTLASA-N 403.093 3.708 0 1 HHAF OCCCNc1nccc(NCCCCNc2ccnc3cc(Cl)ccc23)n1 653870658 BQKJOCMAOFTMAY-UHFFFAOYSA-N 400.914 3.777 0 1 HHAF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)Nc1ccccc1 653890283 OOBUMGXGIDIWFF-UHFFFAOYSA-N 416.506 3.765 0 1 HHAF COc1ccc(C[C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cn1 963174414 GKLLRLISTHDXKL-ACJLOTCBSA-N 414.811 3.819 0 1 HHAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C(C)C)cc2)[C@H]1NC(C)=O 1857768975 HXJASFDHGDZRGA-YTFSRNRJSA-N 416.562 3.761 0 1 HHAF COCC=Cc1cc(O)c2c(c1)[C@H](OC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2 2356341726 VFTDNPJBQZEZGN-UNMCSNQZSA-N 400.427 3.807 0 1 HHAF CCC[C@H](O)C[C@H](O)CC(=O)CCc1ccc(O)c(OCn2cc3cc[nH]c3c2)c1 2356359589 NZVYQXWYPUMYQY-ICSRJNTNSA-N 414.502 3.515 0 1 HHAF Cc1cc2c(o1)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]2CN1CC[C@@H](O)C1 3775441 SNCWTLUHFUIVAC-BEFAXECRSA-N 423.340 3.630 0 1 HHAF O=[S@](Cc1cc(OCC(F)(F)C(F)(F)F)ccn1)c1nc2cscc2[nH]1 13448706 FFCIBOKXBUJUQN-SANMLTNESA-N 411.377 3.904 0 1 HHAF CC1CCN(C(=O)COc2ccc(Nc3nccc(-c4ccncc4)n3)cc2)CC1 26648679 DFMRJXAANFPMNE-UHFFFAOYSA-N 403.486 3.920 0 1 HHAF O=C(O)[C@H]1CN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC[C@@H]1O 27424355 AYQVPJIMSWHWEE-OALUTQOASA-N 424.324 3.867 0 1 HHAF CCNC(=O)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21 38142831 VHLHUSFMUKBTIU-UHFFFAOYSA-N 405.502 3.825 0 1 HHAF O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCC[C@H](OCCCN2CCOCC2)C1 43067079 YPUVSUVAEBMZCZ-ASNNBCDXSA-N 418.622 3.759 0 1 HHAF COc1cc2nc(N3CCSCC3)nc(NCc3cccs3)c2cc1OC 82119625 LMYTUBFFQHDERI-UHFFFAOYSA-N 402.545 3.874 0 1 HHAF O=C(c1cccnc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95878260 ZNNUAEVOKNTBIG-VJBMBRPKSA-N 403.457 3.878 0 1 HHAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC[C@@H]2c2ccccc2)C1 143941843 DLDDLRPZHCIYSM-OAQYLSRUSA-N 424.508 3.934 0 1 HHAF O=C(Nc1ccc(C(=O)N2CC[C@]3(CCCCN3)C2)cc1)N1Cc2ccc(F)cc2C1 166970385 JYULRJSRTLWNEE-XMMPIXPASA-N 422.504 3.732 0 1 HHAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCc4nnn[nH]4)c3)o2)cc1 169353068 NBZZBMPISQHWBG-UHFFFAOYSA-N 403.446 3.577 0 1 HHAF Cc1cc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)ccc1NS(C)(=O)=O 204673543 AOQDFZWQQJRBBN-UHFFFAOYSA-N 400.481 3.795 0 1 HHAF O=C(c1nc2sc3c(n2c1Cl)CCCCC3)N1CCN(C2CCCC2)C(=O)C1 299852599 VCVGUFVAJDIBCP-UHFFFAOYSA-N 420.966 3.545 0 1 HHAF O=C(O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586945521 IGTQDNAKFGLGOH-UHFFFAOYSA-N 419.509 3.530 0 1 HHAF COC(=O)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cn1 587184788 WJDKFKQDCIRMAB-AATRIKPKSA-N 405.195 3.520 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)O2 587406296 AVWSXLQRBZRQTH-BVGQSLNGSA-N 405.491 3.553 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)nc2)N1 587687245 YNAJILKUAABWSL-CPFSXVBKSA-N 401.077 3.764 0 1 HHAF COC(=O)c1ccc(C=O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587809112 QLBMOVDQXQEGHG-MLCYQJTMSA-N 406.251 3.811 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NS(C)(=O)=O)cc2)N1 587840907 OEWCWZITZRITMK-BTDLBPIBSA-N 413.312 3.583 0 1 HHAF CN1CC[C@@H](N(C)C[C@H]2CCN(c3ncnc4scc(-c5ccccc5)c34)C2)C1 653665973 OAGQMQRJPNEZHJ-IEBWSBKVSA-N 407.587 3.821 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(N1)C(=O)Nc1ccc3ccccc3c12 962981584 VHQIEWNRCUBDFN-QVKFZJNVSA-N 414.795 3.566 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)c1c(C)nn(CC)c1C)C(=O)OC 963234150 UYDXCXUVQBMNDI-FYSMJZIKSA-N 411.546 3.818 0 1 HHAF CCC[C@H](C)C[C@@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963705985 SSKXYETWOQXXFK-YWQVJIEVSA-N 424.541 3.668 0 1 HHAF Cc1ncc([C@@H](CNC(=O)c2c(Cl)cccc2Cl)N2CCC(F)CC2)cn1 1772578731 KOAOVLJTWMKRFS-QGZVFWFLSA-N 411.308 3.997 0 1 HHAF Nc1ncc(C2=CCOCC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772629097 LCSOBMURMYVTNQ-UHFFFAOYSA-N 404.445 3.599 0 1 HHAF C[S@](=O)c1cccc(Nc2cnc3ccc(-c4cccc([S@](C)=O)c4)nn23)c1 1857542618 XWPWVNMKBKNICN-NSOVKSMOSA-N 410.524 3.615 0 1 HHAF N[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH]nc(N=c4cc[nH]c5ccccc45)c3c2)C1 1857635097 WMTMGJGKUYYPKR-LSDHHAIUSA-N 400.486 3.733 0 1 HHAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccc(C(F)(F)F)cc1 2356604085 RZBGEYNTIZUXMF-GGPKGHCWSA-N 409.496 3.632 0 1 HHAF COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 36388494 DPASTKQTSGIOCS-XJKSGUPXSA-N 410.392 3.621 0 3 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 770008 SYWZTUBLCPQTJW-LADGPHEKSA-N 414.509 3.743 0 1 HHAF C=CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)C1=O 6613928 QTCYEMIFHQAJBJ-DENIHFKCSA-N 405.885 3.692 0 1 HHAF biogenic COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ocnc1Cc1ccccc1 12354280 KZOZQRQBVCYVAP-UHFFFAOYSA-N 407.470 3.794 0 1 HHAF COc1cccc(NC(=O)N[C@H]2CCC[C@@H](NC(=O)Nc3cccc(OC)c3)C2)c1 13493804 FNTAEIPCZBYVBU-IYBDPMFKSA-N 412.490 3.958 0 1 HHAF C=CC[C@]12C[C@H](OC)C(=O)C(OC)=C1O[C@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C 14856206 HUPGTAGQEXENPN-REBCRNGASA-N 402.443 3.540 0 1 HHAF biogenic Cc1ccc2c(c1)OC[C@@H](CN1CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC1)O2 27903133 YERPABGENYVQAD-QGZVFWFLSA-N 413.905 3.768 0 1 HHAF CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)c2ccc(N(C)C)cc2)OC1=O)CC 40915289 JMKDPOCHTLWPTO-YUVJBQAMSA-N 403.519 3.730 0 1 HHAF COc1ccccc1C(=O)NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1 42889253 KAXFGZPRRJXVBS-UHFFFAOYSA-N 415.537 3.697 0 1 HHAF CC(C)(C)OC(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72102818 SMONWSZCPIORLD-LJQANCHMSA-N 404.461 3.833 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)NCC(=O)NCCC2=CCCCC2)cs1 82072033 WFEHDFZJOPYOSA-UHFFFAOYSA-N 413.543 3.945 0 1 HHAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 82209454 HGZMNGGMWNRIQN-SFHVURJKSA-N 424.570 3.983 0 1 HHAF CCc1nc2cc[nH]c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21 95581014 IHAFCRASQNQUNB-FQEVSTJZSA-N 423.480 3.670 0 1 HHAF CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H]1CO 95878451 YTRWLKBZDOOEIO-ZTCOLXNVSA-N 417.484 3.902 0 1 HHAF O=C(O)C1CCC(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1 115731030 BZJHTCNPHGTRNV-UHFFFAOYSA-N 411.520 3.969 0 1 HHAF O=C1COc2ccc([C@@]3(O)c4ccccc4C(=O)N3Cc3cccc(Cl)c3)cc2N1 116257834 MCSQGGVPYHUPET-HSZRJFAPSA-N 420.852 3.520 0 1 HHAF COc1ccc2c([S@@](=O)Cc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1 139678221 QYCYUTUBUKMNQA-SSEXGKCCSA-N 415.478 3.656 0 1 HHAF CN(C)c1cccc(C(=O)NCCCCCCNC(=O)N2Cc3ccccc3C2)c1 166256002 ZLCMNMFDJXYVFE-UHFFFAOYSA-N 408.546 3.768 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(F)c2[nH]1)C(C)C 586933883 ZCTVYVMXXNGZLA-ZDUSSCGKSA-N 406.321 3.881 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@H]2CCCC[C@H]21 586961631 SIGTTYCKSPEPTO-YUELXQCFSA-N 417.922 3.701 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(-c3ccnc(OCC(F)(F)F)c3)nc-2[nH]1 587090989 DJKZFNXYMMGECP-UHFFFAOYSA-N 416.363 3.625 0 1 HHAF C[C@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537921 BTKQAUUJQDLWEG-KXBFYZLASA-N 413.227 3.822 0 1 HHAF COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587589864 AXCIBMKXOVVUMS-SRDOKRBCSA-N 402.402 3.910 0 1 HHAF Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c(C)c1Cl 587651175 DWWXUVWJYHHSMT-UHFFFAOYSA-N 417.252 3.846 0 1 HHAF CCOC(=O)/C(=C/N(C)C)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757997 VZSZVHGINILEPN-UIELJEEISA-N 413.331 3.736 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCNCC2)N1 587768377 UYLUNXKLFFDVKO-XCLFUZPHSA-N 404.327 3.621 0 1 HHAF CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587794251 GINCMRSFKKXIIV-MJCKAROISA-N 412.299 3.640 0 1 HHAF C=C1C=C(C)n2c(c(Cc3cccs3)c(=O)n2CC(=O)c2cccc(OC)c2)N1 958026589 RMINMMBMUUIDHX-UHFFFAOYSA-N 407.495 3.994 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@@]3(CC(=O)c1ccccn1)C(F)(F)F 963044114 BZJKTGULHFKWIN-HXUWFJFHSA-N 401.388 3.815 0 1 HHAF CCc1cc(C)cnc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963131699 AXIZJLQYZWTSIA-GOEBONIOSA-N 403.504 3.745 0 1 HHAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CC1CC1)C2 1772628565 HHQYIHXGNAJJHF-UHFFFAOYSA-N 404.923 3.913 0 1 HHAF CCN1CCN(CCCOc2cc3c(-c4ccccc4)cc(=O)oc3cc2OC)CC1 1772634904 DGVNCPIVCCTPIC-UHFFFAOYSA-N 422.525 3.875 0 1 HHAF O=C1C=C[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2C=CCCC[C@H](CCOCc2ccccc2)O1 1857626498 NNPOPIWCZIERSZ-PFDCGNQRSA-N 400.515 3.549 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2nccs2)CC[C@@]1(C)O 2356289636 PUVIKKRNTKUTEP-QWFCFKBJSA-N 407.605 3.824 0 1 HHAF COC(=CC(=O)N1C(=O)C=C[C@H]1CC(C)C)CCNC(=O)CCCCC(C)(C)C 2356335177 VKIGEMQNRQJTHS-SFHVURJKSA-N 406.567 3.969 0 1 HHAF O=C1[C@@H]([S@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 27864042 TZQGTALDABUEJY-BXOOBUKZSA-N 409.482 3.979 0 1 HHAF Cc1ccccc1OCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 28381133 XPMRLHLSPZPQSA-UHFFFAOYSA-N 404.514 3.621 0 1 HHAF COCn1cc([C@](O)(C(=O)O)C(F)(F)F)c2ccc(OCc3ccccc3)cc21 28961338 TUQUULVRWWBLTM-IBGZPJMESA-N 409.360 3.659 0 1 HHAF CCOc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1 40848777 RHOBULLAEWICTP-UHFFFAOYSA-N 418.501 3.507 0 1 HHAF CCN(CC)CCOc1cc2oc(-c3ccc(OC)cc3)cc(=O)c2c(O)c1OC 40939109 PSCYMPQUKYAEBS-UHFFFAOYSA-N 413.470 3.903 0 1 HHAF CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cccc(OC)c4)c3)ccnc12 43016572 LVNMQZPNEQWUKM-UHFFFAOYSA-N 416.437 3.834 0 1 HHAF Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccn4ncnc(N)c34)cc2)c1 84668510 GVHVALQJSOXQPV-UHFFFAOYSA-N 401.430 3.516 0 1 HHAF CC1(C)Oc2ccc(-c3ccnc(Cl)c3Cl)cc2[C@]2(COC(N)=N2)C12COC2 148948743 SEAPOZKSVDOWPZ-HXUWFJFHSA-N 420.296 3.783 0 1 HHAF COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)nn34)ccnc2c1 166073453 PBVZPWKZBNSAGG-UHFFFAOYSA-N 404.455 3.692 0 1 HHAF CC(=O)[C@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(Br)cc1 169693990 UHNBEZJCHGCWAS-HZPDHXFCSA-N 419.275 3.597 0 1 HHAF C[C@]1(c2cc(N[C@@H]3CCc4cc(Cl)cnc43)ccc2F)N=C(N)COC[C@@H]1F 169702874 LLVAUXCCVYNQFH-FUHIMQAGSA-N 406.864 3.914 0 1 HHAF NC1=N[C@](CF)(c2cc(NCc3nn(C(F)F)cc3Cl)ccc2F)[C@H]2C[C@H]2O1 220654526 KMTJPQQMWNENRF-NCAQKEMTSA-N 417.794 3.581 0 1 HHAF NC1=N[C@@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@@H](CCC(F)(F)F)C21CCC1 220716792 DSTJFWHEXWTHCF-PXNSSMCTSA-N 418.419 3.958 0 1 HHAF Cc1ccc(-n2cnnc2SCc2nc3c(S)nc(S)nc3[nH]2)cc1Cl 586968111 NEFMOVLORAVLEL-UHFFFAOYSA-N 421.964 3.765 0 1 HHAF COC(=O)c1cc2nc(-c3nc(Cl)cnc3N)[nH]c2c(F)c1Nc1ccccc1 587086009 BPIWHXRNHILPPU-UHFFFAOYSA-N 412.812 3.925 0 1 HHAF NS(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587094581 CLRAUZNCMUGZIS-UHFFFAOYSA-N 409.311 3.915 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O 587450087 DHDWPISGOIUUBV-LZDHAAFVSA-N 404.491 4.107 0 1 HHAF CC(C)(C)OC(=O)N1CC(F)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587554951 JXXNTJIUPGZGAR-VQIMIIECSA-N 415.417 3.681 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594293 NYQMKGZWMYCGAO-ROKPMTFOSA-N 402.402 3.606 0 1 HHAF CCN(C(C)=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587615605 XHYIPDPATLHIDQ-FXAWDEMLSA-N 410.451 3.924 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587696420 KHQHDDWNFCPHRC-LZVRBXCZSA-N 409.686 3.996 0 1 HHAF COc1ccc(-c2ccc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2)cc1OC 587928845 NLSQMZVAXXCSDC-UHFFFAOYSA-N 409.467 3.562 0 1 HHAF COc1ccc(-n2cc([C@@]3(c4ccccn4)NCCc4cc(C)c(F)cc43)nn2)cc1 962094660 UJZMFRLCJBNKFE-XMMPIXPASA-N 415.472 3.556 0 1 HHAF CC(=O)c1ccc2c(c1)[C@@]1(CCC[C@H](C)C1=O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962621257 CGHCKOYVFSETMQ-PUMRXTBWSA-N 415.486 3.720 0 1 HHAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cccnc2-c2cccnc2)N1 962626663 DBSODTCETBYQKZ-PKOBYXMFSA-N 415.371 3.731 0 1 HHAF C[C@]1(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccsc2CCN1C(N)=O 962718074 YJFZFFCGAPKNLG-KRWDZBQOSA-N 413.421 3.828 0 1 HHAF Cc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963024373 MZVLHQKENYCTRA-KIRVVWFBSA-N 404.510 3.793 0 1 HHAF Cc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963024379 MZVLHQKENYCTRA-MQDRFIBZSA-N 404.510 3.793 0 1 HHAF COc1cccc(-c2nc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)co2)c1 963217997 BJJKAHOCQIBQEH-FPOVZHCZSA-N 401.422 3.587 0 1 HHAF COc1ccc([C@]2(c3c(Cl)ncnc3Cl)NCCc3ccc(O)cc32)cc1 963343438 WCIRXEHPZJDCKL-FQEVSTJZSA-N 402.281 3.935 0 1 HHAF Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)NCc4ccsc4)c(F)c3)c2)cn1 1772599153 FVSVEBRKCRYWMP-UHFFFAOYSA-N 407.474 3.862 0 1 HHAF CCc1ccc(-c2cn([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)cc1 1857643729 DQHXMWBVEJTGEZ-IVZQSRNASA-N 424.455 3.526 0 1 HHAF COc1ccc(Cl)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1857747824 UTBYOGUMHBRUQS-SNVBAGLBSA-N 403.287 3.751 0 1 HHAF CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C 2356618745 GCQMZZDJVNUQJV-MOBFWYBXSA-N 408.535 3.998 0 1 HHAF C=C1C2=C(Cc3occc31)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@]1(O)C[C@@H]2OC(C)=O 2356672712 VBLHHNLILNJNIZ-HBUYNFGHSA-N 414.498 3.970 0 1 HHAF COc1cc(NC(=O)c2cnc(N)o2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 13682497 IHKCCTBYRVJSIN-UHFFFAOYSA-N 420.347 3.789 0 3 HHAF Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 20121784 WUZZBYHDTSHXFT-QHCPKHFHSA-N 420.536 3.835 0 3 HHAF CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCC1)C2 95602023 KPNAJVRPHFRICY-NLFFAJNJSA-N 424.541 3.665 0 3 HHAF NCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 3806358 ONXYROFDTAKFHY-NRFANRHFSA-N 414.502 3.507 0 1 HHAF CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C 5058401 VSTSLFMHSLKCLN-SFHVURJKSA-N 404.532 3.664 0 1 HHAF Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 5058517 PUKPIHHQWSEWAO-DEYYWGMASA-N 422.522 3.645 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@H](C)C2=O 15262581 DFSRAKRRKOYPCQ-MNOVXSKESA-N 400.427 3.825 0 1 HHAF biogenic COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@H](C)[C@@H](C)C2 15270602 MRKYWHWCKKOXEB-CSJMPQKXSA-N 404.459 3.661 0 1 HHAF biogenic Cc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc1 27320599 CYIGQYFUSLAKHN-UHFFFAOYSA-N 409.924 3.908 0 1 HHAF CCc1ccc2c(c1)sc1[nH]c(-c3ccc(OCC(=O)O)c(OC)c3)nc(=O)c12 45358859 NPRDYZHPKUMKAA-UHFFFAOYSA-N 410.451 3.839 0 1 HHAF COc1ccccc1/C=C1\CN(C)CC2=C1NC(=S)N[C@@H]2c1ccccc1OC 71335376 NWYVDFCNYHNVGQ-CNCHJIQNSA-N 407.539 3.506 0 1 HHAF O=C(Cc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72101469 KCENBHVQEWNGQK-HSZRJFAPSA-N 406.917 3.606 0 1 HHAF CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2C)s1 82177407 YFMGVUXOKRDNGN-UHFFFAOYSA-N 407.543 3.806 0 1 HHAF C[C@@H]1CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)Cc2ccc(C(F)(F)F)n21 84596643 YAKRDMIJMKTZDY-ZYHUDNBSSA-N 419.369 3.788 0 1 HHAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C(N)=S)n2)ccc1O 95563456 DUXNRXKYPKOEJD-FCXRPNKRSA-N 423.494 3.744 0 1 HHAF Cc1cc(N)nc(CCc2cc(CCCN)cc(CCc3cc(C)cc(N)n3)c2)c1 95581143 TUMIYXWSFLIVFR-UHFFFAOYSA-N 403.574 3.720 0 1 HHAF in-vitro CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 103539747 XBHFOGHTORAEMB-OAQYLSRUSA-N 424.497 3.718 0 1 HHAF COc1ccc(Nc2nc(NCc3ncccn3)nc(Nc3ccc(F)cc3)n2)cc1 115739675 KNLBVCZPJANZEK-UHFFFAOYSA-N 418.436 3.909 0 1 HHAF CCCn1c(=O)n(CCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21 144105335 OBZIHNKDBMLVDG-UHFFFAOYSA-N 410.537 3.955 0 1 HHAF CN(C)CCCN1CCCN(C(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)C1 169305187 WMMMBYUNCSQOME-UHFFFAOYSA-N 418.541 3.665 0 1 HHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586921522 BJIAXVOYRYWLIB-UHFFFAOYSA-N 423.288 3.573 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H](C1)N2 587520533 DYGFWCNDILJDOX-LDSCYUJKSA-N 412.530 3.641 0 1 HHAF CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C1 587581835 JFAHCGQAPYYQQM-UQJUWTFNSA-N 411.498 3.861 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1Cc3ccccc3N[C@@H]12 587586441 CGCDGQAETGNJPT-NKKJXINNSA-N 400.434 3.750 0 1 HHAF CCN(CC)c1ccc(-c2nn(C3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 587667945 WKCMSLGNQQRWBW-UHFFFAOYSA-N 406.530 3.882 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c[nH]c3ccccc23)N1 587801706 HUFPKZSDAWIUDA-OVWNDWIMSA-N 403.251 3.932 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587834927 NKKAHHQEEJTYSN-JEOXALJRSA-N 412.299 3.964 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NS(=O)(=O)c2ccccc21 587867436 YXJQQSLGPRFVLB-UHFFFAOYSA-N 421.400 3.965 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)c(OC)cc1OC 587871099 ZUZUEOYSHYSORB-UHFFFAOYSA-N 400.406 3.802 0 1 HHAF CCNS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c(NCc2ccncc2)c1 653717893 UBDSBGLRCKBYMZ-ABSDTBQOSA-N 400.548 3.592 0 1 HHAF Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@H]1C[C@H]1CO 653847607 CEYYRHMGNJNJEA-AAEUAGOBSA-N 412.408 3.909 0 1 HHAF COc1cccc([C@@]2(c3cccc(OC(C)=O)c3)NCCc3c(C(=O)O)cccc32)c1 963122874 NKIMLFPEOVXJDC-VWLOTQADSA-N 417.461 3.756 0 1 HHAF CCN1C[C@@H]2CC[C@H](C1)C21N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192111 YHGZVQYTZBWRAX-TURUYIPJSA-N 402.844 3.515 0 1 HHAF Cc1cn(CC2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c(=O)nc1O 1772573778 KVPZNNBPFPENKD-UHFFFAOYSA-N 405.498 3.962 0 1 HHAF O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(OC(F)F)cc1 1772624672 PNHIUDSSYHTHOT-OAQYLSRUSA-N 416.468 3.974 0 1 HHAF Fc1ccc([Si@@]2(c3ccccc3)CC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 1857622000 GAOQEODVVZUJNQ-HLADLETHSA-N 416.616 3.983 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N 4080143 HTEPOLTXBFEVSQ-IFMALSPDSA-N 405.454 3.669 0 1 HHAF O=C(CS(=O)(=O)c1nc(-c2ccccc2)cn1-c1ccccc1)Nc1ccccc1 4765416 QTKWLALVQFBTOL-UHFFFAOYSA-N 417.490 3.952 0 1 HHAF COc1cc(OC)c(-c2cc(=O)c3c(OC)c(OC)ccc3o2)c(OC)c1OC 6018949 WRSCDVAVPNHFPB-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF biogenic COc1ccc(OC)c(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 15779140 IWEOCVGFNFAXGS-UHFFFAOYSA-N 420.469 3.524 0 1 HHAF CCCCNC(=S)N[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 28343336 WXSYONCQSTTXCZ-ATWMFIQVSA-N 408.782 3.777 0 1 HHAF O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2nncc3ccccc23)CC1 28455725 HEBQWXXASDZURK-UHFFFAOYSA-N 417.391 3.883 0 1 HHAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(N4CCNC(=O)C4)cc23)cc1 72177562 OXSMXKYERKHTMN-UHFFFAOYSA-N 402.542 3.804 0 1 HHAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82134077 MAVMERDKSSPTMF-UHFFFAOYSA-N 402.498 3.643 0 1 HHAF COc1ccc2c(c1)[C@H](O)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2 85593015 BKXFJODAEBHQRW-QEFHDYNCSA-N 412.482 3.801 0 1 HHAF biogenic,in-vitro CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cc(=O)n(Cc3ccccc3)c3ccccc13)C2 100643156 YRPLZRPGTWXNJH-RTBURBONSA-N 402.494 3.832 0 1 HHAF Cc1oc(C(C)(C)C)nc1CCOc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101200385 KLUBODSSPYNARE-QBNMFFNISA-N 417.502 3.908 0 1 HHAF COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1 118616536 VKFGWFYVUMXYFB-IRXDYDNUSA-N 412.452 3.575 0 1 HHAF CCOC(=O)N1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 144750593 GEJCQCIAXYESFM-FQEVSTJZSA-N 406.404 3.744 0 1 HHAF COc1cnc2c(NCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1 167689225 BGCVPRDNBVSVKW-UHFFFAOYSA-N 421.461 3.864 0 1 HHAF Cc1nn(-c2ccc(C(=O)O)cc2)c2nc3ccccc3c(NCCCN(C)C)c12 169341306 XJYITVGYNVYSRC-UHFFFAOYSA-N 403.486 3.944 0 1 HHAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)C[C@@H]3C)n1 169702285 ARWPUMUNJQFGGQ-HNNXBMFYSA-N 415.501 3.790 0 1 HHAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2ncccc21 253666911 QIUAKUUKOPXXCA-FVQHAEBGSA-N 402.420 3.744 0 1 HHAF O=C(O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586958009 CDJWCQHSSYFUFK-XMMPIXPASA-N 407.289 3.764 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(CSC(C)(C)C(=O)O)nc2c1 586958398 FDRSVKMIGMUTMH-UHFFFAOYSA-N 401.282 3.599 0 1 HHAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc21 587333744 LGSAZCPBDTYFBO-NFBKMPQASA-N 407.372 3.901 0 1 HHAF CC1(C)Cc2ncnc(N)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587338807 RSULNGZCWFBEBW-CYFREDJKSA-N 419.456 4.130 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(C(=O)O)c41)[C@@H](C2)C3=O 587450551 MNHKPAVDJHQISY-BVZFJXPGSA-N 412.397 3.629 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)NCC1CC1)CC2=O 587469055 HELHWOWCGLAOSY-QFIPXVFZSA-N 409.482 3.956 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@@H]1N=O 587487075 CWSVFDPCHYDPLI-PGRDOPGGSA-N 407.426 3.799 0 1 HHAF CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587650086 WAOZNJLBBGORRH-UHFFFAOYSA-N 405.859 3.638 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800826 ZSTPXYXIBKRGSN-JEOXALJRSA-N 414.315 3.886 0 1 HHAF O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccco2)c1O 587945657 OILBJABXNJMEAX-UHFFFAOYSA-N 412.402 3.619 0 1 HHAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cccnc2-c2cccnc2)N1 962626656 DBSODTCETBYQKZ-IEBWSBKVSA-N 415.371 3.731 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(-c3ccccn3)[nH]n2)N1 963174080 QBNWICQSCFPWDS-RHSMWYFYSA-N 422.794 3.832 0 1 HHAF CCOC(=O)CCCC[C@@]1(c2cc(OC)cc(OC)c2)NCCc2ccc(O)cc21 963328479 GHFSVORCJXCFDM-DEOSSOPVSA-N 413.514 3.922 0 1 HHAF O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1nn(CC2CC2)nc1O 1772607428 KCDSBKZJAOGYEM-UHFFFAOYSA-N 406.339 3.869 0 1 HHAF O=C(NC[C@@H]1CCCN1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772622100 LNRAISBQMUBBOG-HNNXBMFYSA-N 416.403 3.923 0 1 HHAF F[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1OCc1nc2cnccc2[nH]1 2356328999 PDMXAEHTJSAIPP-YOEHRIQHSA-N 410.371 3.596 0 1 HHAF COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 36388500 KJWWIPKQPXRAAB-XJKSGUPXSA-N 412.408 3.867 0 3 HHAF Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@@H](C)C3)cccc2n1 3959333 DZBLKVHBOHYUNY-SFHVURJKSA-N 416.525 3.627 0 1 HHAF COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC 4081356 PLTZHPQCZMQOJZ-FUHWJXTLSA-N 418.877 3.546 0 1 HHAF Cc1cccc(NC(=O)N[C@@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 13734846 ZMUBIYUMHFIWON-NRFANRHFSA-N 419.529 3.742 0 1 HHAF CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(C(=O)C1=C(C)OCCO1)CCO2 14882988 YBALVLCVRBBIHO-QHCPKHFHSA-N 409.482 3.812 0 1 HHAF CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2COCCOC)c1C 26005862 LLHQVBGILNZHPS-NDEPHWFRSA-N 419.572 3.780 0 1 HHAF CCCCOC(=O)Nc1ccc2cnn(Cc3ccc(-c4nnn[nH]4)cc3OC)c2c1 26486788 ATHNYPLNOBPVPS-UHFFFAOYSA-N 421.461 3.622 0 1 HHAF CCCCN(C)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccccc1 73163794 ZSFKKHGDYAPWDU-UHFFFAOYSA-N 402.498 3.907 0 1 HHAF Cc1cc(C)c(S(=O)(=O)N2CCC(NC(=O)C3CCCCCC3)CC2)c(C)c1 73221543 KGCYRGYJANTLTJ-UHFFFAOYSA-N 406.592 3.852 0 1 HHAF CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(O)cc2)cs1 82195035 HIBPBNKSWAXFSF-QSFXBCCZSA-N 417.575 3.788 0 1 HHAF COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1OC(=O)CCCC(=O)O 87723070 CKKQHVJSKWRZGJ-UHFFFAOYSA-N 411.435 3.919 0 1 HHAF O=C(c1ccccc1F)c1ccc(F)cc1/C=C\OCCN1CCC[C@H](C(=O)O)C1 96923635 YHZWVKZUCDXZTB-GKUQOKNUSA-N 415.436 3.980 0 1 HHAF CSc1ccc(N(C)C(=O)c2c(O)c3cc(SC)ccc3n(C)c2=O)cc1 100832188 ZHFKGPIQARLRNU-UHFFFAOYSA-N 400.525 3.965 0 1 HHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC 101616502 XYAYAUJYLLPTDJ-SELCWUDQSA-N 402.451 3.586 0 1 HHAF CN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(C(F)(F)F)cc3n2C1 144569604 NGWIETWBUODSDI-CYBMUJFWSA-N 422.382 3.668 0 1 HHAF O=C(CCc1nc2ccc3ncccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023767 IAJSXIVXXBHXJJ-UHFFFAOYSA-N 401.455 3.596 0 1 HHAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3c(N)ncnc3[nH]2)cc1OC 587056193 HUYPCZWZZRNOGF-UHFFFAOYSA-N 424.848 3.525 0 1 HHAF COC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587119470 WOBGIIPPTNJTMW-UHFFFAOYSA-N 417.185 3.570 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2cc(Br)ccc2[nH]1)C(F)(F)F 587126509 CCTWAVRRGRLMLJ-UHFFFAOYSA-N 406.183 3.681 0 1 HHAF CN1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587596556 RRAKOJGSMRUDBI-WIOPSUGQSA-N 416.477 3.847 0 1 HHAF C[C@H](Oc1cccc(Br)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587650785 DTEUQFFGVPXJEC-JTQLQIEISA-N 407.651 3.920 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2N)OCCO3)N1 587747306 PMZGFFFGBOLUMB-GIGQVBGESA-N 407.283 3.739 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 587767086 IKWBTHYRCNQCKM-QTPGKHNVSA-N 417.322 3.844 0 1 HHAF COC(=O)COc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793550 NOEQKNPNCVGCCW-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF CCC[C@@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587797628 MOMWNEIDLCCSDQ-ZMZPIMSZSA-N 400.288 3.640 0 1 HHAF C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017664 DEXVRWPAZCXVMA-NIHZBZNOSA-N 415.534 3.542 0 1 HHAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2ccccc2N)nn1 1857633944 SDNXXKJLRWFXBJ-UHFFFAOYSA-N 420.420 3.622 0 1 HHAF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccccc3C)cc2)cc1 1857746646 UETBRVUGGPUKES-UHFFFAOYSA-N 408.523 3.712 0 1 HHAF COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4cc(C)[nH]c4c3)C[C@H]2C)c(F)c1 1911574889 JDELRJPMXYHEDY-HZPDHXFCSA-N 423.488 3.999 0 1 HHAF COc1ccccc1CN1C(=O)[C@H](Cc2ccccc2)ON=C1c1ncccc1C 61904635 WQNLPKAPSCPSCN-NRFANRHFSA-N 401.466 3.731 0 3 HHAF COc1cccc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)c1 61925610 NHBOPBSGFMKFPH-UHFFFAOYSA-N 414.465 3.947 0 3 HHAF CC(C)(C)OC(=O)NCCc1ccccc1/C=C/S(=O)(=O)NCc1ccccc1 96019101 HLJDZHNWVUKQIJ-JQIJEIRASA-N 416.543 3.844 0 3 HHAF O=C(COCc1ccccc1)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358913 DAFCPZALIFGBSR-FQEVSTJZSA-N 400.906 3.554 0 3 HHAF Nc1cccc(CN2C(=O)N[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1 5934169 BYSNQIHTZQPUDU-SDHSZQHLSA-N 415.537 3.768 0 1 HHAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@@H](C)[C@H](C)C3)OCO2 14692456 HOPDFAWBFXSPSA-LIBAHTEVSA-N 400.427 3.690 0 1 HHAF biogenic CCOCCOCCOC1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 28712057 QFZFOAIFCJUCDP-UHFFFAOYSA-N 408.583 3.635 0 1 HHAF COc1cccc2c1[C@]13CCN(CCc4ccccc4)[C@H](C2)[C@]1(OC)CCC(=O)C3 29560164 NWFRYEOZMKEEMS-LGPLSSKUSA-N 405.538 3.944 0 1 HHAF Cc1c(C(=O)N(C)C)cccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40394501 FCJJKNXBYYXCKW-QGZVFWFLSA-N 402.878 3.739 0 1 HHAF O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 49050942 XHJTZRDIIAOWHO-KRWDZBQOSA-N 418.931 3.614 0 1 HHAF Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3C)c2n(C)c1=O 49067386 GPNGBBAQRLTFSI-UHFFFAOYSA-N 412.493 3.900 0 1 HHAF Cc1cc(C(N)=O)ccc1-c1c(CCC(=O)O)ccn1-c1ccc(-n2ccnc2)cc1 68198706 NVCJMYLJSSPEKR-UHFFFAOYSA-N 414.465 3.755 0 1 HHAF CCOc1ccc2nc(S[C@H](C)C(=O)NS(=O)(=O)c3ccccc3)sc2c1 72175378 OOIMWNWJERNGIL-GFCCVEGCSA-N 422.553 3.681 0 1 HHAF COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82150525 FMHZEPGYUINMPY-HZPDHXFCSA-N 400.498 3.531 0 1 HHAF Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O 82180539 OEVORJJHPRCAJT-UHFFFAOYSA-N 404.518 3.637 0 1 HHAF Cc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 84601978 WLQXRKLNBXBTGF-UHFFFAOYSA-N 416.529 3.882 0 1 HHAF Cc1cnc(NC2CCCC2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 89469326 TWJZKWNATUQPFH-HXUWFJFHSA-N 405.502 3.598 0 1 HHAF Cc1ccnc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 95571255 QTIYBXLKHOGOMW-UHFFFAOYSA-N 415.872 3.976 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C)CC1 95867545 KCUPEQASNPUUCR-QFIPXVFZSA-N 423.532 3.828 0 1 HHAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccccc3C(F)(F)F)cc2)CC1 96172306 DULMWURFXBPWNL-CTNGQTDRSA-N 417.475 3.592 0 1 HHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC 102750976 XYAYAUJYLLPTDJ-LYHOESIGSA-N 402.451 3.586 0 1 HHAF CC1(C)Oc2ccc(-c3cccc4cccnc34)cc2[C@@]2(COC(N)=N2)C12COC2 149230127 VJBWMBRNRXJSBA-DEOSSOPVSA-N 401.466 3.630 0 1 HHAF CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1 208670650 NWVOCGYRUYPEEN-UHFFFAOYSA-N 416.413 3.522 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(Oc3cccnc3)cn2)n1 221128674 KENHIFCOTKVJQH-RHSMWYFYSA-N 421.461 3.608 0 1 HHAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)n1 253679470 WRAQNXWAMOYIQK-FZNQNYSPSA-N 403.477 3.530 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCCC2CCN(C)CC2)cc1 299828095 GVYHLYWBDITGOO-UHFFFAOYSA-N 418.607 3.892 0 1 HHAF COc1nccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957701 DKNBLAJOPPAKIC-WBAXXEDZSA-N 412.515 3.661 0 1 HHAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 587024365 XJWNIRAIWYFQCG-UHFFFAOYSA-N 417.388 4.510 0 1 HHAF CCS(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042860 NPVMRCRONZUACR-MRXNPFEDSA-N 421.931 3.665 0 1 HHAF COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587434738 AILPUQXIPCQRJH-CYFREDJKSA-N 401.418 3.674 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587448911 MZCCVWCQSGWAEY-AVRDEDQJSA-N 409.463 3.531 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)OCCO3)CC2=O 587482217 CXEPXJDTZIAOBF-HSZRJFAPSA-N 412.438 3.841 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]cc(C(=O)O)c(=O)c3c1)CC2=O 587488729 JDBVFZJJXGRVSP-QHCPKHFHSA-N 407.422 3.765 0 1 HHAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n(C(F)F)n1 587656063 VPIGGJZZBGFXFO-UHFFFAOYSA-N 416.334 3.930 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587730561 JKIOPHYWNCOZKF-ZRNGKTOUSA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742392 RCRXGZYCYWWNAZ-ODXCJYRJSA-N 421.310 3.679 0 1 HHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587784847 KAYSJUVGNVNLCJ-UONOGXRCSA-N 424.400 3.800 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587825792 FKGSBMFFISSGQE-MPBGBICISA-N 420.278 3.718 0 1 HHAF O=CN1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2ccccc2nc1N1CCOCC1 653721463 HEKONDXBBCEWJU-JOCHJYFZSA-N 404.445 3.518 0 1 HHAF CCOC(=O)[C@H]1CCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C(=O)C1 653838767 HVTZIWLATQTGHE-INIZCTEOSA-N 405.454 3.726 0 1 HHAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1CC 962731236 QJQCPFWCYGSAIS-KKSFZXQISA-N 422.447 3.971 0 1 HHAF COc1ccc2c(c1)[C@](c1cccc(CN3CCN(C)CC3)c1)(C1CC1)N[C@H]1CC[C@H]21 962991619 DOBUVOTXKMSYTF-FXVJXKIMSA-N 417.597 3.945 0 1 HHAF COc1ccc(-c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cn2)cc1 963238416 YUJWELBHPVWAAQ-RPWUZVMVSA-N 411.461 3.994 0 1 HHAF CN1CCN(CCNc2nc(Nc3ccc(F)c(Cl)c3)nc3ccccc23)CC1 1772579407 RLSIVMMLYNEREE-UHFFFAOYSA-N 414.916 3.825 0 1 HHAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)c(Cl)[nH]1 1857547400 KSYGWDIKEZBDSJ-INIZCTEOSA-N 417.897 3.681 0 1 HHAF C=CC(=O)N1CC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 1857568367 HMJWDRNCIBKVLK-UHFFFAOYSA-N 419.510 3.782 0 1 HHAF COc1cc(C[C@@H](C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OC 2356490053 VGUAMWQXVLMWPW-OAHLLOKOSA-N 418.486 3.745 0 1 HHAF CC[C@]1(O)CC[C@@H]2CC=C3OC(=C4OC(=O)C(C)=C4OC)[C@H](C)[C@@H]3[C@@H]3CCC[C@@H]1N32 2356491795 QCAFHXTWKUQEOP-XRSVOWJKSA-N 415.530 3.772 0 1 HHAF CC(=O)C[C@@H]1C[C@@]2(C)CC=C3CO[C@H](CC(C)=O)[C@@]3(O1)[C@H]2C=COC(=O)C=C(C)C 2356586508 CHWHQKGWMYXOKD-DYRSVQDXSA-N 416.514 3.847 0 1 HHAF COc1cc2c(cc1OC)[C@H](C(=O)N(C)C1CCCCC1)[C@H]1CCCCN1C2=O 2456108 GAGVQHJYTIYDQP-NQIIRXRSSA-N 400.519 3.587 0 3 HHAF COc1ccc(CN2[C@@H](CC(C)=O)c3cc(C(F)(F)F)ccc3S2(=O)=O)cc1 12478388 YVKYNLJRKHJXRP-KRWDZBQOSA-N 413.417 3.939 0 3 HHAF CCc1noc(C)c1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 13594155 DPPHJIPUISQNOG-HNNXBMFYSA-N 419.472 3.772 0 3 HHAF Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 61923048 LBEMSNVHEADUTJ-VAMGGRTRSA-N 408.527 3.715 0 3 HHAF COC(=O)c1ccccc1NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 203475146 YLMSTJDOKLOLJB-UHFFFAOYSA-N 411.502 3.516 0 3 HHAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 4048930 HRLLCPGKQPZWTJ-ISKFKSNPSA-N 421.541 3.779 0 1 HHAF C[C@]1(Oc2ccc(C(=O)O)cc2)N(C(=O)NCc2ccccc2)C(=O)C12CCCC2 26492287 LIDBYPSEPKTNLQ-JOCHJYFZSA-N 408.454 3.792 0 1 HHAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccc(OC)cc1 26955428 ALDDUDLTDJZYKQ-IBGZPJMESA-N 403.519 3.557 0 1 HHAF N[C@H]1C[C@@H](N2CCn3c(C(F)(F)F)cnc3C2)CC[C@@H]1c1cc(F)c(F)cc1F 28821160 UDBVPPQTFNUKHK-USBNGQNGSA-N 418.385 3.798 0 1 HHAF CS(=O)(=O)c1ccc(N2CCC(C3CCN(c4ccc(F)cn4)CC3)CC2)cc1 43196976 RGACNFDMTKAALK-UHFFFAOYSA-N 417.550 3.757 0 1 HHAF CC(C)CCN1[C@@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O 49116098 GYHHSTMZZKYFOX-JOCHJYFZSA-N 412.511 3.866 0 1 HHAF CCNc1nc(NCCc2cccc(OC)c2OC)nc2cc(OC)c(OC)cc12 82131458 FAIXDFXGMGEEQF-UHFFFAOYSA-N 412.490 3.751 0 1 HHAF CN1CCN(c2[nH]ccc3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 101055708 DPJIXLAHFRJRIA-UHFFFAOYSA-N 422.920 3.755 0 1 HHAF COc1ccc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)cc1 103170099 AGJHJOPVLFDHRL-IBGZPJMESA-N 410.536 3.999 0 1 HHAF Cc1cc(C)c(C2=C(OC(=O)C(=O)N3CCCCC3)C3(CCCC3)OC2=O)c(C)c1 103217619 ISIZMGMXTXVQII-UHFFFAOYSA-N 411.498 3.748 0 1 HHAF C[C@H](C(=O)O)c1ccc2c(c1)OCc1cc(I)ccc1C2=O 169340393 GWSQBCOVRWBAHX-VIFPVBQESA-N 408.191 3.603 0 1 HHAF Cc1nc(-c2ccccc2F)c2c(N3CCc4cnn(CC5CCC5)c4C3)ncnn12 169711803 FXOHIGKANXKTOR-UHFFFAOYSA-N 417.492 3.798 0 1 HHAF CC(=O)c1c[nH]c2ccc(-c3c(C)n[nH]c3C)nc2c1=N[C@H]1CC[C@H](CN(C)C)CC1 473164989 MAIRXTLEGWHTAJ-IYARVYRRSA-N 420.561 3.794 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4cnc(OC)cc4[nH]3)cc2cc1Br 586999877 JVYOKONSAPZHJU-UHFFFAOYSA-N 416.231 3.901 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]4C)-c1ccccc1C2=O 587102153 SMDWKQPDMZTRIE-XNJJOIOASA-N 401.418 3.816 0 1 HHAF COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1F 587178915 OGTHAPAZYYEFDJ-UHFFFAOYSA-N 413.190 3.573 0 1 HHAF COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1OCC(=O)NC(C)C 587218976 APPJUVJXZGKDKN-UHFFFAOYSA-N 409.273 3.844 0 1 HHAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Cl)ncnc2[nH]1 587231639 SYCSXYKEAXLPAA-UHFFFAOYSA-N 408.849 3.896 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 587723083 VJQJIUCNKBNBIJ-SREIQFSDSA-N 408.193 3.670 0 1 HHAF COC(=O)COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789413 BVZNVMQAOLDXFD-FKIZINRSSA-N 422.294 3.938 0 1 HHAF CCCC(=O)C[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797561 MGXZBDFRNVADKL-BBATYDOGSA-N 400.288 3.640 0 1 HHAF COc1ccc(OCn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587875258 IMMDGHLWYQDDJR-UHFFFAOYSA-N 406.373 3.725 0 1 HHAF CCOC(=O)c1cc(C)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1C 587945946 PSOVYBWCJARTFC-UHFFFAOYSA-N 414.462 3.741 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N12 962672891 UFUBCPOGWVIHIF-SAHUUAETSA-N 415.537 3.824 0 1 HHAF COc1cc(F)cc(OC)c1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702922 SXQBYDBLUNPJGU-GUYCJALGSA-N 417.330 3.689 0 1 HHAF C[C@@]1(c2ccc(OC(F)F)cc2OC(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962906727 YYQDIVIVHUKSLN-DJJJIMSYSA-N 417.330 3.891 0 1 HHAF O=C(Nc1cc2[nH]nc(OC3CCOCC3)c2cn1)N[C@@H]1CCCOc2ccccc21 1772601976 QDEXDXWJMTVBRY-QGZVFWFLSA-N 423.473 3.551 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@H]2CCCCN2)cc1F 1772644261 FZJRGTLSZSRPGF-LLVKDONJSA-N 418.947 3.681 0 1 HHAF C[S@@](=O)c1ccc(Nc2cnc3ccc(-c4cccc([S@@](C)=O)c4)nn23)cc1 1857558604 NNVPUEZNNZTHDO-VSGBNLITSA-N 410.524 3.615 0 1 HHAF COCCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC 1911572600 XJEBSHOFIMSIIB-UHFFFAOYSA-N 415.505 3.997 0 1 HHAF COc1ccc([C@H]2Oc3cc4c(c(OC)c3C(=O)[C@H]2O)C=CC(C)(C)O4)c(OC)c1 2356625314 IQEOIUQZHNDKTI-IFMALSPDSA-N 412.438 3.574 0 1 HHAF COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 2725005 XMTGONMECUMEOY-MHZLTWQESA-N 401.875 3.549 0 3 HHAF COc1cc2c(cc1OC)[C@]1(C)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)C)O4 27652639 LHVZXPIPXSDPAX-JKHABCDFSA-N 410.466 3.957 0 1 HHAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1cccc(F)c1 28702110 NWEGTKILOGIJQG-GOSISDBHSA-N 412.421 3.577 0 1 HHAF CC(C)(C)NC[C@H](O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 29341207 YOXGXUWJLIFMFN-FQEVSTJZSA-N 405.510 3.592 0 1 HHAF CC(=O)O[C@H]1C[C@H]2[C@@H](CN(C)C)C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=O 34627064 SDLMMRKLTDNPHW-YHPKHUIUSA-N 419.562 3.699 0 1 HHAF CCN(C)CCN1C(=O)[C@H](O)[C@H](c2ccc(OC)cc2)Sc2cc(Cl)ccc21 58640524 ISCCGEOIRNWELU-UXHICEINSA-N 420.962 3.841 0 1 HHAF COCCNC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc2[nH]ncc2c1 66058795 MYXPVTHRAONUPM-UHFFFAOYSA-N 415.519 3.942 0 1 HHAF O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 73224772 KZWACXAMTSGJSU-UPCLLVRISA-N 420.944 3.787 0 1 HHAF Cn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565073 OLPLZSAMNNYSIE-UHFFFAOYSA-N 409.799 3.612 0 1 HHAF CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H]1CO 95878452 YTRWLKBZDOOEIO-OYDLWJJNSA-N 417.484 3.902 0 1 HHAF Cc1cc(C)cc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)c1 201536053 JUSYRNCAAMTKNY-UHFFFAOYSA-N 400.475 3.660 0 1 HHAF COc1cc(O)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204150921 IIGOWKTZNCRSCJ-UHFFFAOYSA-N 418.501 3.870 0 1 HHAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cnc(Cl)[nH]c-4n3)CC2)cc1 586955616 TXKNWJIOECAJCV-UHFFFAOYSA-N 419.938 3.650 0 1 HHAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)cnc4[nH]3)ccc2s1 587032767 AIUAKDWIHFDSEM-UHFFFAOYSA-N 424.482 3.813 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2c(Br)c(F)ccc2[nH]1)C(F)(F)F 587126976 JLGXXVRWAPFYPC-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF Nc1ccc(-c2ccc3nc(CCNC(=O)OCc4ccccc4)[nH]c3c2)cc1N 587227934 DEQZBDFZONAFGA-UHFFFAOYSA-N 401.470 3.863 0 1 HHAF O=C(c1ccc2c(c1)OC(F)(F)O2)c1c(CO)oc2cc(Br)cnc12 587276689 RORDHRJDIFQWML-UHFFFAOYSA-N 412.142 3.635 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4cccnc4)c(OC)c1)[C@@H](C2)C3=O 587435083 BKIDMOASBXILCY-SBUREZEXSA-N 417.417 3.807 0 1 HHAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587605535 AVNTXEHLJMQEDV-CPUMGYLUSA-N 422.433 3.573 0 1 HHAF COC(=O)c1c(-c2ccccc2Br)[nH]c2ccc(S(C)(=O)=O)cc12 587648895 NSYPEIBLFDMWDH-UHFFFAOYSA-N 408.273 3.788 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3ccc(C)nn3)c(=O)c3ccccc23)c(O)c1 587666029 XTEQBVCPJFQMEL-UHFFFAOYSA-N 401.470 3.703 0 1 HHAF CCOc1ccc(-c2nn(C(=O)C3CCOCC3)c(=O)c3ccccc23)cc1OCC 587670368 VUJMHKSUJGAVLT-UHFFFAOYSA-N 422.481 3.928 0 1 HHAF CCOc1ccc(-c2nn(-c3ccc(C)nn3)c(=O)c3ccccc23)cc1OCC 587670383 WNWGGSSCHCGKDY-UHFFFAOYSA-N 402.454 3.949 0 1 HHAF Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)n5nc6cc5Oc5ccc(F)cc5-6)(C4)C2)C3)n1 587876365 RNDSKZIMYMLCQM-KAJWEHKCSA-N 420.448 3.726 0 1 HHAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731779 ULTACXLAHKSTFB-GHTZIAJQSA-N 405.416 3.756 0 1 HHAF COC(=O)c1cccc(-c2cccc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)n2)c1 963026763 KGXUYCZLSIYJKW-MZNJEOGPSA-N 413.477 3.678 0 1 HHAF CCOCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857762028 WPPCAOCLJDLMSK-INIZCTEOSA-N 423.897 3.880 0 1 HHAF CC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)[C@H](O)[C@H](O)[C@](C)(O)CC[C@@H]12 2356326301 WMNBQKASDSMKDY-WTTYYQCJSA-N 406.607 3.665 0 1 HHAF C[C@@H]1O[C@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)C[C@H](O)[C@@H]1O 2356327930 LLBLZMZQJRHFLN-SKWWBAPZSA-N 408.450 3.667 0 1 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 770006 SYWZTUBLCPQTJW-UPVQGACJSA-N 414.509 3.743 0 1 HHAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@H](C)C(=O)NCc1ccccc1 6916538 JMKDIOPUABOPEJ-QGZVFWFLSA-N 400.482 3.588 0 1 HHAF O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc2c(c1)OCO2 9616265 CANQFRYCMFCQIH-UHFFFAOYSA-N 420.852 3.642 0 1 HHAF CCCC/C=C/C(=O)NC[C@H]1CN(c2ccc3c(c2)-n2cccc2COC3)C(=O)O1 34073900 UTDQLUHWNVCYMK-FKIZTMCRSA-N 409.486 3.695 0 1 HHAF in-vivo O=C(NCC12CC3CC(CC(C3)C1)C2)c1ncnc2c1CCN(Cc1ccccc1)C2 43076647 FTHONOGHTWCDMO-UHFFFAOYSA-N 416.569 3.981 0 1 HHAF C[C@H](Nc1nccc(N(CCCN)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 49072462 MBIVHJIXRRNZBS-KRWDZBQOSA-N 417.513 3.580 0 1 HHAF O=C(NCc1ccc2c(c1)[nH]c(=O)n2-c1cc(Cl)c(O)cc1O)Nc1ccccc1 72108821 TVJYYMLKSLKUDV-UHFFFAOYSA-N 424.844 3.705 0 1 HHAF O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1C1CC1 72125099 AFIUDWKMRIDODU-UHFFFAOYSA-N 404.514 3.661 0 1 HHAF O=C(NC1CC1)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)C2 73197185 CHUGQQBPFHBEPS-LJQANCHMSA-N 405.433 3.708 0 1 HHAF O=C(OCCc1ccccn1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073313 KWZJSUQNOLQNNE-IBGZPJMESA-N 407.495 3.596 0 1 HHAF O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100094313 INBZNFDBKZJJFR-JKHIJQBDSA-N 408.498 3.621 0 1 HHAF CCc1nn(C)c(C(=O)NCc2ccc(OCCCC(F)(F)F)nc2)c1Cl 103187172 LCIZOPQQBMQSJX-UHFFFAOYSA-N 404.820 3.682 0 1 HHAF Oc1ccc2c(c1)[C@]13CCN(CC(F)F)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3 103255078 WJAZOGGWHZTMKA-QLBJFCOMSA-N 422.475 3.604 0 1 HHAF CCCCc1ccc(Oc2ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc2)cc1 103301209 VPWNJMJBKQLUDJ-OAQYLSRUSA-N 423.446 3.553 0 1 HHAF O=S(=O)(Nc1cc(-c2cnc3ccccn23)cnc1Cl)c1ccc(F)cc1 113764501 ZTMZOOBBTDSQCV-UHFFFAOYSA-N 402.838 3.990 0 1 HHAF C[C@@H](Oc1nnc(-c2ccn(C)c(=O)c2)n1C)c1cc(-c2cccc(Cl)c2)on1 143014420 TYRVSFQDVZAMBW-GFCCVEGCSA-N 411.849 3.629 0 1 HHAF COc1cc(OC)cc(N(CCCN)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204149731 MAMVVNACJMPVQQ-UHFFFAOYSA-N 404.474 3.524 0 1 HHAF CO[C@@H]1OC(=O)C[C@@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C 238770772 SFOHMBBFSBTGGN-HTQLGXKWSA-N 408.535 3.998 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(F)cc1 261184534 WZLTZFARLTVGHL-LJQANCHMSA-N 420.448 3.977 0 1 HHAF Cc1cc(Br)cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586925636 ICLCRPKTJWBGJA-UHFFFAOYSA-N 421.316 3.853 0 1 HHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)cc1 586938126 VBPBEUAECBMXBN-NSHDSACASA-N 421.906 3.747 0 1 HHAF CN(C)CCOc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120414 ICMUNAWRCQWTOT-UHFFFAOYSA-N 407.318 3.931 0 1 HHAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1F 587148033 YGAWGFORMPQJGN-UHFFFAOYSA-N 416.456 3.808 0 1 HHAF Cc1cccc(NC(=O)Cc2nc3ccc(I)cc3[nH]2)c1C 587238606 DMYQLHKXGXORFW-UHFFFAOYSA-N 405.239 3.966 0 1 HHAF COc1cc2c3c(c1)O[C@@](/C=C1/SCC(=O)N1C)(c1ccccc1C)[C@@H](C2)C3=O 587454700 ZTLKMTATZMZWEH-XQIDTUAKSA-N 407.491 3.693 0 1 HHAF CNc1nc(N)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536762 ZSZCDMWQBRSJGQ-QHCPKHFHSA-N 405.523 4.555 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@H]2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577588 SZGKXAOEUOKUOX-WONHAXNMSA-N 419.433 3.670 0 1 HHAF COC(=O)C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596395 VMIKDCSATHZOOF-QPPBQGQZSA-N 404.418 3.898 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587744010 FVUJTUDEQSEDLF-OVWNDWIMSA-N 405.267 3.567 0 1 HHAF COc1ccc([C@]2(COC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587806315 HSGZEAQEZSVFBJ-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587836723 XSBHTGWLSAQHKG-HUTHGQBESA-N 422.250 3.777 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN2CCC[C@H]2C1 587860282 SNDNTZLIZUDXIT-HNNXBMFYSA-N 423.344 3.676 0 1 HHAF CNC(=O)c1cc(Oc2ccc3nc(NC(=O)c4cccc(F)n4)sc3c2)ccn1 653854037 REMZXODMPDWWTM-UHFFFAOYSA-N 423.429 3.630 0 1 HHAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(-c3cn[nH]c3)n2)c1 1857577937 FMPUNOMZJSNULQ-UHFFFAOYSA-N 407.455 3.642 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(N3CCOCC3)c2)nc1 1857641524 PQKGDDIKGMRUSA-QGZVFWFLSA-N 420.488 3.919 0 1 HHAF O=C1CSC(N2N=C(c3ccncc3)C[C@H]2c2ccc(Br)cc2)=N1 1857649380 JWLCIIIANMLPEF-HNNXBMFYSA-N 401.289 3.625 0 1 HHAF Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 1857754324 DJTGHRYGMPWMJC-UHFFFAOYSA-N 421.471 3.695 0 1 HHAF CCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21 1857755339 QKCBDZKVSCQSLD-UHFFFAOYSA-N 421.522 3.933 0 1 HHAF CC(=O)OCC1=CCC[C@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@@H](C)[C@@]2(C)CCC(=CCO)CO 2356331716 NYTNVERZLHWZGZ-RSEYPYQYSA-N 422.562 3.561 0 1 HHAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@@H](OC(C)=O)[C@@H]2OC(C)=O 136942484 DKZPDNPWKHTWCC-QMOXEECBSA-N 414.498 3.941 0 3 HHAF in-vitro O=C(N1CCc2ccccc2C1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1 198393546 OICNTSUOBOHUPB-UHFFFAOYSA-N 410.477 3.589 0 3 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@H](C(C)=O)[C@H](N4CC4)C[C@H]32)C1 263591341 WRCFYFRXAYMSAE-ZLNYBMAKSA-N 415.574 3.639 0 3 HHAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2CC(=O)N[C@@H](C)c1ccccc1 8604937 ZRUMJKWRYDAKCM-INIZCTEOSA-N 400.482 3.588 0 1 HHAF COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1cccc3ccccc13)C2 13584499 NIWXUQLICVVUGY-UHFFFAOYSA-N 410.539 3.575 0 1 HHAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1Cc1c2n[nH]c1C(=O)NC[C@@H]1CCCO1 28525643 VCYHUCFEOYVTLC-JWYILEJASA-N 421.541 3.594 0 1 HHAF O=C(OCc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 43068004 LSAWJFPEWWVQHF-UHFFFAOYSA-N 418.434 3.727 0 1 HHAF O=C(O)c1cc(CN2CCc3ccccc3[C@@H]2c2ccncc2)c2ccccn2c1=O 43208612 KRWUQKVIZMAAPL-QHCPKHFHSA-N 411.461 3.540 0 1 HHAF CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 49054585 MBHKGHDNJWASRA-SBHAEUEKSA-N 424.589 3.545 0 1 HHAF CNC(=O)c1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1 66080214 YIFZJBIBLZAPAO-UHFFFAOYSA-N 406.511 3.998 0 1 HHAF O=c1cnc2cc(N3CCOCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]1 72108013 PNXXOYCXRPDCDR-UHFFFAOYSA-N 405.483 3.627 0 1 HHAF CCC(=O)N(Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1)[C@H](C(=O)O)C(C)C 84618355 STUVUOBHQCEQCA-FQEVSTJZSA-N 423.469 3.957 0 1 HHAF Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc21 95557715 NAVYMHNQQHXBIP-UHFFFAOYSA-N 419.435 3.628 0 1 HHAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3F)CC2)nc2ccccc12 101045174 AGEXNHZEGLFEDD-WKILWMFISA-N 407.493 3.988 0 1 HHAF COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 204965117 IEISAWHFMJQZJD-DEOSSOPVSA-N 420.415 3.786 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1 586940877 IWHYMNRWGYBGPA-HJWRWDBZSA-N 406.305 3.724 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)cc1 586944905 QMASXRUBZKUNIL-UHFFFAOYSA-N 421.478 3.617 0 1 HHAF COc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1F 586984126 IJIGHXRNZCFNQD-INIZCTEOSA-N 406.255 3.893 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 587031923 QKKXAJXLNDZWKJ-WFNNLQEBSA-N 400.533 3.854 0 1 HHAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)ncc4[nH]3)n2)cc1 587111270 DGBXLOICGLATFP-UHFFFAOYSA-N 413.285 3.697 0 1 HHAF CN(C)CCOc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119857 JECKEUOQGMZJRO-UHFFFAOYSA-N 407.440 3.646 0 1 HHAF COP(=O)(C[C@@]1(COc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OC 587408835 OUUONDRGQBZDPC-FQEVSTJZSA-N 405.387 3.846 0 1 HHAF COP(=O)(C[C@]1(COc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OC 587408842 OUUONDRGQBZDPC-HXUWFJFHSA-N 405.387 3.846 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587720485 RVQLJRMAIJAYKM-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587830624 VOZNVUKXPAABKC-FKIZINRSSA-N 420.278 3.984 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccccc32)N1 587844795 PBCUPVGQZGNBHH-BBATYDOGSA-N 410.308 3.543 0 1 HHAF CC(C)Oc1ccc(-c2nnc(NC3CCN(CC(=O)O)CC3)s2)cc1Cl 653708029 NGCULPPNYGULFG-UHFFFAOYSA-N 410.927 3.607 0 1 HHAF O=CNC[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819876 YBWKMXGJEJIYJJ-AREMUKBSSA-N 411.505 3.882 0 1 HHAF CC1=CC[C@@H]2C(C(C)C)=CC(=O)O[C@]2(C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@@H]1O[C@]3(C)O 2356534196 YFSGXEZLCNEFQI-DCPLMMMKSA-N 416.514 3.801 0 1 HHAF CCN1C(NCCc2c[nH]c3ccccc23)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C 15937389 ZMJWBXJXYUSYAW-ZQMYSKGWSA-N 418.541 3.911 0 3 HHAF NC(=O)c1cccc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)n1 61906232 GYVKSOUIVANKAX-GFCCVEGCSA-N 407.421 3.642 0 3 HHAF CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCCCC3)ccc2O1 2488116 ARBCOGCTGLKJMP-HXUWFJFHSA-N 413.562 3.517 0 1 HHAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1 3814585 ZINNGAUEQDMHNV-UHFFFAOYSA-N 401.797 3.859 0 1 HHAF COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(Br)cc1 13472841 OOWZNIPZLXBTAA-UHFFFAOYSA-N 422.300 3.642 0 1 HHAF COc1cccc(COC(=O)[C@H](CC(=O)OC2CCCC2)NC(=O)OC(C)(C)C)c1 26178560 UQOQPWCQURBDSK-SFHVURJKSA-N 421.490 3.508 0 1 HHAF CCCN(CCC)CCCCNC(=O)c1ccc(I)cc1 28702545 FFLYQVYUAVHRTO-UHFFFAOYSA-N 402.320 3.923 0 1 HHAF COc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 29320705 DAQYIUROFOIFAX-PBZQEHOFSA-N 422.562 3.552 0 1 HHAF Cc1nc(Nc2ccccc2)c2nc(-c3ccccc3)n(CCN3CCOCC3)c2n1 34121914 VJIUTCZZSUGJKS-UHFFFAOYSA-N 414.513 3.878 0 1 HHAF COc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1 34342360 TZZYKKJDNVAHKA-UHFFFAOYSA-N 418.497 3.623 0 1 HHAF C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 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Nc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)sc2cc(Br)ccc12 587032534 UIGRXXVDMTYHOU-UHFFFAOYSA-N 412.276 3.765 0 1 HHAF CN1CCN(c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3c2)CC1 587109792 VFTPWQOJCAODOJ-UHFFFAOYSA-N 404.392 3.699 0 1 HHAF COC(=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2n1 587154813 RPJMRDPQEHHEBQ-UHFFFAOYSA-N 420.400 3.568 0 1 HHAF O=S(=O)(Nc1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)cc1 587170111 ITEKXXXLQQRNNK-UHFFFAOYSA-N 417.443 3.960 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2ccccc21 587412693 OAOUKOXXWHZMLW-XUZZJYLKSA-N 401.418 3.846 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(C(=O)O)cccc41)[C@@H](C2)C3=O 587452829 VLVFMXWBQJRUGN-BVZFJXPGSA-N 412.397 3.629 0 1 HHAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581022 UPRRUPSFZAOYRZ-URXFXBBRSA-N 417.417 3.990 0 1 HHAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750119 GSBCKGXSGODFNE-JEOXALJRSA-N 409.299 3.901 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)([C@H]2CCCNC2)N1 587790356 CGFQRYUBSZWYKR-IAMHBRQHSA-N 404.327 3.761 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCC(=O)O)N1 587792389 KSBXCGBMMQYECP-WLRWDXFRSA-N 408.267 3.849 0 1 HHAF C=C1NC(C)=Cn2nc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc21 587796799 QJRSBUWMHPCUPA-DGIBIBHMSA-N 403.299 3.975 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 587825737 FBJOODJWARIYSA-GIPWTMENSA-N 404.279 3.939 0 1 HHAF Cc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc(N2CCCC2)n1 653912232 WCVMXNYCNUQKCK-UHFFFAOYSA-N 408.937 3.913 0 1 HHAF Cc1nc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)cc2)no1 962626455 GYDSINRITJGUPC-DLBZAZTESA-N 419.359 3.632 0 1 HHAF Cc1cc(C)nc(SCC(=O)Oc2cccc(Nc3ccccc3C(N)=O)c2)n1 1857541708 YXDSVXFRDPZNFZ-UHFFFAOYSA-N 408.483 3.634 0 1 HHAF Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccc(Br)cc4)CC3)n2c1 1857750826 SZFFOHCPHCUAAD-UHFFFAOYSA-N 413.319 3.676 0 1 HHAF CCOC(=O)c1ncn2c(=NCc3cccc4c3OCC4)[nH]cc(-c3ccccc3)c12 1911573563 QLTAACOFGVPPJD-UHFFFAOYSA-N 414.465 3.542 0 1 HHAF COC(=O)[C@@H]1CCC2=C(CC[C@H](C)[C@]23C[C@H](c2ccoc2)OC3=O)[C@@]1(C)C(=O)OC 2356741788 RFJWUDNEMAPOJK-HPPDISGOSA-N 416.470 3.743 0 1 HHAF O=C(NCc1ccccc1)c1cc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)on1 61902579 GPJBRSBBLPQYAK-OAQYLSRUSA-N 417.509 3.943 0 3 HHAF CC(=O)Oc1c(N2CCCCC2)c(C(=O)c2ccccc2)c(O)c2ccn(N(C)C)c12 1650087 OHKILEIVRQBSHW-UHFFFAOYSA-N 421.497 3.691 0 1 HHAF COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)cc1OC 2500112 JSXFGBQWYWDXLS-UHFFFAOYSA-N 416.481 3.681 0 1 HHAF CC1CCN(CCNC(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1 4599432 ALXCBFMULBZKCC-UHFFFAOYSA-N 422.554 3.510 0 1 HHAF O=C1Nc2ccccc2[C@@](O)(C(=O)N2CCCC2)N1c1ccc(Cl)c(Cl)c1 4672644 LXYPFJMSLAPGNU-LJQANCHMSA-N 406.269 3.813 0 1 HHAF COc1ccc(Cl)cc1-c1cccn([C@@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O 13488465 ZXAORBJNVHWABO-KNQAVFIVSA-N 424.928 3.833 0 1 HHAF O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1 28645515 BUYKQYWJELIXQN-UHFFFAOYSA-N 422.488 3.960 0 1 HHAF CCCCN(Cc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40408367 XGTVHUJGLZCZPD-JOCHJYFZSA-N 400.473 3.746 0 1 HHAF CCCC[C@@H](/C=C1/C[C@](CO)(COC(=O)c2ccc(N(C)C)cc2)OC1=O)CC 40915293 JMKDPOCHTLWPTO-XKHPVYMPSA-N 403.519 3.730 0 1 HHAF O=C(N1CCOCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73257612 YOVASZAVRRWUIX-GOSISDBHSA-N 422.312 3.631 0 1 HHAF CC(=O)NCc1cccc(-c2cc(=O)n(C[C@@H]3CN4CCC3CC4)c3ccccc23)c1 95586873 UJGOADHVWOJKPW-QFIPXVFZSA-N 415.537 3.646 0 1 HHAF O[C@H](NC[C@]12CC[C@@H](C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 101953849 GMHFKOCCMACCAP-PZDALLCQSA-N 419.369 3.995 0 1 HHAF O=C1c2ccccc2[C@@](O)(c2ccc3[nH]c(=O)[nH]c3c2)N1c1cccc(Cl)c1F 116256105 MPBLSRRIBYVXJE-NRFANRHFSA-N 409.804 3.503 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2cccc(F)c2)c2cc[nH]c2c1=O 146475998 UOJZOKVTYLELME-UHFFFAOYSA-N 412.442 3.869 0 1 HHAF O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 169364123 RDHJLIIGGAPIEE-GLGHREOXSA-N 410.857 3.728 0 1 HHAF COc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)cc1 299856542 CSFFBUITUXKBLZ-UHFFFAOYSA-N 411.465 3.672 0 1 HHAF C[C@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586962590 SINVEDFTCWFECF-HNNXBMFYSA-N 417.556 3.578 0 1 HHAF COC(=O)c1cc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2cc1OC 587020186 GEZYIMJWGHLTHX-UHFFFAOYSA-N 418.475 3.752 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587041882 HIABVGTUYLLDKL-CYBMUJFWSA-N 423.420 3.610 0 1 HHAF COc1ccc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(F)c2)c(F)c1 587152333 LZCBKLSLWIXSLL-UHFFFAOYSA-N 415.421 3.831 0 1 HHAF O=C(c1ccc(Br)o1)c1c(CO)oc2cc(Br)cnc12 587272950 FMDNMEUHJZUDSE-UHFFFAOYSA-N 401.010 3.669 0 1 HHAF COc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441791 IOYSRWKBPZBPDT-HOYKHHGWSA-N 424.449 3.718 0 1 HHAF CCOC(=O)[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550925 WFQPPLOAYIBVNG-HNAYVOBHSA-N 410.344 3.998 0 1 HHAF CCOC(=O)c1csc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587613858 QVADILYTBAUUBF-HRAATJIYSA-N 411.435 3.902 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 587745028 TYHDXPNKWMGHPD-YRILPIOLSA-N 421.314 3.593 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 587759812 VSBQKTLOARBPEA-PRWKNARSSA-N 416.294 3.652 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791043 FHEYXGXBHDBIFP-APBUJDDRSA-N 423.282 3.941 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3Cc4ccccc4N[C@@H]32)N1 587793018 PZYRDZWPXIHQST-CFGAKRJMSA-N 402.311 3.975 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 587829547 XXIGXNBQUBBVCD-DKBTWMDRSA-N 424.310 3.798 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccoc1CC[C@H]2CC(=O)O 587831606 ICBURTJPOPZNKO-AXTBBGANSA-N 408.267 3.996 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCOCC3)s2)N1 587853000 KFEMEVFKUSOXMP-HWPZZCPQSA-N 412.328 3.505 0 1 HHAF CCCc1nnc(-c2ccc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)o1 963227762 RCDIOQLFNURSDU-IFMALSPDSA-N 414.465 3.926 0 1 HHAF C[C@@H](O)CCCC=CCC=CCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 2356383337 JPDHHIDMPUIHBY-UXHICEINSA-N 424.582 3.606 0 1 HHAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccccc4)[C@@]12C)[C@H]3O 2356648698 NHAOANQCNDNNRY-GJIYADOJSA-N 416.514 3.508 0 1 HHAF COc1cc([C@@H]2Oc3cc(C=CCO)cc(OC)c3O[C@H]2C)cc(OC)c1OC 2356668477 RGWQWUWITAFJJO-RNODOKPDSA-N 402.443 3.628 0 1 HHAF CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1cccnc1)C[C@@H]1CCCO1 20098756 SDELAWGAEJBZMO-PKOBYXMFSA-N 412.563 3.655 0 3 HHAF O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cccc(F)c2)cc1 201472769 LTBODQVKAZGTOG-LJQANCHMSA-N 406.413 3.648 0 3 HHAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 766963 NIXOJNSXYSKLMI-YHBQJITHSA-N 403.885 3.637 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 767057 KCXUQGQAGCNPRK-SRUXOGRHSA-N 408.498 3.597 0 1 HHAF O=C1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2724667 GXFVVZPWTQBEGW-QFIPXVFZSA-N 422.387 3.877 0 1 HHAF COc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1OC 3038646 SWVMATFAKLONIG-KOBHVQJXSA-N 414.546 3.937 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](O)C2 3800019 WHOYCZAZHQFDDJ-KKLQWCBXSA-N 401.572 3.564 0 1 HHAF O=C(OCCCc1ccc(F)cc1)[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 13441785 GNJCIHMCJPMIBF-OAQYLSRUSA-N 419.518 3.686 0 1 HHAF COc1ccc(COC(=O)[C@@H](CC(=O)OC2CCCC2)NC(=O)OC(C)(C)C)cc1 13478442 WNMGDPIPWAQLGI-GOSISDBHSA-N 421.490 3.508 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)C(=O)C[C@@]21C 33820861 UGIYNEUNLPMQNC-NEHMKONHSA-N 406.563 3.801 0 1 HHAF C[C@@H]1CC[C@@]2(COC(=O)CC(=O)O)C(CO)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 85669462 IVLSJOYTYVWEHN-XHBDVGQISA-N 404.503 3.981 0 1 HHAF O=C(CO)C[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1 100636760 KVMNKEXXUHMZLT-HDICACEKSA-N 401.576 3.566 0 1 HHAF CCN1CCC[C@@H](NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1 141251086 IQSQKAUSHODDNU-HXUWFJFHSA-N 420.513 3.838 0 1 HHAF CO[C@@H](C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1 167623019 NMBMIQYSIGQRKT-JOCHJYFZSA-N 403.482 3.566 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2nc[nH]c2c1 169694231 FIYRLTVVIGLPJJ-UGKGYDQZSA-N 402.498 3.599 0 1 HHAF CC(=O)CNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(Br)c3)c[nH]2)CC1 299807947 FHTXCGJNDDPSQI-HDJSIYSDSA-N 404.308 3.818 0 1 HHAF C[C@H]1CN(C)CC[C@H]1c1cc2c(cc1-c1cccc(F)c1)OCC1=NNC(=O)[C@@H](C)N12 299826318 FTLXBSMGBZVWPT-HDMKZQKVSA-N 422.504 3.579 0 1 HHAF COc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cn1 587230220 BFQLUEQXEIPSAY-UHFFFAOYSA-N 403.442 3.856 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(I)c1)[C@@H](C2)C3=O 587426322 BGOIHTNOBRYRGR-KPZWWZAWSA-N 422.218 3.797 0 1 HHAF CO[C@H](C)c1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587580620 SWWRETWSHGFRDH-FVFQAYNVSA-N 405.450 3.915 0 1 HHAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587613271 XVEVNGNZPNNPAJ-QMIHVTFKSA-N 422.433 3.573 0 1 HHAF COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627645 GOVHBTVCCSHAPI-UHFFFAOYSA-N 419.281 3.962 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCC3)N1 587827317 KIICHNWMKNRQGY-BIBXISHDSA-N 404.279 3.939 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587848323 HXYVEWWOZWYOCC-VOJFVSQTSA-N 412.324 3.789 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 587872664 QEVZREYDLHUCHU-GOSISDBHSA-N 407.445 3.777 0 1 HHAF CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@H]4OCCN3CC[C@H](F)C3)c12 653666697 MUHIWTRMLIAJQY-MUQADHOPSA-N 404.555 3.842 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1 962706290 XCMWKCYFXJXZCY-IUODEOHRSA-N 419.277 3.854 0 1 HHAF Nc1cccc([C@]2(CCC(=O)O)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962710205 PMMXJKCFSZFDAR-VGOFRKELSA-N 400.519 3.880 0 1 HHAF CCOC(=O)[C@@H]1Cc2ncccc2[C@@]12c1ccsc1CCN2Cc1cccnc1 963000706 WRERTMCTOJKPCK-WMZHIEFXSA-N 405.523 3.575 0 1 HHAF CN1CCc2c(Br)cccc2[C@]12C(=O)Nc1cc(Br)ccc12 963269498 JZMFZOQSCRRVAT-KRWDZBQOSA-N 422.120 3.895 0 1 HHAF C=CC(=O)Nc1ccccc1[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(Cl)cc3)nn21 1772605097 GJOMMDPXVSZLQK-KRWDZBQOSA-N 421.888 3.832 0 1 HHAF COC(=O)N1CCC[C@H](c2csc(-c3ccccc3NC(=O)c3ncc[nH]3)n2)C1 1772622083 KUDTWFXWEHVJPA-ZDUSSCGKSA-N 411.487 3.731 0 1 HHAF CCCNC(=O)N(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 1772651200 XNXIZHVAIGKBHT-UHFFFAOYSA-N 416.518 3.666 0 1 HHAF COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(C)c1)C(=O)C2 1857762516 ZSMOZYHRLHHZSY-UHFFFAOYSA-N 414.461 3.981 0 1 HHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@H](CN3CC[C@@H](NC(C)=O)C3)C=C2C)o1 2356465259 LZLLDTMZEXELJT-UWHLTILDSA-N 402.583 3.630 0 1 HHAF CC1=C[C@H](CN2CCN(c3ccccn3)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356499269 ZXLPVAUSODRGBJ-BHDDXSALSA-N 409.578 3.992 0 1 HHAF CCN(CC)C(=O)C[C@H](c1ccc(N(C)C)cc1)c1c(O)cc(OC)cc1OC 13661288 NDGGXDTVNFALMI-LJQANCHMSA-N 400.519 3.866 0 3 HHAF COc1ccc(C(=O)NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1 605674 GSSJNLLKDOAVFV-UHFFFAOYSA-N 411.571 3.602 0 1 HHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)c2cccc(Cl)c2)[C@@H]1O 5963931 YRPMCYJIXPHPFF-MOPGFXCFSA-N 400.814 3.876 0 1 HHAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 13547279 OEKUSRBIIZNLHZ-RZUBWJJUSA-N 406.563 3.657 0 1 HHAF biogenic,in-vitro CCCc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2ccc(O)cc2)nc1C 13583520 SWRXASXLGINNHP-GMAHTHKFSA-N 418.541 3.572 0 1 HHAF COc1cc(CCC(=O)O)ccc1Oc1c(OC)cc(CCC(=O)O)cc1OC 14620419 YBOIZGBZDGKRLF-UHFFFAOYSA-N 404.415 3.539 0 1 HHAF biogenic COc1cc2c(cc1OC)CN([C@@H]1CCCN(CCCOc3ccccc3)C1)CC2 22930477 AYOAQBIBJRBLRD-JOCHJYFZSA-N 410.558 3.995 0 1 HHAF COc1ccc(C2=NO[C@H](c3noc(-c4ccccc4N(C)C(=O)O)n3)C2)cc1F 42989888 NAARARLKPMZHMT-KRWDZBQOSA-N 412.377 3.864 0 1 HHAF O=c1[nH]c2cccc(N3CCN(C[C@@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 45255093 ZEIYGHCLSNJBKD-OAHLLOKOSA-N 420.488 3.669 0 1 HHAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]c(=O)oc2c1 72180733 IJQDLQCGKPLTAY-GOSISDBHSA-N 420.296 3.899 0 1 HHAF COC(=O)c1ccc2c(c1)c1c(n2CCCNc2nc(OC)cc(OC)n2)CCCC1 73166689 ZXERCFBVJLAADK-UHFFFAOYSA-N 424.501 3.616 0 1 HHAF CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccc(F)cc3F)nn2)ON1C 82153867 VKEFRYRRJCFZPZ-JKSUJKDBSA-N 402.338 3.581 0 1 HHAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO 95571251 NCWZNGWGZGUEMP-YMVVMYQSSA-N 413.521 3.692 0 1 HHAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]2N3)cc1 100106299 JTNQABQVHJAQME-BKFWDETESA-N 404.535 3.791 0 1 HHAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 100107129 KCRQDAGTLDHGDY-BKFWDETESA-N 422.525 3.930 0 1 HHAF CCOc1ccc(Br)cc1[C@H]1/C(=C(\O)OC(C)C)C(C)=Nc2nnnn21 103529689 GIMVQSJSODFWPG-IDTYTIONSA-N 422.283 3.724 0 1 HHAF C=CC(=O)N1CC[C@H](Oc2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2OC)C1 145208483 RTRKXKKOOFQSCE-AEFFLSMTSA-N 418.497 3.977 0 1 HHAF N#Cc1nc(C(=O)NC2(CC(=O)O)CCC2)c(O)c2ccc(Oc3ccccc3)cc12 146765684 POSNWIHEBUHYHY-UHFFFAOYSA-N 417.421 3.732 0 1 HHAF CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1cc(F)cc(F)c1 205408884 WHVWHHWEETUAMA-NRFANRHFSA-N 406.860 3.810 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@H]4C[C@H]4C)c3)C2)cc1 224869122 OBBNPTBEOJBVEB-PMTGJVGFSA-N 409.530 3.971 0 1 HHAF CC1(C)[C@@H](O)CC[C@](C)(O)[C@@H]1CC[C@@](C)(O)CCOc1ccc2ccc(=O)oc2c1 238735927 SKOQTSGTXDUTPI-JDBUVZGPSA-N 418.530 3.641 0 1 HHAF C/C=C(/C)C(=O)OCC(COC(=O)/C(C)=C\C)c1cc(OC)c(OC)c(OC)c1 238753793 CTQGAVDARMHSRT-SFGFDRCGSA-N 406.475 3.815 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299887388 YTQIWACAWZKGIH-GMLUQMLDSA-N 414.527 3.658 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586972318 HFTKCQCKVZXMRT-NRFANRHFSA-N 412.559 3.614 0 1 HHAF C[C@@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 587154030 BQWSEHIRDVKIMR-SFHVURJKSA-N 418.222 3.954 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587154748 GJXGCOBWXPDKFF-CWTRNNRKSA-N 418.266 3.983 0 1 HHAF Cc1c(Br)cnc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 587194117 LWCGDFNOPSZWJE-LBPRGKRZSA-N 412.332 3.546 0 1 HHAF COC(=O)c1cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2cn1 587240646 NBHNXKMKZABDKF-UHFFFAOYSA-N 416.437 3.607 0 1 HHAF C[C@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336391 NIWLVNCUZQEOSZ-LADGPHEKSA-N 421.424 3.670 0 1 HHAF O=C(O)[C@@H](c1ccc(Cl)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 587369259 XLAFLOGMQSTZPM-INIZCTEOSA-N 407.813 3.973 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnn1[C@@H]1CCCCO1)O2 587377283 LZLMYCXPTKXQLV-HOTGVXAUSA-N 406.280 3.942 0 1 HHAF CS(=O)(=O)c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567734 BNGXDSOUMQXYBQ-WIYYLYMNSA-N 414.410 3.638 0 1 HHAF CCCOc1ccccc1[C@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581702 XBVQPSWZQRUNMD-QPPBQGQZSA-N 405.450 3.997 0 1 HHAF C[C@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609015 UHERVBUPFFWMHC-NFBKMPQASA-N 424.474 3.814 0 1 HHAF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1-n1nnn(-c2ccccc2Cl)c1=O 587638488 MJNDGXVOAIPXEL-UHFFFAOYSA-N 411.849 3.549 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799963 VJXIQPCHHLLKOC-SZEPBZDZSA-N 414.315 3.886 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(Br)nn1C 587864976 XFIUKTLCFHYCQN-UHFFFAOYSA-N 416.201 3.848 0 1 HHAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(S(C)(=O)=O)nc12 653722013 ILSISQSFRSPFJR-UHFFFAOYSA-N 422.514 3.554 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccc(O[C@H]2CCOC2=O)c1 962376222 UYCBJFXBTIEUMM-RBBKRZOGSA-N 408.523 3.929 0 1 HHAF COc1cc2c(cc1OC)[C@H](/C=C/c1cn(Cc3ccccc3)nn1)N(C)[C@@H](C)C2 962620458 HZZKRHFJWDHWQZ-WXAJRKQLSA-N 404.514 3.975 0 1 HHAF C[C@]1(COC(=O)c2ccccc2N)c2cccc(F)c2CCN1[C@H]1CCSC1 962693763 DDDQWPVDGMMJCK-NYHFZMIOSA-N 400.519 3.844 0 1 HHAF CC(C)(C)OC(=O)N[C@H](CC(F)F)[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730801 PHCWUYKAHIOIJK-VNHYZAJKSA-N 422.394 3.922 0 1 HHAF COc1cccc([C@]2(c3ccc(Cl)nc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963492090 QDRZFHQEWHYEDP-WMZHIEFXSA-N 424.884 3.648 0 1 HHAF O=c1c2cnn(-c3ccccc3)c2n2c(-c3ccccc3)nnc2n1-c1ccccc1 1772621772 WESBQPGWEUDGPW-UHFFFAOYSA-N 404.433 3.886 0 1 HHAF CN(C1CCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)c(F)c1)CC2 1857766865 FLEVSJDTMAZEPA-UHFFFAOYSA-N 420.481 3.731 0 1 HHAF CCCC[C@H](C)C[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCC[C@@H](CC(=O)O)OC 2356687846 CQMVTHTYLSWGRI-HFAGFVSNSA-N 412.567 3.736 0 1 HHAF Cn1cc(CNCc2c[nH]nc2-c2ccc(F)cc2)c(-c2ccc3c(c2)OCCO3)n1 12434201 LWSYKNQDOWBAJG-UHFFFAOYSA-N 419.460 3.677 0 3 HHAF COc1cc(C)ccc1OCc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)no1 20207541 DNIFFDXXODLACY-OAQYLSRUSA-N 421.497 3.700 0 3 HHAF CN(C(=O)c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CC1 61958660 YZZJSSMTUJLJSY-UHFFFAOYSA-N 401.507 3.507 0 3 HHAF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 4051181 MVLMLUFVSRJKDS-WMTXJRDZSA-N 419.525 3.639 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C 4310484 AFAMMXDWWMBOQI-WQTXXOFMSA-N 419.566 3.784 0 1 HHAF O=C(c1cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)ccc1Cl)N1CCCCCC1 4659994 CPJTVRLSYHNWIF-FTUNRGFVSA-N 400.906 3.892 0 1 HHAF CNC(=O)Nc1c(OCCCCN2CCCCC2)c(OC)c2occc2c1OC 29395236 OIVODPJMGQHUON-UHFFFAOYSA-N 405.495 3.846 0 1 HHAF O=S(=O)(c1ccc(-c2cc([C@H]3C[C@H]4CC[C@@H]3N4)cnc2F)cc1)C(F)(F)F 95552406 XADIAGJQJVHXBU-XPKDYRNWSA-N 400.397 3.789 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO 95877781 UOYXNQGGSNDUET-FGCOXFRFSA-N 424.516 3.620 0 1 HHAF O=C(c1cccnc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95878262 ZNNUAEVOKNTBIG-WTIAFYNJSA-N 403.457 3.878 0 1 HHAF CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 110904015 VOGCMEWLCBQHHN-ZWKOTPCHSA-N 424.478 3.908 0 1 HHAF O=C(c1c(F)cccc1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 144514812 AMQQAPHMUZTGNF-UHFFFAOYSA-N 409.440 3.977 0 1 HHAF CC(=O)c1ccc(OCc2cccc(Oc3ccc(-c4nnn[nH]4)cn3)c2)c(F)c1O 148267028 ICSUUZAKWUFXEV-UHFFFAOYSA-N 421.388 3.680 0 1 HHAF O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2CC[C@H]([C@H]1C(=O)NC1CC1)C21CC1 168350411 XUBCOECWTHVDEM-YLFCFFPRSA-N 403.320 3.719 0 1 HHAF CC[C@H]1[C@H](C[C@H](C)C(=O)OC)O[C@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13 169308872 KSRHASDCOAHRSY-DTXAHMJKSA-N 407.551 3.523 0 1 HHAF CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3n[nH]c4cc(F)ccc34)CC[C@@H]12 169309779 RSNYLBGZLKEOAP-UGKGYDQZSA-N 405.521 3.763 0 1 HHAF CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cn21 169331599 NFMSNXYDDWETPY-HNNXBMFYSA-N 423.435 3.891 0 1 HHAF Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 226038007 LYVOAXHYXMTGTB-WDSOQIARSA-N 410.493 3.596 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 586958088 GASDWOWESJHFFH-BVGQSLNGSA-N 400.479 3.792 0 1 HHAF O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)cc(F)c2[nH]1 587001349 XYOHCAFZGSEKBU-UHFFFAOYSA-N 408.202 3.572 0 1 HHAF CCCc1sc(N)nc1-c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 587013058 GZGQVNDHMXUWBJ-UHFFFAOYSA-N 409.309 4.160 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(CCC(=O)Nc3cccc(F)c3)nc2c1 587163315 PBNYFCLDEJIDCZ-UHFFFAOYSA-N 420.238 3.822 0 1 HHAF COC(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334665 FRNFXVGAJXCSRF-JTHBVZDNSA-N 407.397 3.744 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@@H](C(=O)O)[C@H]32)c1 587361960 BTTHBSZYSCUPGF-CBJTVTONSA-N 400.434 3.969 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)O2 587382027 MOGDIYOFXTZVNE-SFHVURJKSA-N 413.417 3.501 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)O2 587407417 IHRHXGRKPOVTHT-SFHVURJKSA-N 414.310 3.789 0 1 HHAF COCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587414318 UMUDANWQWOGDRP-JLTOFOAXSA-N 419.271 3.972 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Cl)c(N3C(=O)CCC3=O)c2c1 587650200 ZDYHDOIKSXWOKR-UHFFFAOYSA-N 402.859 3.545 0 1 HHAF CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965541 LGDSAGIAIVRXEU-LRDDRELGSA-N 413.770 3.980 0 1 HHAF C[S@@](=O)c1ccc(Nc2cnc3ccc(-c4cccc([S@](C)=O)c4)nn23)cc1 1857558602 NNVPUEZNNZTHDO-IZLXSDGUSA-N 410.524 3.615 0 1 HHAF COC(=O)c1cccc(N2N=C(C)[C@@H](C(=O)Nc3cccc(-c4ccco4)c3)C2=O)c1 1857563559 RIIIHBHDKGQULN-FQEVSTJZSA-N 417.421 3.711 0 1 HHAF O=C(CCNC1CCC1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857591167 VVJPPPBEGUOQNT-UHFFFAOYSA-N 413.572 3.536 0 1 HHAF CC(=O)O[C@H]1C[C@@H](C(C)=CCC=C(C)C)[C@@H]([C@H]2C(=O)C[C@@H](OC(C)=O)[C@H]2C)[C@H]1CO 2356444922 NZWVOVFKAOWSBT-MICGEEHWSA-N 420.546 3.622 0 1 HHAF C[C@H]1[C@@H]2CC[C@@]3(O[C@]14OC(C)(C)[C@H](C)[C@@H]4O)c1ccc(O)c(CO)c1C=C[C@]23C 2356480656 LIQMFAHYIGAEHK-WMOUUEHTSA-N 400.515 3.691 0 1 HHAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1C=C[C@@H](NC(=O)CC2(CC(=O)O)CCCC2)C1 2356846440 ONYFGXMIESKVCG-RBUKOAKNSA-N 422.529 3.838 0 1 HHAF COc1cccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)c1 11954645 WBWIEGZLTOOIER-MRXNPFEDSA-N 416.468 3.922 0 3 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCc2ccccc2)O3)cc1 61902428 ABNXOBXCZHJWRB-VWLOTQADSA-N 415.493 3.760 0 3 HHAF FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1 537940 BNRMWKUVWLKDQJ-YJBOKZPZSA-N 405.468 3.559 0 1 HHAF world CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@H]1c1cn(C)c2ccccc12 2468683 QWZAWPSOJNSTJV-DHIUTWEWSA-N 413.477 3.998 0 1 HHAF C[C@@H]([C@@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 3955305 RLXIZUWKIWYBAY-KSFYIVLOSA-N 400.482 3.880 0 1 HHAF O=C(O)c1ccc(NCc2ccc(CNc3ccc(C(=O)O)cc3O)cc2)c(O)c1 12403171 APNFNKGFYOGLPS-UHFFFAOYSA-N 408.410 3.718 0 1 HHAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1 13444576 FWXQEINBRJTOSP-UHFFFAOYSA-N 403.567 3.954 0 1 HHAF COc1cc2c(cc1-c1c3c(cc4c(OC)c5c(cc14)OCO5)C(=O)OC3)OCO2 14435082 IMSYENXRJCVOHV-UHFFFAOYSA-N 408.362 3.652 0 1 HHAF biogenic O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn([C@@H]2CCCNC2)c2ncccc12 28862336 DJHAAKDZLZSXFT-CQSZACIVSA-N 409.433 3.812 0 1 HHAF Cc1ccc(CNC(=O)CCn2c3c(c4ccccc42)C(=O)CN2CCCC[C@@H]32)o1 29217816 KKKAYRHTXHXHNK-FQEVSTJZSA-N 405.498 3.973 0 1 HHAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1ccc(C(F)(F)F)o1 29400468 OPSCHTQVFRPQFQ-DWOOFBTHSA-N 403.397 3.914 0 1 HHAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CC(F)(F)F)C2=O)CC1 64539724 MSGAWMMCGSGKOV-UHFFFAOYSA-N 409.452 3.911 0 1 HHAF COCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1F 82153181 PRNAGHDKWITCSO-UHFFFAOYSA-N 408.477 3.622 0 1 HHAF COc1cccc(-c2nnc(Nc3cccc(S(N)(=O)=O)c3)c3ccccc23)c1 95587236 AQOZIRPXVMQDOX-UHFFFAOYSA-N 406.467 3.696 0 1 HHAF COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccc(F)nc4)ccc3n2)cc1 95588022 DZNWRPKWTXMVIA-UHFFFAOYSA-N 417.444 3.951 0 1 HHAF COC(=O)c1c(CNC(=O)C(C)C)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 96170239 GEEOYRHBGCWARK-UHFFFAOYSA-N 412.873 3.703 0 1 HHAF N[C@H]1C[C@@H](N2Cc3cnn(CC4CCCC4)c3C2)CO[C@@H]1c1cc(F)c(F)cc1F 96177957 WYGKUKXERKWQET-UPKQVVFYSA-N 420.479 3.664 0 1 HHAF COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cccc(OC)c1 100705606 ZTQICNBQUKMLTD-LBPRGKRZSA-N 409.467 3.893 0 1 HHAF Cn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cc(Cl)ccc21 147840358 LIWUIOXIUZWEIW-UHFFFAOYSA-N 407.861 3.567 0 1 HHAF O=[SH](=O)Nc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1 148588308 PTBJHZNXVJXIPX-UHFFFAOYSA-N 416.466 3.855 0 1 HHAF O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4CN4CCOCC4)n3)cc2o1 150103247 RUSFGJROQPSPIQ-UHFFFAOYSA-N 411.458 3.883 0 1 HHAF CCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(Cl)c1 169709298 DUVKJXMPEKYOJU-KBXCAEBGSA-N 403.910 3.989 0 1 HHAF CCCCCNC(=O)NCCCC/C=C\CCCCCCC(=O)NS(C)(=O)=O 203750872 GFHVTYAIWQGUAM-VURMDHGXSA-N 417.616 3.619 0 1 HHAF COC(=O)c1cccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219736643 OHNAVMCWXSTXJU-DEOSSOPVSA-N 417.505 3.938 0 1 HHAF O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1cccs1 223671490 ZBSHUSUTPFSFBZ-CYBMUJFWSA-N 422.539 3.841 0 1 HHAF N[C@@H](N=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019428 MCWMJUJRFVMPGK-KRWDZBQOSA-N 407.459 3.978 0 1 HHAF COC(=O)c1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587063948 FUXFQRMYOFIMBR-UHFFFAOYSA-N 423.856 3.911 0 1 HHAF COC(=O)c1ccc(Oc2ccc3nc(-c4cnc(N(C)C)nc4C)[nH]c3c2)cc1 587194543 IZCTTZKNRJQSIC-UHFFFAOYSA-N 403.442 3.973 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(/C=C/C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423544 VJTGCANJKQVFGF-UWQVUWMCSA-N 410.809 3.909 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 587789878 BTMZMIFQZFPJNE-QROBEVECSA-N 403.295 3.969 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 587849778 NSCFQBXXDYFNHF-ANRSDYALSA-N 404.326 3.677 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cccc(N(C)C)c1 587867561 JXKJEMWGGQGFAW-UHFFFAOYSA-N 420.391 3.758 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@]3(CCOc4c(F)ccc(F)c43)N12 962647927 VHFMPEKTADQCRW-PKTZIBPZSA-N 410.420 3.638 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(Cc3cnc[nH]3)c2)N1 962691840 DISIAXKUGJKBGV-OALUTQOASA-N 419.378 3.847 0 1 HHAF CC(C)(C)C(=O)Nc1cnccc1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730683 OVWTVRBDMFKQBT-WBVHZDCISA-N 405.420 3.801 0 1 HHAF O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(N4CCCCC4)ccc3n2c1 1857565218 PFMYZKCSSFJDFU-QHCPKHFHSA-N 402.542 3.907 0 1 HHAF CO[C@@H]1CCC(=O)c2c(O)c(-c3cc(O)c4c(c3O)C(=O)CC[C@H]4OC)cc(O)c21 1911583536 LPKDHIORBUNKFZ-HZPDHXFCSA-N 414.410 3.504 0 1 HHAF COc1cc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc(OC)c1OC 929526 GQJJNMSNWLLMTG-UHFFFAOYSA-N 408.476 3.730 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 72139480 KIXCELKXTTZRLT-GOSISDBHSA-N 409.866 3.714 0 3 HHAF CCCCc1nc(CCCC)n(Cc2ccc(-n3cccc3-c3nnn[nH]3)cc2)n1 1534278 CJPSMBLYVBCGDL-UHFFFAOYSA-N 404.522 3.982 0 1 HHAF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2483272 TZRIWFZGJPDOLR-UHFFFAOYSA-N 422.815 3.679 0 1 HHAF CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCOC)cc1 4055376 SXCJTSCDBSVKAS-PZJWPPBQSA-N 416.905 3.983 0 1 HHAF O=C(c1[nH]nc2c1CCCC2)N1CCOc2ccc([C@@H](O)C3CCCCC3)cc2C1 11911637 XXUOVIYINQAHQD-QHCPKHFHSA-N 409.530 3.937 0 1 HHAF Cc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832265 XDMNPPPPUHTYLO-UHFFFAOYSA-N 410.437 3.938 0 1 HHAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cc3ccccc3s2)c1=O 25426975 NJVSBGMPELZNSV-WBVHZDCISA-N 408.523 3.712 0 1 HHAF biogenic CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc(SC)cc4)[nH]c3=O)S[C@H]2C1 28524617 VLTYSSPWANYJHI-KBPBESRZSA-N 403.529 3.579 0 1 HHAF CC(C)CN1C(=O)C[S@@](=O)[C@@H]1c1cnccc1-c1ccc(Br)cc1 28819639 SCEQKECTMMQORQ-KOSHJBKYSA-N 407.333 3.757 0 1 HHAF COCn1cc([C@](O)(C(=O)O)C(F)(F)F)c2cc(OCc3ccccc3)ccc21 28961330 DDGNIKYWFZWTPX-IBGZPJMESA-N 409.360 3.659 0 1 HHAF CN(C)C(=O)c1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nn2c1 34231949 ZHGJUSXAELCUQZ-UHFFFAOYSA-N 416.460 3.874 0 1 HHAF CCn1cc(-c2nc3ccccc3o2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 43015672 OJBLPFWWEZIAQK-CYBMUJFWSA-N 424.451 3.906 0 1 HHAF COc1ccc(-c2ccn(CC(F)(F)C(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 71295237 UFGGLRGUKYVXOC-UHFFFAOYSA-N 414.408 3.958 0 1 HHAF COc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 72120547 KLDVBUSQZRJHLA-BHDDXSALSA-N 410.543 3.775 0 1 HHAF C[C@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72177810 UVVHDKAZCOOGPE-WMLDXEAASA-N 410.264 3.729 0 1 HHAF O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 73221322 SGBSKNKMLNQHSJ-HOYKHHGWSA-N 420.944 3.787 0 1 HHAF in-vivo CC(C)(C)c1ccc(CNC(=O)C2(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 73224398 WYFHMAYTPGRAGJ-UHFFFAOYSA-N 400.544 3.704 0 1 HHAF Cc1c(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)c2cc(F)ccc2n1CC(=O)O 95563215 VNMNGGYCMZKHPE-UHFFFAOYSA-N 409.392 3.585 0 1 HHAF CC(=O)N1CCN(c2cccc3c2ccn3-c2ccnc(NC3CCCCC3)n2)CC1 96173470 BZOFRQXHTNQEIJ-UHFFFAOYSA-N 418.545 3.834 0 1 HHAF C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@@H]1C5 100880119 PUQMBDFIIVFHRS-OUSOYDJDSA-N 414.505 3.739 0 1 HHAF CC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144874371 OSUXGRHDJQXKPX-NRFANRHFSA-N 415.415 3.853 0 1 HHAF CC(C)(N1CCCS1(=O)=O)[C@@](C)(O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148348108 SJRGTBTUBXPBCK-NRFANRHFSA-N 422.497 3.638 0 1 HHAF Cc1ccccc1N(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149348969 MIBZZAQEYADKJP-GOSISDBHSA-N 408.523 3.930 0 1 HHAF O=C(Nc1ccc(O[C@H]2CCN(C(=O)C3CCCC3)C2)cc1)N1Cc2ccncc2C1 166408273 FJPUKRFFWAIXJV-QFIPXVFZSA-N 420.513 3.799 0 1 HHAF Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 169294716 ZHVWWEYETMPAMX-JSKMBAMBSA-N 415.489 3.838 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(NCC23CC4CC(CC(C4)C2)C3)cc1F 216198550 YNYNRFRTSRAGCR-UHFFFAOYSA-N 414.930 3.797 0 1 HHAF c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cncc(C5CC5)c4)cc32)c1 224862129 AJSPZKRUHWHKOB-UHFFFAOYSA-N 411.513 3.555 0 1 HHAF Cc1c(C(=O)N2CCc3c(ncn3-c3ccc(F)cn3)C2)cccc1C(F)(F)F 225998866 RNLGUFPYLWSHIV-UHFFFAOYSA-N 404.367 3.932 0 1 HHAF C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=Cc1c3ccc(O)c1CO 238739944 LIQMFAHYIGAEHK-VFSDQHESSA-N 400.515 3.691 0 1 HHAF CN(Cc1cn2c(N3CCN4CCC[C@H]4C3)cccc2n1)[C@H]1CCCc2cccnc21 253684886 RZBMNHLGYITPKH-VXKWHMMOSA-N 416.573 3.523 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2c1 586917172 NECXNULWSXOJFH-DJJJIMSYSA-N 401.488 3.860 0 1 HHAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(F)cnc4[nH]3)CC2)cc1 586954758 IKURDWRKAVJNPT-UHFFFAOYSA-N 402.495 3.789 0 1 HHAF Cc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1Br 586979098 GPYUXQLKIJUQTB-UHFFFAOYSA-N 401.308 3.836 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134778 OLSQXNNZWLYQJL-XQRVVYSFSA-N 417.359 3.679 0 1 HHAF COc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(I)c1 587179809 GOYIWSBVRNTZKV-AWEZNQCLSA-N 408.199 3.567 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345791 GPMIDEGADXUFEL-REWPJTCUSA-N 412.413 3.561 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCC(C)CC4)cc1)[C@@H](C2)C3=O 587434992 CSHJNDFJFDYXPD-NBGIEHNGSA-N 421.493 3.821 0 1 HHAF COc1cc2c3c(c1)O[C@@H](C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435171 DJCAUDNVJIGMLV-IMJJTQAJSA-N 403.475 3.573 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(N)cc2C(=O)c2ccc(N)cc21 587472499 ISBODMQDWNICAD-RUZDIDTESA-N 414.461 3.963 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)s1 587611426 INVQETVBRAUIRB-KNQAVFIVSA-N 408.479 3.566 0 1 HHAF COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(C)o2)c(OC)c1 621429325 GODWNZFPARXSRA-LJQANCHMSA-N 409.438 3.698 0 1 HHAF CC(C)(C)[C@@]1(Cn2cccn2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924943 OXKXDOSCKYWDGH-URXFXBBRSA-N 421.497 3.922 0 1 HHAF CCCCCS(=O)(=O)c1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962927451 RDCRFPUKSULECX-JOCHJYFZSA-N 414.571 3.587 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC)cc21 1857578939 FYVXXRPHNQNBHV-UHFFFAOYSA-N 401.510 3.939 0 1 HHAF CC(C)(C)S(=O)(=O)c1cn2c(-c3cc(N)nc(Cl)c3)cnc2cc1OC1CC1 1857746769 CJDAXTDCNODPPT-UHFFFAOYSA-N 420.922 3.745 0 1 HHAF C[C@H](C1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1)N1CCOCC1 13593960 BVHVAVWMCIDPQF-QGZVFWFLSA-N 402.970 3.673 0 3 HHAF CCCc1nc(C)n2ncnc2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 3786590 FWZKQZUEJPQQDN-UHFFFAOYSA-N 410.485 3.823 0 1 HHAF Cc1cc(C)c(CN2CCOc3ccc(CN4CCC[C@@H](C(N)=O)C4)cc3C2)cc1C 11786760 PXFWZSLMAHNQIG-JOCHJYFZSA-N 421.585 3.704 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1 13133477 PUDOZZTYLABBEU-UXLLHSPISA-N 415.559 3.727 0 1 HHAF O=C(N[C@@H]1CC[C@H]2C[C@@H](N3CCN(c4ccccn4)CC3)CC[C@@H]2C1)c1ccccc1 18178875 OVQXIVRARLGKOO-QPXUXIHVSA-N 418.585 3.971 0 1 HHAF Cn1cncc1Cn1cc(C(=O)N2CCOCC2)c(-c2cccc3ccccc23)c1 26821756 SFPGSGWLJOJIDY-UHFFFAOYSA-N 400.482 3.563 0 1 HHAF NC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 35323830 RXOPXWXSPRUYEI-UHFFFAOYSA-N 420.509 3.976 0 1 HHAF O=C(CN(Cc1ccco1)C(=O)c1cc2ccccc2oc1=O)Nc1ccccc1 40011563 GMCSEBJUWGPIBF-UHFFFAOYSA-N 402.406 3.667 0 1 HHAF CC[C@@]1(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](CO)Oc2c(F)ccc(F)c21 49124822 FZYSHOYLPJWVPZ-KPZWWZAWSA-N 402.846 3.841 0 1 HHAF CC(C)=CCc1c(O)ccc2c1O[C@@]1(O)c3cc4c(cc3OC[C@@]21O)OC(C)(C)C=C4 59729351 MWXSRUJUWMLCJD-RPBOFIJWSA-N 422.477 3.903 0 1 HHAF biogenic,in-vitro CC(C)(C)OC(=O)N1CCc2c(sc3ncn(-c4cccc(C=O)c4)c(=O)c23)C1 84689808 QXKBINIHWUVADL-UHFFFAOYSA-N 411.483 3.553 0 1 HHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC)[C@@H]2CN(CC)C(=O)c2ccccn2)cc1 95667105 ZDDUBPABKWWDDN-JTKUZPROSA-N 407.558 3.816 0 1 HHAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCc1nn[nH]n1 101171519 ZWYMZEPNFDGEGR-BEAJWSOQSA-N 408.546 3.983 0 1 HHAF Cc1ccc(-[n+]2noc(O)c2CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1 103194412 ZFJYXCLRPRBVDS-UHFFFAOYSA-O 420.320 3.594 0 1 HHAF NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)c(CCCO)o2)c1F 103234543 SQDNURCFEUZBED-UHFFFAOYSA-N 422.815 3.876 0 1 HHAF C=C1O[C@H]([C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2ccc(OC)c(OC)c21 238784997 XKIFTXQTBJZSEZ-UXHICEINSA-N 411.454 3.712 0 1 HHAF COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(C)cc2)[nH]n1 299811563 GNQSKLDWVQJYEV-LPHOPBHVSA-N 423.513 3.555 0 1 HHAF COc1cc(Nc2nc3n(n2)CCCN3Cc2ccccc2)ccc1-n1cnc(C)c1 299834240 RDPXIFBTABKBRO-UHFFFAOYSA-N 415.501 3.935 0 1 HHAF O=C1C[C@H](c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)NC(=O)N1 299861064 HQKGDOBTWFOSJB-CQSZACIVSA-N 418.331 3.818 0 1 HHAF O=C1C[C@H](c2nc3cc(Br)cnc3[nH]2)CN1Cc1ccc(F)cc1F 587148625 JBHAWYVUFGIVKI-JTQLQIEISA-N 407.218 3.515 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2c1 587244581 PTZJFMYDVADKKD-BQYQJAHWSA-N 400.232 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(S(C)(=O)=O)cc4)n1)[C@@H](C2)C3=O 587447528 BJLPHAVYRLKSPA-GAJHUEQPSA-N 421.474 3.649 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1)[C@@H](C2)C3=O 587448092 BMABLFMFSVKPLX-MZGVDSNGSA-N 410.466 3.548 0 1 HHAF O=C(O)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587596425 OOSCRWAONUXTCY-NZQKXSOJSA-N 406.390 3.949 0 1 HHAF CC(=O)NCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613383 OMQJJYWYNFNKGS-UGKGYDQZSA-N 409.463 3.967 0 1 HHAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C1CC1 587756822 FOFSIQNHEXLYRM-DGIBIBHMSA-N 407.283 3.668 0 1 HHAF CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1=O 587790478 IJULAOHPKOWLQU-HDZZMESHSA-N 422.342 3.553 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811913 XWCVMQDPRAJWEH-MPBGBICISA-N 422.294 3.938 0 1 HHAF COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587834800 MHZIILQYYDNKJD-OVWNDWIMSA-N 408.267 3.992 0 1 HHAF COc1cc(-c2nnc3ccc(-c4ccc(N5CCN(C)CC5)cc4)cn23)ccc1O 653685079 XNULTLQSRASKMP-UHFFFAOYSA-N 415.497 3.529 0 1 HHAF CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1 1857774041 UOMWSKSFOUHOSR-UHFFFAOYSA-N 409.921 3.591 0 1 HHAF COc1cc(C=CCO)ccc1O[C@H](C)[C@H](OC(C)=O)c1ccc2c(c1)OCO2 2356633121 YKCQRENZSQIALG-PEBXRYMYSA-N 400.427 3.501 0 1 HHAF O=C1c2ccccc2CCN1CCCCN1CCN(c2nsc3ccccc23)CC1 1537576 XUBYSOXUXGRFJY-UHFFFAOYSA-N 420.582 3.897 0 1 HHAF COc1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCc3ccccc32)cc1 43528199 IGGNDEPGIIJOGR-KCZVDYSFSA-N 420.557 3.590 0 1 HHAF biogenic CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)NCCc1cccc(Cl)c1 45201518 RGXIKHMWNWLWTE-UHFFFAOYSA-N 406.983 3.644 0 1 HHAF Cn1c(=O)n([C@H]2CCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 71315968 CMAXRDZPNRLDDJ-KRWDZBQOSA-N 411.465 3.995 0 1 HHAF F[C@@H]1CNCC[C@H]1n1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1 71331425 XMUIHQBLEQJXIH-NHCUHLMSSA-N 400.461 3.779 0 1 HHAF COc1ccccc1OC[C@@H](O)CNCCOc1cccc2[nH]c3ccccc3c12 96939467 LBSCMGLWYCRKQK-KRWDZBQOSA-N 406.482 3.738 0 1 HHAF Cc1ccccc1CN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C 115733562 LYKZUUHTOWCBKK-UHFFFAOYSA-N 407.474 3.592 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 149927682 PZURKFMDNKKURZ-LIRRHRJNSA-N 401.457 3.917 0 1 HHAF O=C(NC[C@@H](c1ccc(Cl)nc1)N1CCOCC1)c1cccc(Cl)c1Cl 207596188 BOCDCRVUZFPXEC-HNNXBMFYSA-N 414.720 3.845 0 1 HHAF COc1c(F)cccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225044400 HFURZUNQTVHNKM-UHFFFAOYSA-N 410.430 3.640 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 299881583 OFKNZQVVDSXAEA-NUVSXXQVSA-N 418.537 3.943 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)o1 586923481 NBLXVPKQTUFPOY-UHFFFAOYSA-N 400.435 3.597 0 1 HHAF O=C(CCc1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023736 GMQVIFNCFVCHOQ-UHFFFAOYSA-N 420.285 3.750 0 1 HHAF Fc1ncc(Br)cc1-c1nc2cc(I)cnc2[nH]1 587178214 VKWLWHUSEWDJIA-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580427 HZBWUHBHIAXECP-QZTYOQMJSA-N 419.481 3.675 0 1 HHAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C=O)c1 587591624 HGTVEORUTDQFAM-SIKLNZKXSA-N 404.374 3.694 0 1 HHAF COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807282 KSOLFQNUIOWPII-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 587870906 UZZIOQAGUGAWNT-HNNXBMFYSA-N 411.408 3.920 0 1 HHAF C[C@@H]1CN(Cc2cccc(C(=N)N)c2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653738939 XFCBYZFSKKFRQH-LJQANCHMSA-N 419.573 3.509 0 1 HHAF CC1(C)C[C@]2(c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c2ccc(O)cc2O1 962658974 FAJQXIIFTAVYPI-DQEYMECFSA-N 418.493 3.844 0 1 HHAF C[C@]1(CC(=O)NCc2ccc(Cl)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962766709 OUQXOSPKEXZPCK-FXAWDEMLSA-N 424.850 3.907 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C[C@@H]1CCCOC1)N(C(=O)c1ccccc1N)CC2 963134770 CUAIYLVYRFWUCB-HRAATJIYSA-N 410.514 3.842 0 1 HHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2sc(O)nc2Cl)N1 963202395 ZFIXOODXAJANJB-BDAKNGLRSA-N 413.204 3.863 0 1 HHAF COc1cccc(-c2nc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)co2)c1 963218002 BJJKAHOCQIBQEH-TZIWHRDSSA-N 401.422 3.587 0 1 HHAF CC(C)[C@@H](N)[C@]1(C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963415200 KVWTZICOTQZTAQ-DCLXLUIPSA-N 405.498 3.518 0 1 HHAF O=C(N[C@@H]1CCC[C@H]1Cc1cc(C(F)(F)F)ccn1)c1ccccc1-n1nccn1 1772606047 MDUDGDCORVMJGD-KBXCAEBGSA-N 415.419 3.822 0 1 HHAF Cc1cc(-c2nc3cnc(OCC4CC4)cc3n2[C@H](C)c2cccnc2)cn(C)c1=O 1772613874 FCMMKSLAUYKORR-MRXNPFEDSA-N 415.497 3.899 0 1 HHAF O=C(/C=C/c1cccnc1)NCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1 1857584259 XARRKOBDVTXFBF-NTCAYCPXSA-N 421.522 3.645 0 1 HHAF O=C(c1c[nH]c2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 2356427705 KRBMRKCWXILMNK-JRSMBCBASA-N 403.526 3.563 0 1 HHAF CC(=CC=CC=C[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)C2(C)C)[C@@H]1[C@H](C)C(=O)[C@@](C)(O)[C@@H]1C 2356440998 ZWOJZMXXTIYXQZ-IVZHUCAPSA-N 414.542 3.814 0 1 HHAF COc1c(C)c(C=CC=CC=CC(C)=C[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C 2356580521 WQOZGNFAVRFSGE-JMBSJVKXSA-N 416.514 3.626 0 1 HHAF CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(N)c2)c2ncn(C(C)C)c2n1 582599 DHCJDXXRSBEGSO-HNNXBMFYSA-N 403.918 3.815 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)NC[C@@H]1CCCO1)[C@@H]2O 13681914 UPLQUPWXNBLNQX-CXHVQCDNSA-N 413.558 3.521 0 1 HHAF COc1c(C)c(C)c(I)c(O)c1C/C=C(\C)CCC(=O)O 13759743 ZNECRXOHPVRMKX-WEVVVXLNSA-N 404.244 3.976 0 1 HHAF CCCc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 13826206 HPVXSYPPDHKEMQ-IBGZPJMESA-N 411.498 3.816 0 1 HHAF CCNC(=S)Nc1ccc(S(=O)(=O)Nc2nc3ccc(F)cc3s2)cc1 28899372 HGHVUAHDPYKYQD-UHFFFAOYSA-N 410.521 3.543 0 1 HHAF CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCCc2ccccc2)cc1 29224130 GXDYUJHLPNEPQM-JOCHJYFZSA-N 414.571 3.541 0 1 HHAF COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@]2(C)[C@]3(C)I)ccc1O 40791256 KMCWFSRJAGUCQK-RNCIANSQSA-N 416.255 3.940 0 1 HHAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@@H](C(C)C)C1 45286324 MTWVWDHCVNCXAC-AZGAKELHSA-N 409.618 3.716 0 1 HHAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O 82221857 VLTLFFCGURYWTD-UHFFFAOYSA-N 410.497 3.543 0 1 HHAF CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1 95577619 HKGNTONFNOVELX-UHFFFAOYSA-N 403.504 3.806 0 1 HHAF COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2ccccc2)cc1 95893632 ZXOBBKUOKCACCL-ISJGIBHGSA-N 414.505 3.685 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5cnccc45)ccc31)[C@H]1CC[C@@H](C2)N1 96175251 IDSDRTXJSSYVFT-HNAYVOBHSA-N 403.507 3.909 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)[C@@H]1CC[C@@H](C2)N1 113225982 KHANLFXXTGWBLA-KKSFZXQISA-N 412.493 3.652 0 1 HHAF CCCCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169358737 BARMHYIDIPSZOD-MGHCRLSISA-N 423.553 3.786 0 1 HHAF O=c1n(Cc2cc3ccc(Cl)cc3n2CCCCO)c2cnccc2n1C1CC1 200594620 WITHOBURGRKGEF-UHFFFAOYSA-N 410.905 3.962 0 1 HHAF C[C@H]1Cc2c(nnn2-c2ccn[nH]2)[C@H](C)N1C(=O)c1cccc(C(F)(F)F)c1Cl 225998422 IQRKGPSJDGZJEV-UWVGGRQHSA-N 424.814 3.811 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H](CC(=O)OCC)C(=O)OCC)CC2=O 587481534 NATKJPOQQOSUPB-PEBXRYMYSA-N 406.475 3.591 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3C2=O)N1 587761306 PCWZSFYFLGIORJ-GIPWTMENSA-N 417.278 3.634 0 1 HHAF CCOC(=O)[C@@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587770375 JAROMMCGRDLENZ-CWTRNNRKSA-N 407.283 3.633 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c[nH]c3ccccc23)N1 587801702 HUFPKZSDAWIUDA-DGIBIBHMSA-N 403.251 3.932 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3s2)(C(O)O)N1 587858041 OFVUSXPZPKGFIR-DGIBIBHMSA-N 422.319 3.891 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CNC2CCCC2)(c2ccccc2)N1 962979494 SMILYDGVBFABLJ-AVRDEDQJSA-N 420.887 3.993 0 1 HHAF O=Cc1c(Cl)[nH]c([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1Cl 962980464 UTUWKARHEFTUHH-QPUJVOFHSA-N 409.603 3.754 0 1 HHAF COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)NCCc2cc3cccc(OC)c3nc21 963052714 GPBDXJFPQSVDDR-QHCPKHFHSA-N 424.884 3.684 0 1 HHAF CCCC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 1857559376 SPYKFGPVLIRFSO-YTLYINRMSA-N 406.563 3.645 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2nccs2)CC[C@]1(C)O 2356289633 PUVIKKRNTKUTEP-GGPKGHCWSA-N 407.605 3.824 0 1 HHAF O=C(O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305908 SDJCBWBHYHJOKV-LSDHHAIUSA-N 416.497 3.700 0 1 HHAF CC=Cc1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)cc3)c(C)c2c1 2356531244 TWGHXVKHVUGVCO-ZFWANCBESA-N 410.466 3.648 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 2356725967 PCOBWHLXUVIGDB-HFMPRLQTSA-N 420.534 3.885 0 1 HHAF Cc1ccc(CNC(=O)C[S@](=O)Cc2nc(-c3ccccc3F)oc2C)cc1 5057880 GZBYUPLJDVPNND-NDEPHWFRSA-N 400.475 3.663 0 3 HHAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 769887 SHTLUYABPONGLQ-FQEVSTJZSA-N 421.419 3.708 0 1 HHAF COc1cc(-c2n[nH]c(C)n2)ccc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl 3937843 FDBILUGWWSRECX-UHFFFAOYSA-N 421.791 3.682 0 1 HHAF O=C(Cc1nc2ccccc2[nH]1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 11912059 AFTPHESQFFPHHI-UHFFFAOYSA-N 414.513 3.981 0 1 HHAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(F)c2)C[C@@H]2CC[C@H]1N2C 27984735 MFXOPVPJQXKRIK-SAUZDDAKSA-N 401.263 3.976 0 1 HHAF CN1CCOc2c(C(=O)NC[C@@H]3CCCN3CCc3ccccc3)cc(Cl)cc21 28248590 ZIGNSANQGXWXBU-IBGZPJMESA-N 413.949 3.606 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@H]12 29571378 ROBLJKDXALYRTO-SXVSXJBJSA-N 424.578 3.796 0 1 HHAF c1ccc(Cn2ccc3c(OC4CCN(Cc5nccs5)CC4)ncnc32)cc1 84602694 VGRQDGIETJVJMO-UHFFFAOYSA-N 405.527 3.980 0 1 HHAF O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1cccc(Cl)c1 95898416 IBOMDJXDECXQMM-NQIIRXRSSA-N 410.905 3.568 0 1 HHAF C[C@H]1C[C@@H](N)CN(c2ccncc2Nc2ncc3ccc(-c4ccccc4F)nn23)C1 142901466 OTWLCRXTCIMBPE-JKSUJKDBSA-N 417.492 3.848 0 1 HHAF O=C(NCCN1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1C[C@@H]1c1ccccc1 169321588 SWDDZHKYEVETEN-MOPGFXCFSA-N 415.940 3.517 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C3CC4CC(C3)CC2C4)cc1F 225230755 OKLUDWZPBLYJJR-UHFFFAOYSA-N 421.534 3.844 0 1 HHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 586880058 MANOCXDGHQUBND-UHFFFAOYSA-N 407.451 3.551 0 1 HHAF CC(=O)N[C@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 586983908 ANFCDPXOKSQZQP-CQSZACIVSA-N 420.238 3.583 0 1 HHAF O=C(Nc1ccc(Cc2nc3ccnc(O)c3[nH]2)cc1)c1ccc(Br)o1 587008381 VJKLAIURPOVARC-UHFFFAOYSA-N 413.231 3.862 0 1 HHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)c(C2CC2)n1 587230716 XWIJULYQNHSXJY-UHFFFAOYSA-N 407.474 3.626 0 1 HHAF C[C@H](Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(=O)O 587594419 KVDNXBYXSMIYGR-PSMUNZOPSA-N 406.390 3.947 0 1 HHAF CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 587596192 RFZIQORVQMVDQG-WIOPSUGQSA-N 416.477 3.847 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598064 WBPWBEOXIVGAAF-PBQLSTJBSA-N 423.465 3.979 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600112 LHUJWRVGPBDZGA-HYBUGGRVSA-N 420.417 3.821 0 1 HHAF Cc1nn(C[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br 587650965 JFILYNNYFDOXDK-SECBINFHSA-N 423.698 3.602 0 1 HHAF CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 587653520 BCRSPXWEJWZLLC-CYBMUJFWSA-N 405.882 3.727 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3[nH]cnc3C)c(=O)c3ccccc23)cc1OCC 587670259 RCMGPRYVKJFFNE-UHFFFAOYSA-N 418.453 3.581 0 1 HHAF COc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862196 HFWSAYUSCNTRTM-UHFFFAOYSA-N 419.359 3.865 0 1 HHAF COc1cc(C)c(C(=O)NC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C 653842765 MFXFJCTWTYLVGK-HXUWFJFHSA-N 407.470 3.510 0 1 HHAF CCOC(=O)CCC[C@@]1(c2cccc(F)c2)NCCc2ccc(C(=O)N(C)C)cc21 962926246 ARRKPQVXAXHYGI-DEOSSOPVSA-N 412.505 3.650 0 1 HHAF CC(C)(C)OC(=O)NC[C@@H](CC1CCOCC1)[C@H]1NCCc2c(C(=O)O)cccc21 963120411 HNXDOZPPDTTXRK-OXQOHEQNSA-N 418.534 3.529 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c(Cl)[nH]1 1857551049 QFQDDBBCCDURLZ-MRXNPFEDSA-N 401.898 3.981 0 1 HHAF COc1ccc(CCNc2c(-c3ccc4nccn4c3)nc3cnccn23)cc1OC 1857600757 RNDPDDRAIAAKRJ-UHFFFAOYSA-N 414.469 3.716 0 1 HHAF Cc1ccc2nc(C[C@@H]3CN(C(=O)NC4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302688 OYUCNLVTQIPSRD-DLBZAZTESA-N 412.534 3.869 0 1 HHAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 2356669444 BTFQJFZPYGOKLE-UGKGYDQZSA-N 410.493 3.877 0 1 HHAF Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c(C)c1 5066954 DWDDBDJWOXJEMQ-IBGZPJMESA-N 409.511 3.643 0 3 HHAF COc1cc2c(cc1OC)[C@@H](C(=O)NCCC1=CCCCC1)[C@H]1CCCCN1C2=O 2456136 VCISTBPUZYKIGI-DENIHFKCSA-N 412.530 3.802 0 1 HHAF COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc([C@H]3CCOC3)oc12 13437935 XKDMBJJSWDXWNU-VIFPVBQESA-N 424.240 3.533 0 1 HHAF CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CCNCC1 28572293 XYUMIRJLHXWAGA-QFIPXVFZSA-N 413.468 3.915 0 1 HHAF Cn1c([C@](C)(O)CS(=O)(=O)Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 28890448 DOKWLUMHOZSYBP-GOSISDBHSA-N 413.326 3.703 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 33820784 JHRTZPAZZAJUCF-UKQTYHSRSA-N 406.563 3.657 0 1 HHAF CN(C)CCN(C)c1cccc2nc(CN3CCC[C@H]4CCc5cccnc5[C@H]43)cn12 36478878 SHKQJZOPCXGRIK-CPJSRVTESA-N 418.589 3.627 0 1 HHAF O=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 40391127 DNZKUFQHNRWFLR-UHFFFAOYSA-N 413.562 3.878 0 1 HHAF Cc1cc(C(=O)N(C)C)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40395103 NBRWYFJSLJBYKG-QGZVFWFLSA-N 402.878 3.739 0 1 HHAF O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 43021866 KTWYLVBESSWDKQ-NRFANRHFSA-N 406.482 3.870 0 1 HHAF Cc1n[nH]c2c(C)cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)C)cc3O4)cc12 73313705 POQBAOOHSSEVOU-UHFFFAOYSA-N 421.501 3.597 0 1 HHAF COCCn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 82179803 VXERIELLMDVVHI-UHFFFAOYSA-N 403.486 3.890 0 1 HHAF CN(CCOc1ccc(C(F)(F)F)cc1)CCc1ccc(NS(C)(=O)=O)cc1 95543806 CPFWIMJOSRMYOR-UHFFFAOYSA-N 416.465 3.630 0 1 HHAF COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633108 OOGGORAJSDBXIE-LIRRHRJNSA-N 421.522 3.850 0 1 HHAF CC(C)c1cccc(N2C(=O)c3ccccc3[C@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 116257548 ZORRHPHSEMTNSF-RUZDIDTESA-N 414.461 3.995 0 1 HHAF CC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1 144401611 KLCURDNWGRHKIP-HXUWFJFHSA-N 419.485 3.563 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@H]3CC[C@]12C 169325334 ZMAIFLOHRXCDQS-AROVDQBMSA-N 418.622 3.959 0 1 HHAF CCC[C@@H](C(=O)O)N(Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)C(=O)CC 207690565 FXELTRKWYHPHAE-IBGZPJMESA-N 423.469 3.689 0 1 HHAF in-vitro CC1(C)CCC[C@@H](Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)C1 216259423 ATOATKRVNBEGLJ-OAHLLOKOSA-N 424.538 3.731 0 1 HHAF CC(=O)OC[C@]1(C(=O)O)[C@H]2CC[C@]34C[C@@H]5[C@H](C[C@H]3[C@]2(C)CC[C@H]1OC(C)=O)[C@]5(C)C4 238740360 LHKQQWKOWNPPSN-SLKIMHQUSA-N 418.530 3.815 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@H]2CC[C@H]1N2C 253681872 ABXUYGWOEIXKBD-VOZWJMJSSA-N 411.283 3.832 0 1 HHAF Cc1nc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1Br 587132823 VMNTYIADUHIGRU-SECBINFHSA-N 417.254 3.998 0 1 HHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(CCO)cc2[nH]1 587168128 SOFWLLJHHHONAE-UHFFFAOYSA-N 417.487 3.766 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2cnc3ccccc3c2[nH]1 587183461 ZRFKQJQPWLZYNW-JTQLQIEISA-N 403.227 3.830 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587202097 FKUQLIJSOYSVTA-HNNXBMFYSA-N 423.347 3.904 0 1 HHAF CCOC(=O)C(=O)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350620 RWBWCVUNZCDZOO-UGKGYDQZSA-N 400.402 3.561 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3o2)(C(O)O)[C@H]1c1ccc(F)cc1 587358266 WGGVGHNHCCFNMS-URXFXBBRSA-N 420.392 3.843 0 1 HHAF CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587428199 IIPLAZWPLMATQE-LGYBERERSA-N 420.509 3.786 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595906 PTAFVMXZOBQIFT-REWPJTCUSA-N 406.390 3.867 0 1 HHAF COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587724308 GTLKZEGHDQYAON-DYBLOJMWSA-N 414.221 3.817 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587789192 AKGUFFUMNYXEHE-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)n2ncnc2N1C 587796835 QTBWENIUWIXVCR-KFHAODIQSA-N 420.330 3.914 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587799091 WDPLYBVQOIGTTC-DGIBIBHMSA-N 405.267 3.635 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807223 KDSXGSGSGPYBGW-MPBGBICISA-N 422.294 3.938 0 1 HHAF COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808588 OPTSQEUTSUZNBH-FKIZINRSSA-N 420.278 3.764 0 1 HHAF COc1nc(N(C)C)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587852099 KLCDNZGZMRPVRE-ISVAXAHUSA-N 400.317 3.743 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4CCC(=O)[C@H]4C)[nH]c3c2)cc1 587963620 PJTZKYYZIDPJEO-KBPBESRZSA-N 413.499 3.530 0 1 HHAF Cc1ccnc2c1CCN[C@@]2(c1cccc(CN2CCOCC2)c1)c1ccccc1F 963087061 KZIHONVCKWGNJO-SANMLTNESA-N 417.528 3.799 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cc(F)cnc1Cl 963132456 BJFRQJRDHLFSQV-NWDGAFQWSA-N 413.858 3.666 0 1 HHAF CN(C)C(=S)SC(=S)N1CCN(C(=S)SCc2ccccc2)CC1 1857634186 FSWNCEBWRQSBTK-UHFFFAOYSA-N 415.700 3.687 0 1 HHAF CCOC(=O)C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CCN1CCCCC1 2356827692 IOMQQFWDBUFLMA-FGZHOGPDSA-N 400.563 3.523 0 1 HHAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC1CC1 13559122 WJOSEDLKDDDWGY-KRWDZBQOSA-N 420.554 3.766 0 1 HHAF O=C1[C@H]([C@@H](O)COc2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 26179935 MMNZCESXFOCVMF-BDTNDASRSA-N 411.404 3.814 0 1 HHAF O=C(NCc1cccnc1)c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nn1 28655387 QEZJIPIYCLGSET-UHFFFAOYSA-N 423.904 3.503 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 100043732 WHOYCZAZHQFDDJ-GREBRCKQSA-N 401.572 3.564 0 1 HHAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3c3cccc(Cl)c3)cc2N1 116257902 NPMXBHGHCRPSIO-QFIPXVFZSA-N 406.825 3.525 0 1 HHAF C[C@@]1(c2cc(NC(=O)c3cnc(-c4ccc[nH]4)cn3)ccc2F)C=CSC(N)=N1 139593957 NAYPRQJJWJRCGV-FQEVSTJZSA-N 408.462 3.654 0 1 HHAF C/C(=C\C=C\C=C\C=C\[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C)[C@@H]1O[C@@H](C)C=C[C@@]1(C)O 140620003 PZGCPRNZYVNMNV-JHULGNMRSA-N 412.526 3.853 0 1 HHAF CCNC(=O)Cc1nn(Cc2nc(-c3ccc(C)cc3)cs2)c(=O)c2ccccc12 209639945 FCPKOCUPLGSOCH-UHFFFAOYSA-N 418.522 3.555 0 1 HHAF Cc1cc(C(F)F)cnc1C(=O)Nc1ccc(F)c([C@@]2(CF)N=C(N)O[C@@H]3C[C@@H]32)c1 226094787 CZKFEPSFLKILCP-XBHMSOGKSA-N 422.382 3.617 0 1 HHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1 586937050 VRBSWJAIDJMXCQ-UHFFFAOYSA-N 422.816 3.797 0 1 HHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 586950726 BQTMYQPTMHYXPY-UHFFFAOYSA-N 421.729 3.782 0 1 HHAF COc1cncc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586955013 RKGPPIBNSXPTJA-UHFFFAOYSA-N 422.510 3.688 0 1 HHAF Oc1nc(S)nc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc12 587021011 HJAXWQYQIPZUDV-UHFFFAOYSA-N 419.495 4.276 0 1 HHAF C[C@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522915 FKLHYAWEOPJGII-XMMPIXPASA-N 403.434 3.986 0 1 HHAF COC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587591596 DBFLRHMGEGSWGG-OFNKIYASSA-N 406.390 3.647 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncncc2Br)N1 587675912 BIRAIIVARRUTMH-GLEZIHRCSA-N 415.104 3.938 0 1 HHAF COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587787463 VWZAHWAIEQLGTB-GFCCVEGCSA-N 421.906 3.759 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587806114 JENNPNVFZQTFCY-MSIBFWPZSA-N 404.279 3.831 0 1 HHAF Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1 653782476 GVEURWJFYNZAPS-UHFFFAOYSA-N 413.359 3.589 0 1 HHAF C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)NCCc3cc(Cl)ccc32)C1=O 963391660 WFEAPSWMIOERCT-GMAHTHKFSA-N 412.917 3.739 0 1 HHAF O=C(NC1(CO)CC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772600415 IZVHHFKTEOXPQG-UHFFFAOYSA-N 403.360 3.696 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](CO)C1 1772632476 OSPYCYCCLNKMPL-CYBMUJFWSA-N 417.387 3.895 0 1 HHAF O=C(COc1nc(N2CCc3ccccc3C2)nc2ccccc12)NCc1ccccc1 1911580816 IMWSBFPNMIQJQZ-UHFFFAOYSA-N 424.504 3.888 0 1 HHAF CC(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C(C)C 2356335651 CIVSJMYWHIZNJZ-RTBURBONSA-N 402.443 3.772 0 1 HHAF C[C@H]1[C@H](COc2ccc3ccc(=O)oc3c2)[C@]2(C)CCC(=O)[C@@H](C)[C@@]2(C)O[C@H]1O 2356537423 SGAGBYUEVHJQBY-BGBARMEZSA-N 400.471 3.537 0 1 HHAF Cc1ccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl 13782336 FXPJQHOEFHTFSI-UHFFFAOYSA-N 423.948 3.871 0 1 HHAF COc1ccccc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 18285419 SAHPPZJDNUZVEW-LWYUSKRHSA-N 422.319 3.911 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(C(=O)CCN3CCCCC3)cc1)C2 40866162 MATSOBDAASYNOA-XMMPIXPASA-N 423.509 3.949 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@H]3CC[C@@]21C 58584272 ZMAIFLOHRXCDQS-AVJYTDLHSA-N 418.622 3.959 0 1 HHAF COc1ccc(CN2[C@@H]3CN(C(=O)c4ccccc4)c4ccccc4[C@@H]3[C@@H]2CO)cc1 95893540 IINGEUWWZKSYRS-DSITVLBTSA-N 414.505 3.685 0 1 HHAF COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175353 LXEZJBNRKHCPSS-WBMJQRKESA-N 400.475 3.508 0 1 HHAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cccc(F)c1 96931532 LTIVRKUKSSJAFJ-NRFANRHFSA-N 402.429 3.682 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@]4(C)[C@H]3CC[C@]12C 103191539 ZMAIFLOHRXCDQS-UTNYMTASSA-N 418.622 3.959 0 1 HHAF COc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(C)cc3)C2)ccc1-n1cnc(C)c1 103225497 FHCRHZYJGNVIBN-JOCHJYFZSA-N 418.541 3.892 0 1 HHAF CSc1nc2c(Cc3ccccc3)cccn2c(=N)c1S(=O)(=O)c1ccccc1 103270614 OTEMCZFGFGQNIJ-UHFFFAOYSA-N 421.547 3.959 0 1 HHAF CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(Cl)cc4C)C3)n2)c1 118584046 SAJQUEIFIFRZQL-UHFFFAOYSA-N 423.904 3.809 0 1 HHAF CC(=O)N1CC[C@]2(SC(c3cc(F)ccc3F)=NN2C(C)=O)c2ccccc21 141826427 KLSJYXRHPFHDGE-FQEVSTJZSA-N 401.438 3.831 0 1 HHAF O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1OCCC(F)(F)F 143172623 VJQLAXPDRDVYNG-UHFFFAOYSA-N 410.270 3.857 0 1 HHAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1 144862485 MLPJIYXHHVPOPK-AWEZNQCLSA-N 421.455 3.741 0 1 HHAF in-vitro CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc3c(ccn3C)c2)C(=O)O1 169353135 YHESSERBDSKRDZ-RPISRQAYSA-N 413.514 3.999 0 1 HHAF CC[C@@]1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O 205667241 YHVZOKPCJPRLSB-DEOSSOPVSA-N 419.456 3.815 0 1 HHAF COc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)cc1 220189843 JTQLLIXCAZUFFA-FQEVSTJZSA-N 404.466 3.700 0 1 HHAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cn1)C2 226049903 LWZHHMRTEVQFEO-GLQYFDAESA-N 410.371 3.501 0 1 HHAF C[C@@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586962591 SINVEDFTCWFECF-OAHLLOKOSA-N 417.556 3.578 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4c(O)nccc4[nH]3)cc2cc1Br 587000228 OCPSTZYQRCFNLD-UHFFFAOYSA-N 402.204 3.598 0 1 HHAF N=C(N)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 587167089 HTOIXQRQACNDIK-UHFFFAOYSA-N 415.475 3.515 0 1 HHAF COc1ccc(OC)c(CC(=O)c2c(CO)oc3cc(Br)cnc23)c1 587273087 HRHISYIBTIBDCY-UHFFFAOYSA-N 406.232 3.525 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN(C)C)c(Br)c1)O2 587376192 IEVODZZEIHEVJD-IBGZPJMESA-N 419.319 3.987 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(OC(C)(C)C(=O)O)ccc41)[C@@H](C2)C3=O 587441960 WFFFGVYKYMWNEL-UUOWRZLLSA-N 408.450 3.916 0 1 HHAF COc1cc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC 587521293 BSJKOYZYDYIWMM-QHCPKHFHSA-N 412.438 3.537 0 1 HHAF COc1ccc(Br)cc1-c1[nH]c2c(C(=O)O)cccc2c1CC(=O)O 587636983 RMRNDRCVMFSFFO-UHFFFAOYSA-N 404.216 3.931 0 1 HHAF CC(=O)SCc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O 587939226 JGRGQSUPHQBDHJ-OAHLLOKOSA-N 413.337 3.744 0 1 HHAF Cn1nccc1-c1ccccc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962697673 LTVRQYHZJPQEDI-HKUYNNGSSA-N 419.378 3.933 0 1 HHAF COc1cccc2c1OCCC[C@]21N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973170 VHKYIPZZFDCTEC-XOBRGWDASA-N 409.816 3.642 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccn2)(c2cccnc2Cl)N1 963237377 XVNVNUZZLZMNAY-AUSIDOKSSA-N 416.868 3.569 0 1 HHAF Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1857606343 WSMLOPWIRSVVSM-UHFFFAOYSA-N 412.486 3.543 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2cccnc2)CC[C@@]1(C)O 2356742656 PVGRHWYGVBPSRC-TUNNFDKTSA-N 401.576 3.762 0 1 HHAF COc1cc2c(c(O)c1OC)[C@H](O)[C@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 5922991 OIHLTMSXVOAYSE-ZPMCFJSWSA-N 405.450 3.690 0 1 HHAF Cc1cc2c(c(C)c1CCO)C(=O)[C@H]([C@@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 14594730 XRQNPZAVERMVOM-QFQXNSOFSA-N 404.506 3.945 0 1 HHAF biogenic,in-vitro Cc1ccc2nc(N)n(CCCN(C)CCCn3c(N)nc4ccc(C)cc43)c2c1 29399309 YCZXWKJESOOZSM-UHFFFAOYSA-N 405.550 3.579 0 1 HHAF Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2c1cnn2-c1cccc(F)c1 49112007 HYOOTYXNKQBNBM-UHFFFAOYSA-N 402.433 3.899 0 1 HHAF O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 95894466 NRCUBNRGHKUPJF-FDFHNCONSA-N 423.488 3.723 0 1 HHAF CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5CC5)c4)c2C1)CC(C)(C)CC3=O 169307794 XGHMJWBQMCKFLJ-UHFFFAOYSA-N 420.557 3.541 0 1 HHAF C[C@@H]1c2nnn(-c3ncccn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 218475914 JISUUUIVIFZISP-SNVBAGLBSA-N 420.782 3.917 0 1 HHAF Oc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1 221165724 LTYHUAMWNDMPOK-SMIHKQSGSA-N 405.494 3.538 0 1 HHAF CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3nc4ccccc4s3)cc2)n1 299871586 YTJVYJMRKYPYTQ-UHFFFAOYSA-N 420.454 3.882 0 1 HHAF COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccc(O)c1 299883053 QSMLDVGDBLTLRF-CCPTVDRVSA-N 413.470 3.797 0 1 HHAF CC(=O)O[C@H]1C[C@@H]2[C@@H](O)[C@]3(OC2(C)C)[C@H](C)CC[C@H](OC(=O)c2ccccc2)[C@@]13C 473133136 YDKDOXKZJPMEFS-VIJIUCOUSA-N 416.514 3.508 0 1 HHAF O=S(=O)(Cc1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1 586921506 JLAWIJKAECMYHU-UHFFFAOYSA-N 404.451 3.786 0 1 HHAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586959988 UNKHUGSTBYLDSA-OAHLLOKOSA-N 417.434 3.644 0 1 HHAF COC(=O)c1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1OC 587127378 RTZZRSCHFGZNTB-UHFFFAOYSA-N 406.320 3.800 0 1 HHAF CN(C)/C=C\[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343387 SEUUUKDLVCWJGY-UFDYQKKYSA-N 407.445 3.595 0 1 HHAF COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587345824 GWRKDLVMQQDEPH-AUSIDOKSSA-N 405.381 3.746 0 1 HHAF O=C1CC(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587352056 LPLWDFRVBBHFCU-UPVQGACJSA-N 402.377 3.941 0 1 HHAF CCn1cc(Cl)c([C@]2(CC(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587502147 TZQPAMIZDUAFAR-OAQYLSRUSA-N 402.878 3.859 0 1 HHAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587590656 CVWDGHLZEOMHAY-KNQAVFIVSA-N 406.390 3.890 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(F)ccc2F)N1 587722254 XPSKXKAUZSHXEL-QPFGOUBPSA-N 400.194 3.729 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCc2nnc(C)n2C1 587866791 PSJTWLHOCWKKSX-AWEZNQCLSA-N 419.407 3.770 0 1 HHAF COc1ccc([C@]2(c3ccc(F)cc3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962921837 FDTDDASKBAKDNJ-VWLOTQADSA-N 404.485 3.974 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C[C@H]1CCCOC1)N(C(=O)c1ccccc1N)CC2 963134774 CUAIYLVYRFWUCB-IIBYNOLFSA-N 410.514 3.842 0 1 HHAF O=C(O)c1ccc2c(c1)[C@]1(N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)c1ccccc1-2 963228267 OHIUDVYTQROKFJ-ZEQKJWHPSA-N 422.440 3.804 0 1 HHAF CON/C=C\[C@@]1(c2ccc(OC)cc2)c2cccc(Br)c2CCN1C 963271258 TWQXZEKDUUSXKJ-GHYICZDASA-N 403.320 3.854 0 1 HHAF O=C(C[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)Cc1ccccc1)c1ccccc1 2356505129 SLMMZNONABTNIB-BJKOFHAPSA-N 401.506 3.838 0 1 HHAF CCCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)c(C)n1 11879871 MSNXWHLYGVHSMH-UHFFFAOYSA-N 406.534 3.887 0 3 HHAF Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12 3649662 FGTKIEXYOVUYRF-UHFFFAOYSA-N 416.275 3.988 0 1 HHAF CC(C)(C)OC(=O)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21 3834096 FFTAUNHOICDGAW-UHFFFAOYSA-N 421.284 3.689 0 1 HHAF CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1cccc(Br)c1 3986703 PXFKQPIDCKZUID-UHFFFAOYSA-N 405.200 3.810 0 1 HHAF in-vivo O=C(O)c1cccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1 13580638 HZZKUAIZLVQIHW-UHFFFAOYSA-N 421.361 3.826 0 1 HHAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3cccc(C(F)(F)F)c3)ccnc21 27704887 KHGGWSPNLCRCHY-UHFFFAOYSA-N 411.383 3.829 0 1 HHAF Cc1ccccc1O[C@H](c1ccc(I)s1)[C@H]1CNCCO1 28881325 JUSXNKNTQUSUJZ-CJNGLKHVSA-N 415.296 3.770 0 1 HHAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NC1CCOCC1 29046881 FPSWARSOCCSFPD-UHFFFAOYSA-N 403.482 3.839 0 1 HHAF O=C(NCCc1ccc(F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O 40876995 SHVOOPWAUHCAOR-UHFFFAOYSA-N 401.441 3.556 0 1 HHAF Nc1cccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)c1 40896647 KURSQFHHJPXYNG-UHFFFAOYSA-N 421.464 3.771 0 1 HHAF COc1ccc(-n2nc(C)n(CCSc3ccc(Br)cc3)c2=O)cc1 58575974 BYHFNUFCJBQKJS-UHFFFAOYSA-N 420.332 3.906 0 1 HHAF O=C1NC(=O)[C@@](Cc2ccccc2)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)O1 71405031 ZSCARLZDNOPZLK-RUZDIDTESA-N 410.429 3.900 0 1 HHAF COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccc(C)cc3)ncnc21 82179098 WPJHHXAEXSOVGV-UHFFFAOYSA-N 419.485 3.774 0 1 HHAF COc1cc(CN(C(C)C)S(=O)(=O)c2ccccn2)cc2c1OC(C)(C)C=C2 95556134 LREPTZOCUMWFMS-UHFFFAOYSA-N 402.516 3.874 0 1 HHAF COC/C(=C\C(C)(C)O)C/C(C)=C/COc1c(OC)cc(/C=C/CO)cc1OC 95913823 RRCRIMSLECPXLR-OPHYHSOVSA-N 406.519 3.768 0 1 HHAF biogenic,in-vitro Nc1ccc(-c2ccccc2Cl)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1 103236852 JCWUIMPQKHQJKS-AWEZNQCLSA-N 422.920 3.559 0 1 HHAF CCCO/C(O)=C1/C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCC 103634034 UEVAKHKWQYCJCQ-VZHUHSAUSA-N 422.283 3.726 0 1 HHAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ncccc3[C@]12c1ccc(Cl)cc1 115092215 IAIGFORPYOIBOB-JOCHJYFZSA-N 407.832 3.687 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2CC[C@H]3C[C@@]3(c3ccccc3)C2)n1C 142653324 ACFIBJLBHXWBFG-AVRDEDQJSA-N 409.559 3.924 0 1 HHAF CC(C)(O)Cn1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144925108 IXXDAOWLXRTQQG-NRFANRHFSA-N 418.415 3.592 0 1 HHAF Nc1cc(Br)cn2cc(Cc3ccc(F)cc3C(F)(F)F)c(=O)nc12 169326953 PNFBLIXYFARMMQ-UHFFFAOYSA-N 416.172 3.788 0 1 HHAF COc1cc(OC)cc(N(C[C@@H](C)N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204166330 AHWOGVXLWKIELS-OAHLLOKOSA-N 418.501 3.533 0 1 HHAF Oc1nc(O)c2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1 586998279 HECTWBWLGDPFQJ-UHFFFAOYSA-N 413.231 3.773 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)nc3[nH]2)C(F)(F)C1 587131978 GZSLPSNZFUCUOI-MRVPVSSYSA-N 403.227 3.690 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 587180722 KEPGETAONVASBA-ZETCQYMHSA-N 422.230 3.584 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(C3)NC(=O)NC2=O)c1 587363268 QRLIPUAXVCVAFP-DEOSSOPVSA-N 413.433 3.724 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@@H]1N=O 587487068 CWSVFDPCHYDPLI-AVRDEDQJSA-N 407.426 3.799 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@@H](O)[C@@H](C1)N2Cc1ccccc1 587489604 UVPQXLZXEHBHFE-KJFBJOSPSA-N 407.510 3.847 0 1 HHAF CC(C)(C)OC(=O)N1CC(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587583202 QWYWCDTXEZYIFK-RTBURBONSA-N 411.454 3.979 0 1 HHAF COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591686 DHPPEMXUKSDKPD-OFNKIYASSA-N 406.390 3.647 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3cccnc3)c(=O)c3ccccc23)c(O)c1 587665104 LWTNYLPGALTRSE-UHFFFAOYSA-N 414.465 3.699 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2nc(Cl)cnc2Cl)N1 962707871 YTMMGDDLBQRCFW-GXSJLCMTSA-N 410.154 3.630 0 1 HHAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](OCc1ccc(C(C)C)cc1)CC(=O)N2 1857628478 KEWPZLQQPUGOCD-INIZCTEOSA-N 417.473 3.571 0 1 HHAF Cc1c(Cl)ccc2c1C(=O)N[C@H](Cc1c[nH]c3cc(Cl)cc(O)c13)C(=O)O2 2356559985 QNKACDOEAZKFNQ-CYBMUJFWSA-N 405.237 3.749 0 1 HHAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@H]2CN[C@@H]1CCCC12CCCC2 2356690587 DFIDXMCGQSQTCP-YZPZRXTISA-N 406.570 3.862 0 1 HHAF CCOCCCNC(=O)/C=C1\Sc2ccccc2N(Cc2ccccc2F)C1=O 4931668 NDKCRPCGEVOSIM-ZHZULCJRSA-N 414.502 3.891 0 3 HHAF COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 36388502 TYDKKJJXGDGDJH-WMLDXEAASA-N 424.419 3.964 0 3 HHAF CC1(C)OC[C@@H](CO[C@@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)O1 3599106 ZQDXWYQEGBMDCN-QRWLVFNGSA-N 400.862 3.624 0 1 HHAF CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 5070411 JREWSJUQFXYCBW-RXVVDRJESA-N 409.530 3.570 0 1 HHAF COc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1OC(F)(F)C(F)F 13448839 ZXKYXYXCRLJFRS-AREMUKBSSA-N 409.386 3.573 0 1 HHAF CCc1cccc(N(CC)C(=O)C2=CCC[C@H]2C(=O)NCc2ccc(C(=N)N)cc2)c1 13493929 LFWSICFYUTVJQG-OAQYLSRUSA-N 418.541 3.539 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@@H](C)C2 15270671 IHVGPKYZFAVXGZ-CSJMPQKXSA-N 402.443 3.675 0 1 HHAF biogenic COC(=O)C[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC)c(C(=O)OC)cc3C=C[C@H]21 27524422 RNALBLWLIJHISG-CDNPAEQRSA-N 400.471 3.914 0 1 HHAF Nc1ccc(-c2nc3c(N4C[C@@H]5[C@H](CCN5Cc5ccccc5)C4)ncnc3o2)cc1 28116439 KQDJDEWGSPCWAC-UYAOXDASSA-N 412.497 3.578 0 1 HHAF O=c1ccn(CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 35901540 FTIHICXYBIDIFY-UHFFFAOYSA-N 412.489 3.935 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F 82196614 ICAQLNUIBNJXDJ-WLZREVJRSA-N 424.516 3.637 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3)c1 95878064 RMCUWMYAWGUVMU-IEXUWNMDSA-N 415.493 3.747 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(=O)C2 100043814 XEGCBPWQNYJXLN-FDDCHVKYSA-N 401.572 3.692 0 1 HHAF Cc1[nH][n+](C)c(C)c1C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 101479109 HJGCZDDEOVCWRD-UHFFFAOYSA-O 412.539 3.837 0 1 HHAF C[C@@H](Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(N)=O)c2)c1 141444058 YMLBNGULJZAHOS-AWEZNQCLSA-N 405.473 3.900 0 1 HHAF C[C@H](O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147504976 KZIVXMMFXJRVHL-ZDUSSCGKSA-N 405.903 3.658 0 1 HHAF CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cn2)c1 169311642 GVIFXCYNVQURAV-UHFFFAOYSA-N 417.874 3.518 0 1 HHAF Cc1cc(-c2nc3ncnc(N)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061175 KXSMHNXHILQSNR-UHFFFAOYSA-N 404.865 3.665 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587201705 BKYQMEAVSGWSIG-VIFPVBQESA-N 411.311 3.562 0 1 HHAF COC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1OC 587205873 UTGHSNOZFDOWDW-AWEZNQCLSA-N 405.495 3.840 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587223654 DCUNHNBXOZIASN-KRWDZBQOSA-N 422.551 3.569 0 1 HHAF C[C@@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567774 CCIIPSRRRNUJFI-URXFXBBRSA-N 421.424 3.958 0 1 HHAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588373 KDZYVCDKXKCNRL-WMZHIEFXSA-N 405.406 3.920 0 1 HHAF CCOC(=O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594749 IMXTUQQSRQNZIQ-SIKLNZKXSA-N 406.390 3.977 0 1 HHAF C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O 587595896 POOAPSGAQQVRAS-NCNFXNTHSA-N 406.390 3.947 0 1 HHAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599497 XPJXVKRGBLJRBL-NXQMDHLFSA-N 416.429 3.985 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 587736590 SLFFDGYYMZALRL-YPMLDQLKSA-N 405.246 3.932 0 1 HHAF CC[C@H]1CN=C(Nc2ccc([C@@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2)S1 962901892 SRHKMAYHMWFWAC-LQBOVUBWSA-N 413.518 3.981 0 1 HHAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc4c(Br)ccc(O)c4n3)c3cccc1c32 963027439 NYRYOMRNYQDMMR-PRWKNARSSA-N 424.298 3.846 0 1 HHAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@H]5c4ccc(F)c(F)c4)(C2)C3)cn1 1857582618 HZFPQLYGOZJEDT-XDGVHFHYSA-N 410.472 3.543 0 1 HHAF COc1ccc(-c2cc(Cn3cc(-c4ccc(N(C)C)cc4)nn3)on2)cc1OC 1857767152 HIMRRKOTAGQGGH-UHFFFAOYSA-N 405.458 3.732 0 1 HHAF CCOC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)c1 4130229 PNJBNRZHFFIMFM-UHFFFAOYSA-N 402.520 3.770 0 3 HHAF CCOC(=O)c1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1 4920076 LJOUAWIJKBLXHL-UHFFFAOYSA-N 415.449 3.667 0 1 HHAF Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCCO 14974513 NZRHMZHVOSRESC-UHFFFAOYSA-N 406.924 3.595 0 1 HHAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCN1CCN(c2ccccc2)CC1 26724959 ABHUMJXSVVFEPJ-UHFFFAOYSA-N 422.476 3.903 0 1 HHAF COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 27985544 FUZBDAGWGHASHR-KRWDZBQOSA-N 415.921 3.559 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C(=O)[C@@H]3O 33820787 FBUKMTQUBMAGGF-NGBYLGCCSA-N 406.563 3.657 0 1 HHAF COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc(OC)c1OC 73161054 JCRFQEZSCGYUNF-QGZVFWFLSA-N 424.478 3.999 0 1 HHAF CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)C[C@@H]3N4)cc2)cc1 100105122 ZZOMFZZBCVWQTF-BKFWDETESA-N 417.553 3.512 0 1 HHAF COc1ccc(-c2ccc(C3(Cc4nnn[nH]4)C4CC5CC3CC(C4)C5O)cc2)cc1 103231579 PUVKAMKYLCUHTH-UHFFFAOYSA-N 416.525 3.783 0 1 HHAF Cc1nc(N2CCN(CC3CCCCC3)C2=O)sc1C(=O)NCc1cccnc1 103236135 FNFMYRSHPYAHHV-UHFFFAOYSA-N 413.547 3.599 0 1 HHAF CCOc1cc([C@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)ccc1OCc1ccccc1 103541584 CZVFYDAQVRDZNW-NHFXJNLRSA-N 421.457 3.762 0 1 HHAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cc(C)ccc21 117688052 CEVWSVXHCJJEKH-UHFFFAOYSA-N 401.470 3.705 0 1 HHAF CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 147605231 LYEJXPMWXNERKG-UHFFFAOYSA-N 415.478 3.547 0 1 HHAF Cc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)c1 168286199 CMIQOJPJIXEMAM-UHFFFAOYSA-N 415.537 3.829 0 1 HHAF CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C 169316176 HKMYJCGBZHDCCU-ZGIWMXSJSA-N 420.619 3.789 0 1 HHAF N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2C2CC2)C1 205260197 DYZILEJNHNIIPT-KRWDZBQOSA-N 411.513 3.887 0 1 HHAF O=C1c2ccccc2-c2cc(Cn3cnc4ccccc4c3=O)nc3ccc(O)c1c23 586988128 LFRBNCUIDOGWFX-UHFFFAOYSA-N 405.413 3.910 0 1 HHAF CCOC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586990082 UWPSYUQSWPDWTM-JEOXALJRSA-N 401.418 3.560 0 1 HHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1cccc(Cl)c1 587071212 KQSQQJTWDDGBSE-NSHDSACASA-N 421.910 3.809 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(I)c(F)c1)[C@@H](C2)C3=O 587429632 WCASTAKIGGLIQO-APPDUMDISA-N 410.182 3.928 0 1 HHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCN1C(=O)c2ccccc2C1=O 587622727 FQOILIPSLQEQNK-UHFFFAOYSA-N 423.270 3.954 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587773400 YRFJSYVNFPIPCD-GIPWTMENSA-N 417.278 3.784 0 1 HHAF NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783473 BNVSLEAJMYRKFZ-JYRVWZFOSA-N 405.479 3.960 0 1 HHAF COc1ccc2c(c1)C[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)CC2 587945009 DEWSBTHPYGWJFJ-MRXNPFEDSA-N 401.470 3.903 0 1 HHAF C[C@@H]1CCc2cc(C(=O)N(C)CC(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O 653630341 GRGOYLVPZGFXOI-GFCCVEGCSA-N 422.403 3.714 0 1 HHAF Nc1ccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nn1 653765597 JUQVLQSCAGIPMS-UHFFFAOYSA-N 412.449 3.984 0 1 HHAF CC(=O)N(C)c1cccc([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697911 BZCMIUGOPFVMJF-ICSRJNTNSA-N 424.394 3.690 0 1 HHAF Cc1ccnc2c1CCN[C@@]2(COc1ccccc1C(N)=O)c1ccc(Cl)cc1 963075582 SRMBOAORUKXTTB-QHCPKHFHSA-N 407.901 3.611 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@](C)([C@H]2NCCc3c(C(=O)O)cccc32)C(F)(F)C1 963121862 LZGWGRGJAJDMDF-JXFKEZNVSA-N 410.461 3.854 0 1 HHAF N[C@H]1CC[C@@H](CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)CC1 1772607553 UDLDRWWTJMCAEM-PHIMTYICSA-N 418.947 3.666 0 1 HHAF Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12 1857561482 RZNRDMSSIKQWGN-UHFFFAOYSA-N 409.467 3.767 0 1 HHAF Cc1c(Cl)ccc2c1C(=O)N[C@@H](Cc1c[nH]c3cc(Cl)cc(O)c13)C(=O)O2 2356559986 QNKACDOEAZKFNQ-ZDUSSCGKSA-N 405.237 3.749 0 1 HHAF CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 581861 KTNPWLGBAAFMNK-UHFFFAOYSA-N 422.907 3.674 0 1 HHAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CC(C)(C)O2 756285 YKDIVEPKOQWENU-IRLDBZIGSA-N 424.541 3.838 0 1 HHAF COc1cc2c(c(O)c1OC)[C@H](O)[C@@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 5922989 OIHLTMSXVOAYSE-MTNREXPMSA-N 405.450 3.690 0 1 HHAF N=C(NC1CC1)c1ccc(N2CCCN(c3ccc(C(=N)NC4CC4)cc3)CC2)cc1 25993403 UHYHEMDZZSTUQM-UHFFFAOYSA-N 416.573 3.558 0 1 HHAF CN(C(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1 26644176 VIUNGTJYEOBFIE-UHFFFAOYSA-N 406.869 3.964 0 1 HHAF Cc1cccc2c1OC[C@@H](CN1CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC1)O2 27883553 PLCBASFSZBCGKM-QGZVFWFLSA-N 413.905 3.768 0 1 HHAF COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CCN1CCN(c2ccccn2)CC1 27886687 HPGNHOHIXAXEKQ-FQEVSTJZSA-N 411.546 3.660 0 1 HHAF CC1(C)c2cc(OCCOCCOCCO)ccc2C(=O)c2c1oc1ccccc21 114802465 KWEJTJDGGYCNJJ-UHFFFAOYSA-N 410.466 3.707 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@@H]3CC(=O)NC3=O)cc1)O2 142839739 ZFMLMSWJWJBTEO-IQGLISFBSA-N 423.509 3.685 0 1 HHAF CC(=O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 143279585 DIFUYTHJMYOHQX-HXUWFJFHSA-N 402.372 3.524 0 1 HHAF Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 169355100 LBEMSNVHEADUTJ-HSALFYBXSA-N 408.527 3.715 0 1 HHAF O=C(CCSc1nc(O)c2ccccc2n1)N[C@H]1CC[C@H](Oc2ccncc2)CC1 299847470 QUTSLYJVINTIIL-WKILWMFISA-N 424.526 3.719 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(=O)O 587597763 WCKBOFMTONFUFC-OFNKIYASSA-N 422.389 3.567 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 587765001 HZIYOCQXHXFVKP-MPBGBICISA-N 418.310 3.916 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccco3)CC2)N1 587765427 CCUMCSVCHYGYHQ-GFCCVEGCSA-N 407.283 3.847 0 1 HHAF COc1ccc([C@@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c(OC)c1 618007253 DTMCSLNPRCZGOU-GOBJLOIFSA-N 406.442 3.977 0 1 HHAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)c1OC 962640706 XBEAZOLBQYJWOF-GUYCJALGSA-N 411.376 3.599 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(Cc3cnc[nH]3)c2)N1 962691842 DISIAXKUGJKBGV-RBUKOAKNSA-N 419.378 3.847 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(C1(O)CCCCC1)N(C(=O)c1ccccc1N)CC2 963139893 IUGCWEAQZNCBDF-XMMPIXPASA-N 424.541 3.895 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1cccnc1C)N(C(=O)c1ccccc1N)CC2 963148200 YTQWXTNZWYHJBS-HSZRJFAPSA-N 403.482 3.777 0 1 HHAF Cc1cc(C)c(Oc2nc(=N)nc(Nc3ccc(CN4CCOCC4)cc3)[nH]2)c(C)c1 1857534622 MKJZPAWAFOTFQE-UHFFFAOYSA-N 420.517 3.578 0 1 HHAF O=c1c(OCc2nn[nH]n2)c(-c2ccc(F)cc2)oc2c(Cl)cc(Cl)cc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c2[nH]c3ccccc3c21 2356806364 AGFNFYSXFSTALX-OXFYSEKESA-N 422.481 3.542 0 1 HHAF COc1ccccc1CNC(=O)[C@@]1(C)CCN1Cc1ccc(OC(F)(F)F)cc1 61895475 GNNOYFZLUXSIEF-HXUWFJFHSA-N 408.420 3.875 0 3 HHAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 767466 CXKICOFMHQAMQI-IEBWSBKVSA-N 404.869 3.706 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCOC)c1 4055629 GXKLACVFJUANKI-CTNGQTDRSA-N 416.905 3.983 0 1 HHAF O=C(c1cccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 13738819 ZXARNOMYATZGQP-ROUUACIJSA-N 412.511 3.723 0 1 HHAF Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCCCC1 14598299 BCVVZQTVNPNDRX-AZUAARDMSA-N 404.576 3.964 0 1 HHAF CCOC(=O)Cc1ccc(NC(=O)Nc2ncc(-c3ccc(OC)cc3)n2C)cc1 15786047 FWKVWUVZURGUIS-UHFFFAOYSA-N 408.458 3.845 0 1 HHAF CO[C@H]1CC[C@H](OC)[C@H](C2([C@H]3C[C@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 17176462 GRLWJBJNHZKQHW-DEINUQGVSA-N 418.530 3.713 0 1 HHAF CCOC(=O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCCCC1 20462864 IOMQQFWDBUFLMA-VXKWHMMOSA-N 400.563 3.523 0 1 HHAF biogenic COCC(=O)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1 27736177 UOVMGWXSUKXNEM-UHFFFAOYSA-N 409.555 3.983 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccccc1NC(C)=O 27866970 JADDNTDGCILSSQ-NRFANRHFSA-N 409.486 3.908 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(NC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410522 ATNLARLOBDNYEU-FRTLKMCASA-N 403.611 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CN1[C@H]2CC[C@H]1[C@H](C(=O)OC/C=C/I)[C@@H](c1ccccc1)C2 253782718 PTARSFHGDDMYOJ-CHZQGTAESA-N 411.283 3.745 0 1 HHAF CO[C@H]1CC[C@@H](OC)[C@H]([C@]2([C@@H]3C[C@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 254113542 GRLWJBJNHZKQHW-VQAMFGOZSA-N 418.530 3.713 0 1 HHAF O=S(=O)(NCCCCN1CC[C@H]2CCCC[C@H]2C1)c1cnc2ccccc2c1 254121013 WXBBAKXKWONHGS-QUCCMNQESA-N 401.576 3.805 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 299887008 YEBWVORVAAIZRK-OSDUHNMZSA-N 404.595 3.926 0 1 HHAF COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2n1 586949798 APMOJINNGNUHPG-UHFFFAOYSA-N 422.466 3.521 0 1 HHAF CCS(=O)(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587077297 VATQJZLSARTWLH-UHFFFAOYSA-N 416.890 3.845 0 1 HHAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587183887 KRNOGKQVCJTBTR-SNVBAGLBSA-N 417.172 3.827 0 1 HHAF CCOC(=O)[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333980 DISXTDCYXBHSHX-REWPJTCUSA-N 407.397 3.744 0 1 HHAF C[C@@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353242 MPBZYEMJRGHNOV-SSPYTLHUSA-N 422.408 3.924 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3[nH]nc(I)c3c1)O2 587387237 OUNGPHRUAIEIKD-OAHLLOKOSA-N 419.222 3.765 0 1 HHAF O=C(NC1CC1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587581948 XXRVUORAIGJWSE-OFNKIYASSA-N 401.418 3.987 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccccc3c2=O)N1 587747114 PDCLCGCLDJXQTB-XYZCENFISA-N 403.251 3.900 0 1 HHAF CCOC(=O)C[C@@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716904 TXOHRKZEOVCQIR-VGOFRKELSA-N 407.551 3.764 0 1 HHAF COc1cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1-n1cnc(C)c1 962728197 CQXQNEUDMDERPW-YLJYHZDGSA-N 415.415 3.924 0 1 HHAF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)[C@H](C)[C@H](C)CN(Cc2ccccc2)[C@@H]1C 963469874 LDFDCABRQWUMNP-OAEVYOIXSA-N 408.542 3.671 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1 1772576570 GQRQYGYKBHIQTP-UHFFFAOYSA-N 416.510 3.884 0 1 HHAF CCCC(=O)N(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 1772614142 GHUYGQFIYHFZEW-UHFFFAOYSA-N 401.503 3.873 0 1 HHAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)nc1 1857605349 VWLSNKZQQPOGDG-UHFFFAOYSA-N 401.470 3.756 0 1 HHAF Cc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)cc(OC(F)F)n1 1857753636 IHRLLUNZRZZWBF-UHFFFAOYSA-N 412.440 3.775 0 1 HHAF CC(C)=C[C@@H]1O[C@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H](C)[C@@]12O 2356401851 QRUZTMJNZQJLOO-DRYAJKAQSA-N 416.558 3.990 0 1 HHAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]13)[C@@H]2CC(C)=O 2356468432 BNWCAXPQWZXTPP-QZNQTZDWSA-N 424.541 3.612 0 1 HHAF COc1cccc(CCc2nnc(CCC(=O)N3CCC[C@@H]3c3nccs3)o2)c1 13593126 CDBJRBFIVNEHPI-QGZVFWFLSA-N 412.515 3.616 0 3 HHAF OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1C1CCCC1 22932803 RCVHOYOBAMZYKH-OAQYLSRUSA-N 400.954 3.608 0 3 HHAF O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 104012765 BTWNIZXDKWTDNT-FUHWJXTLSA-N 416.403 3.885 0 3 HHAF 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NC(=O)N1CCc2sccc2[C@@]1(c1ccc(F)cc1)c1ccc(CC(=O)O)s1 962693668 ARLPERUQOUMOJH-FQEVSTJZSA-N 416.499 3.805 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccccc2CN2CC=CC2)(C2CCC2)N1 962916468 FCUJMWRVRVLHEE-UKILVPOCSA-N 406.501 3.840 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](c2ccccn2)(C2CC2)N1 962923556 FGXIZNZFWZHXIL-URXFXBBRSA-N 402.450 3.832 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccc(F)cc2)NCCc2c(OC)ccc(Cl)c21 963257565 KSOQJJCAVMHJPT-OAQYLSRUSA-N 405.853 3.665 0 1 HHAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)c2cccc(Br)c2CCN1C 963271464 UGGYTZOHZOGWJZ-FQEVSTJZSA-N 401.304 3.922 0 1 HHAF Cc1cc2c(cc1Cc1ccc(-c3cscn3)cc1)C(=O)N([C@H]1CCOC[C@@H]1O)C2 1772619237 IWRSRWXIWOCHSJ-GOTSBHOMSA-N 420.534 3.815 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3cccs3)c(OCc3ccncc3)ccc12 1772644305 IXAUWBOSMKYIHI-UHFFFAOYSA-N 421.478 3.727 0 1 HHAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356301225 ZHNZUQCFLMGORI-ZCNNSNEGSA-N 416.610 3.962 0 1 HHAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356718178 NCQLOJDAPOEYJA-BFLREZKSSA-N 404.547 3.865 0 1 HHAF C[C@H](CCCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356870246 XOUBHVKCXRSUEN-POLYPNRQSA-N 422.606 3.839 0 1 HHAF C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(Br)cc1 12472352 AFZQCXNJLCCUGQ-SSDOTTSWSA-N 411.532 3.731 0 3 HHAF O=C(COCc1ccccc1)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 199407862 UYZDPEXULVDUBB-OFNKIYASSA-N 414.496 3.995 0 3 HHAF CCc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1Br 600336 LHFACMLRLIZFFO-UHFFFAOYSA-N 424.114 3.871 0 1 HHAF investigational O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 13560124 AXWMVVQSGDHICA-UHFFFAOYSA-N 424.372 3.825 0 1 HHAF CCC[P@](=O)(O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13861237 LBXHFQFUNRPMBT-APWZRJJASA-N 422.462 3.623 0 1 HHAF O=C1NC[C@H](c2c[nH]c3cc(Br)ccc23)N[C@H]1c1c[nH]c2ccccc12 15266941 BAHAHDZOJKHNMC-MOPGFXCFSA-N 409.287 3.914 0 1 HHAF biogenic Cc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2ccc(F)cc12 28951854 NLOFQYGYPLOWDN-ZUOKHONESA-N 401.392 3.503 0 1 HHAF COc1ccc([C@@]2(c3ccc(C)c(-c4cccnc4)c3)NC(=N)N(C)C2=O)cc1C 34629567 AIBQLQGSZCUSCL-DEOSSOPVSA-N 400.482 3.614 0 1 HHAF CCn1cc(-c2nc3ccccc3[nH]2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 43072359 AVJCNMOUJRQWPN-CYBMUJFWSA-N 423.467 3.641 0 1 HHAF Cc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)s1 71341602 ZMDMUAHMHFTCRO-QGZVFWFLSA-N 412.964 3.570 0 1 HHAF COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175313 OOGGORAJSDBXIE-IFXJQAMLSA-N 421.522 3.850 0 1 HHAF COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C(F)(F)F)nn12 96933415 CKVIZDXHRLMKMW-UHFFFAOYSA-N 421.162 3.554 0 1 HHAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1 103252842 UAEQPLLFQAIGHI-UHFFFAOYSA-N 422.432 3.989 0 1 HHAF Cc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)n1 169709311 RPKDJQRQBUQACM-QFBILLFUSA-N 408.527 3.995 0 1 HHAF OC1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 215837590 BPZOKXWKXHSEOJ-UHFFFAOYSA-N 401.470 3.769 0 1 HHAF O=C(/C=C/c1cnc[nH]1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 217412368 MVNPXQYNIQEDQG-OWOJBTEDSA-N 423.300 3.647 0 1 HHAF NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@@H](CCC(F)(F)F)C21CCC1 220716855 DSTJFWHEXWTHCF-FXAWDEMLSA-N 418.419 3.958 0 1 HHAF NC1=N[C@@]2(CO1)c1cc(-c3cnc4ccccc4c3)ccc1OC1(CCC1)C21COC1 220721669 NXLOZNMRWJNNJD-VWLOTQADSA-N 413.477 3.774 0 1 HHAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(Cl)c(F)c3)n2)n[nH]1 261098278 FTOOXSGHTDGYCE-UHFFFAOYSA-N 417.876 3.588 0 1 HHAF FC(F)(F)c1ccn(CCc2nc3cccc(I)c3[nH]2)n1 587117827 HEBHDZXXMJYKAD-UHFFFAOYSA-N 406.149 3.626 0 1 HHAF COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C 587341489 JPUOPWZZIFCAPA-NZQKXSOJSA-N 409.413 3.931 0 1 HHAF COC(C)(OC)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341772 YLYVQXLCIRIZMW-FJYVLNHRSA-N 415.461 3.713 0 1 HHAF CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587383484 XLINPFWLDVUVRY-NRFANRHFSA-N 415.392 3.913 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCN(C)CC3)cc1)CC2=O 587477231 WSZCWVGLNYXRLW-DEOSSOPVSA-N 424.541 3.677 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cc(Br)cn2)N1 587684292 PFFKOBKFXMMTLN-VFZGTOFNSA-N 417.120 3.997 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 587723990 DAGBYECLPDGRQD-RBHXEPJQSA-N 400.194 3.729 0 1 HHAF CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@@H]4OCCN3CC[C@@H](F)C3)c12 653666695 MUHIWTRMLIAJQY-CBZIJGRNSA-N 404.555 3.842 0 1 HHAF Cc1c(CC(=O)O)c2ccncn2c1Cc1ccccc1S(=O)(=O)c1ccccc1 653737516 RVDOECSZSQKQJA-UHFFFAOYSA-N 420.490 3.693 0 1 HHAF COC(=O)C1CCN(c2nc(Cl)c([C@@H]3NCCc4cc(C)c(F)cc43)s2)CC1 962147453 PHFVYLUQMAQJFY-MRXNPFEDSA-N 423.941 3.869 0 1 HHAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731782 ULTACXLAHKSTFB-WIYYLYMNSA-N 405.416 3.756 0 1 HHAF CCNc1cc(-c2ccc3cnn(Cc4cc(OC)cc(OC)c4)c3c2)cn(C)c1=O 1857560630 BFPSFLAGGPJMND-UHFFFAOYSA-N 418.497 3.899 0 1 HHAF COCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857631621 JRHVVSKZHKPPLT-INIZCTEOSA-N 421.881 3.934 0 1 HHAF N[C@H]1CCC[C@H](C(=O)Nc2ccc3[nH]nc(N=c4cc[nH]c5ccccc45)c3c2)C1 1857635093 WMTMGJGKUYYPKR-GJZGRUSLSA-N 400.486 3.733 0 1 HHAF CC(=O)NCCN(C)c1cccc(OCCCCCCOc2cccc(O)c2)c1 1857641900 PFIPXQGROSPOOK-UHFFFAOYSA-N 400.519 3.983 0 1 HHAF CC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc(CO)oc13)C[C@H](C(C)(C)O)O2 2356304513 MPAJZGJSQLODOM-QGZVFWFLSA-N 402.487 3.805 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@H]2C(=O)OC[C@H]21 2356800109 PRNANAGAWMAJKJ-FGPHFXNYSA-N 420.546 3.903 0 1 HHAF O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2C2CCCCC2)C2CC2)CC1 72102792 MIOMQAUWMCSWLG-NRFANRHFSA-N 421.549 3.610 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 4050822 NFHJAHDDZGCTCX-RZNKLVQRSA-N 410.514 3.700 0 1 HHAF O=C(c1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)nc1)N1CCOCC1 13589395 RRLCACGGDHPKNQ-UHFFFAOYSA-N 405.498 3.606 0 1 HHAF COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)O[C@@H]3OC 14435110 XURLTFUKDPZAPN-QFIPXVFZSA-N 410.378 3.774 0 1 HHAF biogenic,in-vitro COc1ccccc1CCN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@H]1CCNC1 28823668 DRSCCLOMGTZTCW-DEOSSOPVSA-N 421.585 3.728 0 1 HHAF O=C1c2ccccc2CC[C@H]1CNCCc1ccc(O)c(I)c1 31977080 DUOOAUBZMQZYLO-HNNXBMFYSA-N 421.278 3.574 0 1 HHAF in-vitro CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 40423691 QRXMVMCRSAGBBI-HNAYVOBHSA-N 415.921 3.851 0 1 HHAF Cc1ccc(N([C@@H](CO)COc2ccccc2)[C@H](CO)COc2ccccc2)cc1 64528486 JDAWFUWXGHWXSU-ZRZAMGCNSA-N 407.510 3.681 0 1 HHAF COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12 73158438 WGISNQGRTXXQPY-UHFFFAOYSA-N 401.470 3.985 0 1 HHAF O=C1NC(=O)/C(=C/c2ccc(OCCSc3nc(-c4ccccc4)n[nH]3)cc2)S1 84670855 CVNMUYFEIFOQPC-VBKFSLOCSA-N 424.507 3.967 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95878379 QANHKTDAUKUZTL-TZYHBYERSA-N 403.457 3.878 0 1 HHAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5nccs5)[nH]c4C)ccc3[nH]2)n1 115832968 WVBUMAZAVZFRDK-UHFFFAOYSA-N 419.470 3.611 0 1 HHAF Cc1c(C(=O)NCc2cnco2)sc2ncnc(Nc3cccnc3OC(C)C)c12 118819386 HMTFBKBFDNGKCV-UHFFFAOYSA-N 424.486 3.844 0 1 HHAF C#Cc1cccc(Nc2ncnc3cc(O)c(OCCCCCCC(=O)NO)cc23)c1 142895298 XHTXZNRHMUNECO-UHFFFAOYSA-N 420.469 3.895 0 1 HHAF COc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(N3CCOCC3)c2c1 144266826 IXHBNOCHZROGAE-UHFFFAOYSA-N 418.902 3.566 0 1 HHAF O=S(=O)(c1ccc2c(c1)CCOC2)c1cc(Cl)c2oc3c(c2c1)CNCC3 147540244 LQQLWZHGVHLHGM-UHFFFAOYSA-N 403.887 3.637 0 1 HHAF CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@H]4CCCNC4)C3=O)ccc12 165064201 IEUPVAAEHASTLE-KRWDZBQOSA-N 421.570 3.989 0 1 HHAF O=C(C[C@@H]1CNC(=O)c2cc(-c3ccc(F)c(F)c3)cn21)NCC1CCCCC1 169332461 SGXRBZAUSKURHK-QGZVFWFLSA-N 401.457 3.804 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc2ncccc2c1 169351559 LAXYJGRSAWAGRI-LIMKBRLQSA-N 421.493 3.819 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)CC(F)F)n3)C2)cc1 169709369 YAHFZYPACUXAKG-HNAYVOBHSA-N 418.488 3.638 0 1 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)C1 201112893 STLVSURIVRDSTQ-LCDDVKCISA-N 424.585 3.872 0 1 HHAF Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)on1 226048156 JTXJTKWEAOZLMZ-LNLFQRSKSA-N 404.470 3.821 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 586945282 COVWJCCAKBFCKS-UHFFFAOYSA-N 405.423 3.792 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586950445 WITQEFWYOKFWNH-UHFFFAOYSA-N 419.466 3.921 0 1 HHAF Ic1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587040343 HDIFICIFGGBFJU-KBPBESRZSA-N 422.295 3.509 0 1 HHAF Nc1ncc(-c2nc3ccnc(Br)c3[nH]2)c(-c2ccccc2Cl)n1 587060820 NHMPETICCFAVNH-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF CCOC(=O)[C@@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587382889 VJQCMAQDOHZJEH-IBGZPJMESA-N 422.250 3.903 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(C(=O)O)c41)[C@@H](C2)C3=O 587450548 MNHKPAVDJHQISY-AVRWGWEMSA-N 412.397 3.629 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)ccc(F)c12 587567524 DCVQUGXMZBEJCM-KKSFZXQISA-N 411.772 3.994 0 1 HHAF COC(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570080 KCWLHCUFSHBUIM-NFBKMPQASA-N 408.381 3.952 0 1 HHAF CCn1nccc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578663 AYUAQGVNIHCATF-AUFZPXFNSA-N 405.454 3.541 0 1 HHAF O=C(c1ccn(COc2cccc(Cl)c2)n1)n1ncc2ccc(Cl)cc2c1=O 587651559 MLIPWKGRONACQP-UHFFFAOYSA-N 415.236 3.625 0 1 HHAF CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)n2ncnc2N1C 587799443 ZDZXYBHTLDXION-FKWBGFQESA-N 420.330 3.914 0 1 HHAF CCOC(=O)C[C@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834540 LFQDHEPNDGTQIA-CWTRNNRKSA-N 414.315 3.698 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1ccc(C)c(C)c1 587867395 CUWDXRAHHWBDRF-UHFFFAOYSA-N 418.375 3.868 0 1 HHAF COc1ccc2c(c1OC)[C@](CC1OCCO1)(c1ccc(Cl)nc1)N(C)[C@@H](C)C2 962564064 GNUYSHASLMPPLO-FPTDNZKUSA-N 418.921 3.635 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(Cl)cc4[nH]ncc34)N12 962635424 IYEDEZPQEDRCML-KNQAVFIVSA-N 406.873 3.953 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2cc(Br)ccc2OC1(C)C 962923034 LVQZWQFQGABLCX-NRFANRHFSA-N 415.331 3.711 0 1 HHAF O=C1c2ccccc2C(=O)N1n1cccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963119049 YWICBLIPFSYARV-HTAPYJJXSA-N 401.441 3.669 0 1 HHAF O=C(O)c1cccc2c1CCN[C@]2(C(=O)O)c1c(-c2ccccc2)cc2ccccn12 963136061 XNAZQIJPEJCAHV-VWLOTQADSA-N 412.445 3.778 0 1 HHAF CC1(c2cc(NC(=O)Cn3nnc(-c4ccccc4)n3)n(C3CCCCC3)n2)CC1 1857579980 PJNDYKHEEYJKGH-UHFFFAOYSA-N 405.506 3.732 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 2356653256 HRIGHPKJBOCXKN-DQUFFZNGSA-N 412.618 3.661 0 1 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@H]3N2C)o1 263591779 FRAXAVQCOUNARD-HSQYWUDLSA-N 400.482 3.782 0 3 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F 768456 MLOMWMKDNPPSGK-GHUBRVRDSA-N 410.489 3.594 0 1 HHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@H]2c1ccc(Br)cc1 4177728 AAROUFDRHLFPRV-QQDQCYIDSA-N 405.336 3.720 0 1 HHAF Cc1ccc(-n2nc3c(=O)n(CC(=O)Nc4ccccc4F)nc(C)c3c2C)c(C)c1 8610381 DVPGMJYNCGIMJI-UHFFFAOYSA-N 419.460 3.594 0 1 HHAF CC1(C)SCC(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 13759370 MRZUWBCILLYOGT-UHFFFAOYSA-N 404.605 3.510 0 1 HHAF CCN(CCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 28767134 QLQURERAJNHWJJ-HXUWFJFHSA-N 413.514 3.749 0 1 HHAF COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OCCN4CCCC4)cc3o2)cc1 40413194 BSINYPXRYQDKAK-UHFFFAOYSA-N 411.454 3.657 0 1 HHAF CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 40602460 UJRUQLNCVSHWFC-OTNCWRBYSA-N 406.526 3.629 0 1 HHAF CNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 40828471 LLVATEXBEPXINI-UHFFFAOYSA-N 414.247 3.629 0 1 HHAF Cc1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F 45228077 JWQXCZREUPHSFH-UHFFFAOYSA-N 402.417 3.614 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NCC)CC2 88260890 UYCOPOHPGVBBQU-GOTSBHOMSA-N 400.588 3.767 0 1 HHAF CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1CC 95591140 RZZVNLUMKUBDHT-UHFFFAOYSA-N 416.470 3.889 0 1 HHAF COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)c1 100092105 NTNYSAVQTKFKNM-NUNAXRQHSA-N 400.482 3.729 0 1 HHAF O=S(=O)(Cc1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100106344 JPICYVKWOCTGIE-UBRQYEGLSA-N 404.535 3.623 0 1 HHAF CCc1cc(C)cc(CC)c1-c1c(OC(=O)N(CC)CC)n2n(c1=O)CCOCC2 103274631 DIZHVEFCTXDWFT-UHFFFAOYSA-N 415.534 3.621 0 1 HHAF CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 117887494 IQUITEGKUMROTP-UHFFFAOYSA-N 413.485 3.589 0 1 HHAF CCOc1cc(F)ccc1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167024618 RFXGPXSRKNMNKO-DLBZAZTESA-N 413.367 3.958 0 1 HHAF CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C 194865219 VDMGYZRQGVMXIO-MDNKFWRPSA-N 418.562 3.613 0 1 HHAF CCCCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253848718 BARMHYIDIPSZOD-PSLIKIDCSA-N 423.553 3.786 0 1 HHAF 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FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Br)ccc4[nH]3)no2)n1 587117704 GFOWGORGRMUXJU-UHFFFAOYSA-N 413.157 3.639 0 1 HHAF CC1=C(c2ccc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3c2)NNC(=O)C1 587132752 GUIQRCQYYYQIJW-UHFFFAOYSA-N 419.243 3.995 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(Br)cc1OC)[C@@H](C2)C3=O 587412102 HHXVBBKTUQXETL-HXPMCKFVSA-N 405.244 3.964 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)OCC)(CC(=O)OCC)CC2=O 587484631 TUKNXWLMAZTGFK-QFIPXVFZSA-N 406.475 3.735 0 1 HHAF COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559219 ZPQGAIPJDQRBKY-UTKZUKDTSA-N 404.365 3.701 0 1 HHAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C 587625707 KMGKXBXKFLHAQR-UHFFFAOYSA-N 402.834 3.879 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3ncoc3C)c(=O)c3ccccc23)cc1OCC 587669910 RRCVHVXUNNASRB-UHFFFAOYSA-N 419.437 3.846 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ncn2C)N1 587683892 PNARSRVDYJMGSZ-JVXZTZIISA-N 403.093 3.708 0 1 HHAF COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789528 CLRFJWCGZRWHCQ-NSPYISDASA-N 408.267 3.764 0 1 HHAF COC(=O)COc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793551 NOEQKNPNCVGCCW-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)n2ncnc2N1C 587799411 ZDZXYBHTLDXION-DJHSXXLPSA-N 420.330 3.914 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 587827319 KIICHNWMKNRQGY-GIPWTMENSA-N 404.279 3.939 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCN1CCCCC1 587863239 FBZQHOOJEYKRDV-UHFFFAOYSA-N 412.481 3.786 0 1 HHAF O=C(/C(O)=C\c1ccc(I)o1)n1c(S)nc2ccccc21 653862703 DOKDKWONKFZXGR-YRNVUSSQSA-N 412.208 3.762 0 1 HHAF COC(=O)[C@]1(c2c[nH]c3cc(F)ccc23)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962563403 GFXSRGCGXUXRNC-NPMABZOXSA-N 412.461 3.617 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3ccc(OC(F)(F)F)cc32)N1 963220750 FKLQFNGBVJKWHV-PZJWPPBQSA-N 414.383 3.922 0 1 HHAF CCCn1cnc2c(N3CCOC[C@@H]3C)cc(-c3ccc(NC(=O)NCC)cc3)nc21 1772630711 MNOWCABUEYBUCD-INIZCTEOSA-N 422.533 3.875 0 1 HHAF COc1ccc(CNC(=O)[C@H](OC(=O)c2nsc(Cl)c2Cl)C(C)C)cc1 1381303 SSVKGGRDLRLAQK-CQSZACIVSA-N 417.314 3.956 0 3 HHAF CC(C)n1nnnc1[C@]1(C)CCSCC(=O)N1Cc1cccc(C(F)(F)F)c1 203465826 SJIIVAKUXSMKCC-KRWDZBQOSA-N 413.469 3.654 0 3 HHAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC(=O)C[C@@]13O[C@@H](c4ccoc4)[C@@](C)(CC[C@@H]12)C3=O 13384307 JFVLLZQSYBQDMP-CUMCXLGZSA-N 412.482 3.952 0 1 HHAF biogenic CN(C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3ccc(Cl)cc3)n2)cc1 13537972 NSBUFSWCDJEGDQ-GOSISDBHSA-N 413.909 3.919 0 1 HHAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(-c2ccccc2F)cc1 13612321 WAQPMPFFABXGHH-UHFFFAOYSA-N 415.380 3.643 0 1 HHAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccc(F)cc3)CC1)OCC2 13756582 PAHAVOZGHBZJNZ-OAQYLSRUSA-N 400.494 3.669 0 1 HHAF COC(=O)CN1C(=O)C2(CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 28528578 GSLPZHCOJZRJIT-XUVXKRRUSA-N 410.558 3.899 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(C(N)=O)c2N)cc1 28703764 KPNVJRNAVPIVGU-UHFFFAOYSA-N 415.902 3.727 0 1 HHAF O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)NCc1ccc2c(c1)OCO2 39353629 CFGLUJIAKVCUDH-JOCHJYFZSA-N 422.506 3.729 0 1 HHAF CC(C)(C)CC(=O)OC[C@]1(CO)C/C(=C/c2ccccc2C(F)(F)F)C(=O)O1 40860213 BRKJIEPIDPJLMN-YXZIBZLCSA-N 400.393 3.746 0 1 HHAF COc1cc([C@@H]2c3cc4c(cc3C[C@H]3CSC(=O)[C@@H]32)OCO4)cc(OC)c1OC 40874175 UHGIIYVWJMHCLM-SVIJTADQSA-N 414.479 3.635 0 1 HHAF Cc1nc2cc(OCc3cc(C(=O)N[C@H](C(=O)O)c4ccccc4)no3)ccc2s1 45253491 UNTZCWFSOYOHII-IBGZPJMESA-N 423.450 3.727 0 1 HHAF Cc1c(Cl)c(=O)oc2cc(OC(=O)CCNC(=O)Oc3ccccc3)ccc12 45349956 KIRBXBYKKYHMEV-UHFFFAOYSA-N 401.802 3.839 0 1 HHAF Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCN(C2CCCC2)C(=O)C1 59423353 COUFXNOSYXQFAJ-UHFFFAOYSA-N 417.893 3.619 0 1 HHAF COc1cc2nc(NCCc3ccc(O)cc3)nc(NC[C@H]3CCCO3)c2cc1OC 82119694 OXFNHKDXBYCPSO-QGZVFWFLSA-N 424.501 3.598 0 1 HHAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc(C)c2)C1 82145553 XQIGPIQCAMJEDL-OALUTQOASA-N 408.546 3.939 0 1 HHAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95893318 ZOWVXJIKOIIXAG-ZLNRFVROSA-N 422.500 3.722 0 1 HHAF O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2c2nc[nH]n2)c1)c1c(Cl)cccc1Cl 96929466 ZGGZJVWMDDQGRG-MNOVXSKESA-N 417.256 3.501 0 1 HHAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@H]2c1ccc(C(=O)OC)cc1 103530927 XZNYWLQSWTUWOT-RMENWYJGSA-N 415.471 3.735 0 1 HHAF CC1=N[C@@]2(C[C@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N 169708656 IBGZXUPONLUVLS-FXHACXQTSA-N 406.324 3.790 0 1 HHAF Cc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2c1C(=O)CC(C)(C)C2 253651931 SIEDNUHWSIZMAF-JCNLHEQBSA-N 409.530 3.755 0 1 HHAF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 473220546 LOOOARQIFZVUEX-XODWSEBVSA-N 403.903 3.762 0 1 HHAF OCC12CCC(c3nc4c(I)cnc(Cl)c4[nH]3)(CC1)CC2 586895506 KJBWNXSWQQEBDF-UHFFFAOYSA-N 417.678 3.800 0 1 HHAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068048 GJJGFCIJANTBHW-UHFFFAOYSA-N 401.879 3.524 0 1 HHAF O=S(=O)(Nc1ccsc1-c1nc2cnc(Cl)[nH]c-2n1)c1ccc(F)cc1 587169880 DNYLKWAJMWTKEQ-UHFFFAOYSA-N 409.855 3.626 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O 587476407 OVVAFSKWTBVISR-WMZHIEFXSA-N 417.502 3.847 0 1 HHAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587748943 BXNBDUAWRFIFCL-WYRIXSBYSA-N 409.299 3.901 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@@H]3CCOC3=O)c2)N1 587836504 VZTMBKIVUFXGBI-RWTORFTKSA-N 420.278 3.906 0 1 HHAF CCOC(=O)CC[C@@]1(C(C)C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697856 MJTLDHPDDZPUNI-QAPCUYQASA-N 405.388 3.638 0 1 HHAF CN(C)CCCOc1ccccc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962768337 REBDLFKCGXVRTB-UYAOXDASSA-N 406.448 3.752 0 1 HHAF COC(=O)c1cc([C@]2(CC(C)C)NCCc3cc4cccc(OC)c4nc32)cn1C 963054693 JFABQNCOEFAKRV-DEOSSOPVSA-N 407.514 3.804 0 1 HHAF O=C(CN1CCC[C@H](CCc2ccccc2)C1)N[C@H]1CCN(Cc2ccccc2)C1 1857566022 JMLPATPCDYFEAO-RPBOFIJWSA-N 405.586 3.722 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](COC(=O)CCC(=O)O)[C@@]2(C)CC[C@H](C)CCO 2356731165 DQBYZULBDHLLAH-PJMPUZMDSA-N 424.578 3.943 0 1 HHAF CCc1noc(C)c1C(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 13594158 DPPHJIPUISQNOG-OAHLLOKOSA-N 419.472 3.772 0 3 HHAF O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(COc2ccc(F)cc2F)on1 13636946 NJXQBOCBDWFLMG-KRWDZBQOSA-N 413.424 3.536 0 3 HHAF O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 104012865 VFWAQOYRNFFDDW-GDBMZVCRSA-N 424.810 3.728 0 3 HHAF C[C@@]12C(=O)N(CCc3ccc(Cl)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2108701 KTGYKRXLVBRXDX-HSZRJFAPSA-N 407.901 3.506 0 1 HHAF biogenic C[C@@H](NC(=O)[C@]1([S@](C)=O)[C@@H](C)C1(Cl)Cl)c1ccc(Br)cc1 6490956 VMASMYSTIDDLTO-KESBKRNTSA-N 413.164 3.567 0 1 HHAF in-vitro C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)C1 12563461 KVWDGHBBXQKJCT-BZSNNMDCSA-N 412.555 3.945 0 1 HHAF CCCC[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)c1ccccc1 13555158 YCRDUOBIMYIMRS-JZTIPWCFSA-N 413.606 3.975 0 1 HHAF O=C(O)C(CCCCn1cnc2c1NC=NC[C@@H]2O)(c1ccccc1)c1ccccc1 13807393 SIEPWUZFTVTLIO-FQEVSTJZSA-N 418.497 3.612 0 1 HHAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25429888 CLVWLXHXGDMCIQ-UTKZUKDTSA-N 402.494 3.651 0 1 HHAF biogenic O=C1CN=C(c2ccccc2F)c2cc(Br)ccc2N1C1CCNCC1 27764827 NYYYOANEUJSELQ-UHFFFAOYSA-N 416.294 3.524 0 1 HHAF COCCCc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]ncc12 49113839 GRZBWGYGOQGCSD-UHFFFAOYSA-N 407.396 3.877 0 1 HHAF C[C@H]1O[C@@H](n2cnc3c(N)nc(OC4CCCC4)nc32)[C@H](O)[C@@H]1CC1CCCCC1 95560026 MHRCHWKASLPAJV-FOQDVSOJSA-N 415.538 3.595 0 1 HHAF COc1ccc(C(C)(C)C)cc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823151 MIUDTRFMDYMLHR-ROUUACIJSA-N 408.546 3.608 0 1 HHAF CN(C)C(=O)Cc1ccc(OCc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146689097 DKJPGEIOLHXOGH-UHFFFAOYSA-N 415.493 3.743 0 1 HHAF Cc1cccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)c1 149348513 IUSJGJBHKZUGCZ-LJQANCHMSA-N 408.523 3.930 0 1 HHAF Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccc(C(F)F)cn2)n1 205801570 SGMUVWJQJPJTOI-CVEARBPZSA-N 400.433 3.646 0 1 HHAF COC1=C(c2ccc(O)cc2)[C@@](Cc2ccc(O)c(CC=C(C)C)c2)(C(=O)O)OC1=O 238773747 FQYAPAZNUPTQLD-DEOSSOPVSA-N 424.449 3.587 0 1 HHAF CCn1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1F 261187995 YDFGIFLYGLMJSV-SFHVURJKSA-N 414.868 3.761 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccnc(N)c3[nH]2)c1C=O 586968085 LRXZNAFTIFIKGE-UHFFFAOYSA-N 412.906 3.852 0 1 HHAF CN(C)C(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587028844 AGNHGYJVOYPFHP-UHFFFAOYSA-N 402.483 3.786 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 587058290 FFXKPARISWEHCA-INIZCTEOSA-N 406.939 3.537 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2cc(Br)ncc2[nH]1)C(F)(F)F 587091310 CZSOSSADCNAHJM-OAHLLOKOSA-N 415.213 3.884 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccn1)CC2 587581313 GWRKOSCOYFZDHN-NRFANRHFSA-N 402.450 3.784 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587594294 NYQMKGZWMYCGAO-SKPFHBQLSA-N 402.402 3.606 0 1 HHAF CCOc1ccc(-c2nn(Cc3ccnnc3)c(=O)c3ccccc23)cc1OCC 587668566 DERBSSIPPNGXFE-UHFFFAOYSA-N 402.454 3.699 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587799089 WDPLYBVQOIGTTC-APBUJDDRSA-N 405.267 3.635 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(O)c2cnn(C)c2n1 587859190 CLCGUBRKRCGSKL-UHFFFAOYSA-N 405.245 3.627 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 587873286 XGOCOKYQFWNCHP-MRXNPFEDSA-N 423.444 3.790 0 1 HHAF CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)[C@@H]3C[C@H]21 618017621 UMTFUJUSADOGPS-UKAVVXHISA-N 409.482 3.982 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@]3(CCCNC3)Oc3ccccc31)N(C)[C@@H](C)C2 962629595 PISOESHVRQNEGW-XNWMQKSCSA-N 408.542 3.729 0 1 HHAF COc1cccc2c1CCC[C@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962663510 JYQLIRUWIYSDPR-DQEYMECFSA-N 402.494 3.922 0 1 HHAF O=C(c1ccc(C(F)(F)F)cc1)[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963218069 BRVBVUUUDTZJGD-MSOLQXFVSA-N 400.356 3.777 0 1 HHAF CNC(=N)NCC[C@]1(O)CC[C@@H]2[C@@H]1C[C@H](C1=CCC[C@@H]3CCCC[C@@H]13)CC[C@@]2(C)O 2356355857 IANOPMUQDBFUEJ-MWTULVOASA-N 417.638 3.955 0 1 HHAF Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 61923111 OKTLUHLPRNUIIK-AABGKKOBSA-N 408.527 3.715 0 3 HHAF C[C@@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43CCN)OCCO5)[C@H]1CCC21OCCO1 4635737 HWXXPLRSBHPGSF-MLBCHFTJSA-N 403.563 3.764 0 1 HHAF biogenic O=C(CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCCCc1ccncc1 11786769 VALLIEMRNOCPMD-SANMLTNESA-N 415.537 3.955 0 1 HHAF O=c1[nH]c2c(O)ccc(CCNCCCCCOCCc3ccccc3)c2s1 13524197 XOCXNGBOTXIXSZ-UHFFFAOYSA-N 400.544 3.857 0 1 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@@H]1CN3CCC[C@@]3(O)C=C21 14824756 KKOZIXJFGMEJCY-YADARESESA-N 409.482 3.667 0 1 HHAF biogenic O=S(=O)(c1ccccc1F)C1(F)CCN(CCc2ccc(F)cc2F)CC1 28107167 ZIUKNCKMMHVPCJ-UHFFFAOYSA-N 401.425 3.882 0 1 HHAF CC(=O)Nc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 28897224 DRTGCWJSZYFKKE-UHFFFAOYSA-N 416.462 3.775 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C 36153176 SZDSCLOAPYDVBU-PEDPXRSFSA-N 402.579 3.513 0 1 HHAF CC1(C)C=C(C(=O)NCCCNCc2ccccc2OCc2ccccc2)C(C)(C)N1 40639254 QYUCTUGGZPHTSY-UHFFFAOYSA-N 421.585 3.948 0 1 HHAF CC(=O)Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 72127768 BGGDLYCFNNWGEW-UHFFFAOYSA-N 424.400 3.887 0 1 HHAF COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)N(C)C2=O)cc1 73220086 SWTPPZNTELPRNN-GDNBJRDFSA-N 403.232 3.603 0 1 HHAF Cc1ccc2nc(C)n(NC(=O)c3sc(=S)n(-c4ccccc4)c3N)c(=O)c2c1 84709949 XHYQKAVENUMFCX-UHFFFAOYSA-N 423.523 3.561 0 1 HHAF COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 95875594 IAOUQVOLJYGUBM-NXCFDTQHSA-N 406.570 3.997 0 1 HHAF COc1ccccc1OCCNC[C@@H](O)COc1ccc2[nH]c3ccc(F)cc3c2c1 96939504 ZHKMKGACKWMKSV-QGZVFWFLSA-N 424.472 3.877 0 1 HHAF O=C1CC(=O)N(CCc2cccc(Cl)c2)C(=O)N1CCc1cccc(Cl)c1 102827765 IGZJGFKSBMEGRK-UHFFFAOYSA-N 405.281 3.960 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C2CC2)n2c1COCC2)c1ccccc1 146095845 HOFWNVWWDXGGGC-NHCUHLMSSA-N 421.541 3.914 0 1 HHAF CCCC(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167301919 DLJQLLYFAPEDOX-UHFFFAOYSA-N 408.502 3.799 0 1 HHAF COc1ccc(S[C@@H]2CC(=O)O[C@@H](C)CCC/C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 169359083 BGCBFSVLAFDGMW-WGNGMOGMSA-N 420.571 3.966 0 1 HHAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CC(F)(F)C3)c2n1 207622698 VDIOVLWWFRAUSV-UHFFFAOYSA-N 423.427 3.633 0 1 HHAF CC1CCC(NC(=O)c2c(O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1 299857172 DTACOIAFVQJIHP-UHFFFAOYSA-N 409.461 3.598 0 1 HHAF COc1ccc(N(CCN)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1 299865596 NXMSNDXZBDENPU-UHFFFAOYSA-N 416.485 3.939 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1)N1CCC1 586956106 UPIVBSUKHMYWBC-UHFFFAOYSA-N 416.812 3.692 0 1 HHAF CN(C)CCOc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586998236 ZPBBVKGXNYHPPK-MRXNPFEDSA-N 403.324 3.508 0 1 HHAF FC(F)(F)Oc1ccc2c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1 587126891 HNPTYTHAZYNQMO-UHFFFAOYSA-N 417.391 3.837 0 1 HHAF C[C@@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336397 NIWLVNCUZQEOSZ-UPVQGACJSA-N 421.424 3.670 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 587350729 YAOXAUCFZSLJEA-REWPJTCUSA-N 401.397 3.952 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355268 UBVIFFWLISDNJR-LFVIRAHLSA-N 424.424 3.719 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c(I)n[nH]c13)O2 587386343 JIPIZTVDDPHSFL-AWEZNQCLSA-N 419.222 3.765 0 1 HHAF CCOC(=O)N1CCN(c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587399677 MTRDTIZOOCEBPY-NRFANRHFSA-N 409.486 3.562 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C\N(C)C 587474897 IEZAFRUPFMOYHE-MEWQITQSSA-N 416.518 3.745 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC(=O)O)c(OC)c1)CC2=O 587486206 YRTNXZQAXAPSMF-KRWDZBQOSA-N 416.426 3.532 0 1 HHAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587561529 SOGJZVXWNLVFKR-VYNWYKCFSA-N 407.514 3.773 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582333 ZSTOSZDITDQOKR-JOGUKUGOSA-N 419.433 3.608 0 1 HHAF COc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc(OC)c1O 587862631 SMWBYQFRXAMKAT-UHFFFAOYSA-N 422.359 3.989 0 1 HHAF Cc1ccc(CN2CC[C@@H](N3CC[C@H](c4ccc(O)cc4)[C@@H](F)C3)C2=O)cc1F 1772579609 LAKBGWVRKNIOGO-BAGYTPMASA-N 400.469 3.768 0 1 HHAF Fc1ccc(-c2nc3c(N4CCOCC4)nccn3c2-c2ccc3n[nH]cc3c2)cc1 1857541748 CJGBAZTVYBREGN-UHFFFAOYSA-N 414.444 3.915 0 1 HHAF COc1c(C(C)C)cc2c(c1O)[C@@]13CCC[C@@](C)([C@@H]1CC2)[C@H](OC(C)=O)OC3=O 1857575453 UNQVCHJFBNMSGB-AZIXLERZSA-N 402.487 3.961 0 1 HHAF COc1ccc2oc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1 1857774723 RVBIUDMTBMMGLC-UHFFFAOYSA-N 420.509 3.834 0 1 HHAF COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 4106132 XMTGONMECUMEOY-HHHXNRCGSA-N 401.875 3.549 0 3 HHAF COc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1OC1CCN(C(C)C)CC1 12464855 RIXHLKADIMJEOT-UHFFFAOYSA-N 417.575 3.950 0 3 HHAF COc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 10013265 CERKQKCUFQTJBP-UHFFFAOYSA-N 419.868 3.978 0 1 HHAF CCOC(=O)N1CCc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCCC2)cc1 12353863 KUEZQAQZOUTJKW-HSZRJFAPSA-N 410.514 3.971 0 1 HHAF CC[C@@H](C)NC(=O)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F 13124143 LMIJBROYIJMKEI-AKWBHNSASA-N 410.396 3.800 0 1 HHAF CCCOc1nc(N2CCCCC2)c2nc(OCCC)nc(N3CCCCC3)c2n1 13583330 QETQWBKGNNPELL-UHFFFAOYSA-N 414.554 3.978 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)NC[C@H]1CCCO1)[C@@H]2O 13681919 UPLQUPWXNBLNQX-XWHLOPOVSA-N 413.558 3.521 0 1 HHAF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C)[C@H]3OC(=O)C(C)C 13889784 RKOUZOCIIHIJRE-DAOPMYJZSA-N 406.434 3.933 0 1 HHAF biogenic O=c1nc(SCc2ccccc2F)n(Cc2ccco2)cc1Cc1cncnc1 26571381 PJWDYMOCZOFLCQ-UHFFFAOYSA-N 408.458 3.697 0 1 HHAF C[C@@H](CC(c1ccccc1)c1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27736324 ZOYCOQVOODGYKD-BXKMTCNYSA-N 404.510 3.725 0 1 HHAF O=C(OCc1ccccc1)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C1SCCS1 28259497 KNIHQNCUSQOEJP-IAGOWNOFSA-N 406.573 3.585 0 1 HHAF COc1cc(NCCCCCCN2CCN(CCCO)CC2)c2nccc(C)c2c1 29569614 PRDQKGNEQJNJMA-UHFFFAOYSA-N 414.594 3.524 0 1 HHAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 64446771 AGOMZXFWATVFOH-FRQCXROJSA-N 407.520 3.515 0 1 HHAF Cc1c2c(n3c1CNCCC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71316390 FYPQZUMXQDYMNW-AWEZNQCLSA-N 408.546 3.724 0 1 HHAF COc1cccc(CNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)c1OC 82068597 ZARUEJSZDXYEMP-UHFFFAOYSA-N 422.485 3.735 0 1 HHAF CN(C)c1cc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1 103292372 OFZFKJYQCKLKOE-UHFFFAOYSA-N 415.307 3.717 0 1 HHAF O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CC[C@@H]3N1 113222309 QBZDRCQBGMITBW-QRWLVFNGSA-N 416.456 3.781 0 1 HHAF O=S(=O)(c1cncc(C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147995585 QISFXKRNAUBRCC-UHFFFAOYSA-N 416.808 3.979 0 1 HHAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(F)cc4-c4ccccn4)C[C@@H]3C2)n1 167090073 UOVVTUIUPUBXQO-QZTJIDSGSA-N 417.488 3.503 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CC(=O)N[C@H]3C)nn2-c2ccccc2)c1 169706956 VLITZOXPAMVUQW-OXJNMPFZSA-N 402.498 3.955 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CC(=O)N[C@H]3C)nn2-c2ccccc2)c1 169706957 VLITZOXPAMVUQW-JXFKEZNVSA-N 402.498 3.955 0 1 HHAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCCCCCN(C)C)cc1 199940658 MZECZFBGNUSGHF-UHFFFAOYSA-N 420.623 3.917 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(SC)cc4[nH]3)c2)o1 586923448 LVKBXWAHHYZLRA-UHFFFAOYSA-N 414.512 3.871 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(I)cccc31)O2 587385639 DWNGKQHBXMHNMO-GOSISDBHSA-N 405.235 3.989 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NCC)c(OC)c1)CC2=O 587470388 MGOIWQHXRMOWDW-FQEVSTJZSA-N 413.470 3.575 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccco2)Cc2nc(N)ncc21 587472769 MSPHNVFKTCFRLO-ZLOXQWCVSA-N 405.454 3.901 0 1 HHAF O=C(O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c2c1 587592322 GOINUDKBMSAGBR-UWJYYQICSA-N 402.362 3.670 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587735800 VHKRYJLUEVKREA-HOGDKLEQSA-N 422.225 3.866 0 1 HHAF CC(C)(C)OC(=O)N1CCC([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)CC1 963226283 DQWQCHQSUQIMJH-WOJBJXKFSA-N 411.502 3.522 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(/C=C3\CC(=O)NC3=O)cc1)O2 1857545818 QGIIGZIXQRLUSQ-ZGWRVGINSA-N 421.493 3.910 0 1 HHAF Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O 1857581693 MRKQTXBMWPHPAB-UHFFFAOYSA-N 407.397 3.735 0 1 HHAF CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857618413 APKQBDYJNOXFOW-UHFFFAOYSA-N 400.573 3.997 0 1 HHAF CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCC(=O)O)c(F)c3)c2)C1 1857651602 IGWHREJBXYQVAO-XYPYZODXSA-N 400.324 3.930 0 1 HHAF CCOC(=O)c1cc(-c2ccccc2)n(C[C@@H]2CC(c3ccc(OC)cc3)=NO2)n1 15934977 SVVGIKKNQXICLD-IBGZPJMESA-N 405.454 3.929 0 3 HHAF O=C(N[C@@]1(Cc2ccccc2)CCN(CCc2cccs2)C1=O)c1ccccc1 36389154 SBRKKDLGUWSAGX-XMMPIXPASA-N 404.535 3.934 0 3 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4296090 QNAXABNTRAQMPU-SHJAMOMRSA-N 416.880 3.991 0 1 HHAF CC(=O)N1CCC(N2CCC[C@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 12303924 IYSKNRJMGUXIEN-QHCPKHFHSA-N 409.505 3.907 0 1 HHAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC=C3CC[C@]21C 13607544 NNRDLAZFVJKJBU-KKPVMHFXSA-N 416.470 3.741 0 1 HHAF O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25429889 PCTQAMBOFXFLQC-UTKZUKDTSA-N 422.488 3.718 0 1 HHAF biogenic C[C@@H](NS(=O)(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27563357 RMPCWIMVDRBODV-MRXNPFEDSA-N 402.516 3.556 0 1 HHAF N[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]2C1 49116452 XBHGTEQGRIWAQJ-AGMRTUQYSA-N 413.873 3.807 0 1 HHAF CC(C)CNc1ncnc2c1nc(CC(C)C)n2CCCCOC(=O)C(F)(F)F 82178065 NPYCOFVRTQLNGQ-UHFFFAOYSA-N 415.460 3.978 0 1 HHAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(Cl)c1)CC3 82196230 SFHQGEAXDQYBJD-UHFFFAOYSA-N 418.884 3.781 0 1 HHAF CCOC(=O)c1ccccc1SN1C(=O)C(=O)c2cccc(Br)c21 95593124 XTLZSZWXLSBQPQ-UHFFFAOYSA-N 406.257 3.862 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95877546 OAKICYHVDOOXEH-TZYHBYERSA-N 403.457 3.878 0 1 HHAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H]1CO 95878208 ISQXQAWAXZZFSD-SNRMKQJTSA-N 419.294 3.602 0 1 HHAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccc(F)cc4F)nn23)C1 143824467 HODYSLLYOCDDRP-HNNXBMFYSA-N 421.455 3.741 0 1 HHAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nc4cnccc4o3)C[C@H]2CS1 169708472 MCIIOYNNPPTDHU-KEMVTONXSA-N 402.426 3.536 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984546 SHDJBHCCAXQWBO-OAHLLOKOSA-N 402.292 3.674 0 1 HHAF O=C(Nc1nc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cs1)c1cccc(O)c1 587020169 ZRTHIUAZMJODOJ-UHFFFAOYSA-N 404.373 3.985 0 1 HHAF Clc1ccc(C2=C[C@@H](c3nc4cc(I)cnc4[nH]3)ON2)cc1 587075014 BMDPNWQILWQWSI-ZDUSSCGKSA-N 424.629 3.833 0 1 HHAF O=C(O)CCN(CCc1nc2ccc(Br)cc2[nH]1)Cc1ccccc1 587193341 HPNFWEPRVMRANH-UHFFFAOYSA-N 402.292 3.845 0 1 HHAF COc1ccc(NC(C)(C)c2nc3cc(I)cnc3[nH]2)cc1 587201527 QNFOBUMYGRIDRB-UHFFFAOYSA-N 408.243 3.918 0 1 HHAF CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516738 VMXVAJBRXDNTKF-FQEVSTJZSA-N 409.530 3.965 0 1 HHAF COC(=O)C(=O)C[C@]1(c2ccccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587524243 KXFCMDXDWIGVRJ-DEOSSOPVSA-N 408.450 3.567 0 1 HHAF CCNCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587668696 BRWHGKCWWOKFKD-UHFFFAOYSA-N 409.486 3.501 0 1 HHAF COc1ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1cccc(F)c1 1772614975 JTWPKIZHHJQBIY-LAJNKCICSA-N 402.441 3.509 0 1 HHAF CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(F)c(F)c1OC 1857575022 YJELMXAGNJWBFO-UHFFFAOYSA-N 403.364 3.749 0 1 HHAF CCn1c([C@@](O)(c2ccc(F)cc2)c2ncccc2F)nc2ccc(CCCO)cc21 1857580511 UZQLFZHDHWHEQP-XMMPIXPASA-N 423.463 3.939 0 1 HHAF N=C(C(=O)O)[C@H](c1c[nH]c2ccccc12)[C@@H](C(=N)C(=O)O)c1c[nH]c2ccccc12 2356342667 CKBGWXPNAUCVQQ-HDICACEKSA-N 402.410 3.725 0 1 HHAF CCOc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@@H]2CCCO2)cc1 5444567 TVVNAMGCHKXNDD-IBGZPJMESA-N 408.454 3.796 0 3 HHAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(OC)cc2)c2ccc(F)cc21 206033429 JDHAQLAVYWWBLV-NRFANRHFSA-N 408.429 3.949 0 3 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051622 WSTWSBQHFWIKQQ-VWPQPMDRSA-N 406.507 3.560 0 1 HHAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 4546772 DKMGXGYXVWRENY-SNRMKQJTSA-N 402.466 3.696 0 1 HHAF CCCc1cc(OC)cc(O)c1C(=O)Oc1c(O)cc(CCC)c(C(=O)OC)c1O 14695477 CFXORXZRGPTGFD-UHFFFAOYSA-N 418.442 3.723 0 1 HHAF biogenic CC(C)OCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15968998 ZMNIROINESASHX-FYYLOGMGSA-N 417.509 3.569 0 1 HHAF biogenic CC(C)(C[C@@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1ccccc1 28525564 WJEDKJKCQOZDNI-HXUWFJFHSA-N 407.388 3.957 0 1 HHAF CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 28712940 UJRUQLNCVSHWFC-SGIRGMQISA-N 406.526 3.629 0 1 HHAF CN(C)CCCNc1c(Br)cccc1Nc1ncnc2ccncc12 29133352 MZDLLNADFHWFOD-UHFFFAOYSA-N 401.312 3.895 0 1 HHAF NC(=O)c1ccc2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)cc3)[nH]c2c1 34390510 MXWLUBDXXFDAMW-UHFFFAOYSA-N 415.472 3.795 0 1 HHAF OC[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1 40848148 XDAYSURCVISUSU-HNNXBMFYSA-N 415.295 3.729 0 1 HHAF Cc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3)c3ccccc32)CC1 53174581 SNISZSUHCOKDDB-UHFFFAOYSA-N 412.537 3.923 0 1 HHAF O=C(O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(O)no1 68247600 GUGWWNSCVAKENU-MRXNPFEDSA-N 400.818 3.516 0 1 HHAF COc1cc2nc(NCc3ccc(F)cc3)nc(NC[C@@H]3CCCO3)c2cc1OC 82119780 KOGDPTXRUMXRBF-INIZCTEOSA-N 412.465 3.989 0 1 HHAF O=C(NCCc1cccc(F)c1)c1cnc(N2CCCC2)nc1-c1ccccc1F 82160056 KYOVWHZGYDKXOZ-UHFFFAOYSA-N 408.452 3.995 0 1 HHAF F[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 96175051 MIOMGNNEGLSKDE-HKUYNNGSSA-N 403.461 3.901 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175272 BEXCKJYGXSFUQW-ACJLOTCBSA-N 409.486 3.981 0 1 HHAF CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 103295125 XBMUSPWLGBICPD-OAHLLOKOSA-N 406.158 3.841 0 1 HHAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@H]3CNCc4ccccc43)cc2)cc1 148733384 ZEGLWOVBWQUGAL-DEOSSOPVSA-N 413.521 3.607 0 1 HHAF CCOC(=O)C(C(=O)OCC)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586989651 NVOJWGWRPVBVJC-UHFFFAOYSA-N 419.433 3.670 0 1 HHAF O=C1C[C@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c2c(Br)cccc2O1 587004821 ZCJCZKBIYAYJKD-QMMMGPOBSA-N 419.206 3.798 0 1 HHAF O=C(O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587167459 NLZBYQQILBGGEH-UHFFFAOYSA-N 417.443 3.930 0 1 HHAF Fc1cccc2c(-c3nc4c(Cl)ncc(I)c4[nH]3)n[nH]c12 587176296 JYXCLKYAXNWKDY-UHFFFAOYSA-N 413.581 3.898 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3)nc2c1 587242279 PHADISNLZBPCCB-UHFFFAOYSA-N 403.236 3.660 0 1 HHAF COC(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337246 LXSGBZINWQXBBX-GMAHTHKFSA-N 407.397 3.744 0 1 HHAF COc1cc2c3c(c1)O[C@](CCC(=O)CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O 587453609 XPOYOEWPBIDUPC-BTYIYWSLSA-N 400.452 3.614 0 1 HHAF CCCCC[C@]1(CC(=O)N[C@@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512838 PUAVOOHPJIKAAB-NTKDMRAZSA-N 413.514 3.672 0 1 HHAF CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc(C)c2[nH]1 587566773 YGINLLXXZVWXOV-UHFFFAOYSA-N 413.312 3.553 0 1 HHAF O=C(c1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656633 OLAQOBKJZKGFET-UHFFFAOYSA-N 406.344 3.759 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587797945 UAGDVOFMZAMRJF-OVWNDWIMSA-N 405.267 3.635 0 1 HHAF COc1cc(C)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799866 ZKWUUENBRSATGD-DGIBIBHMSA-N 405.267 3.635 0 1 HHAF CCCn1cc(Cl)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587867606 AUEBVUOPVHNRBO-UHFFFAOYSA-N 413.787 3.921 0 1 HHAF COc1ccccc1-c1nn(C)cc1[C@@H]1NCCc2cnc3c(OC)cccc3c21 963035590 OAPNRUHNGYPPFD-DEOSSOPVSA-N 400.482 3.888 0 1 HHAF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)[C@H](C)[C@@H](C)CN(Cc2ccccc2)[C@@H]1C 963469875 LDFDCABRQWUMNP-OSCSESOUSA-N 408.542 3.671 0 1 HHAF Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCCC4)n2)C(=O)C3(C)C)cn1 1857760669 BZFAIJMAGVZQDA-UHFFFAOYSA-N 400.486 3.798 0 1 HHAF CC(=O)O[C@H]1CC2=C(COC2=O)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@@]3(C)[C@@H]12 2356581983 RTPXSUTVUHNKEI-JUTNUDHDSA-N 418.530 3.966 0 1 HHAF CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 776793 WQCQRBRMTHGJHB-PZJWPPBQSA-N 414.546 3.942 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC 4049110 JFHKUZRNTWPNKX-GMAHTHKFSA-N 409.530 3.635 0 1 HHAF Cc1c(CC(=O)O)c2cc(OCCCO)ccc2n1C(=O)c1ccc(Cl)cc1 13862790 ITWLDOMLMXREQO-UHFFFAOYSA-N 401.846 3.680 0 1 HHAF O=C(O)c1ccc2c(c1)C[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 27326787 SJVGLZAGQNRNHN-CQSZACIVSA-N 407.919 3.902 0 1 HHAF COc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 35919115 OKPZDUVUMLDVPW-UHFFFAOYSA-N 409.465 3.748 0 1 HHAF Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1 38225389 IIBHZRPKYOKYSJ-VWLOTQADSA-N 404.510 3.932 0 1 HHAF COc1ccc(C(=O)CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 40395165 ZQFIJUAVKZEDCE-UHFFFAOYSA-N 416.449 3.931 0 1 HHAF COC(=O)c1ccc(CN2C(=O)[C@]3(OCCC=C[C@@H]3C)c3cc(OC)ccc32)cc1 66123631 QTMVZSYYVSLFPK-UPCLLVRISA-N 407.466 3.837 0 1 HHAF COc1cccc(OC)c1CNc1ncc(C(=O)NCC2CC2)c(-c2ccco2)n1 82142395 MANAPGMEHYOZSZ-UHFFFAOYSA-N 408.458 3.506 0 1 HHAF CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC(N4CCCC4)CC3)ncc2C)C1 82204073 POHNNCLJEVNWOD-ZVDOUQERSA-N 401.599 3.855 0 1 HHAF Cc1c(O)ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1C 87722819 PAUGKXWLDIKBPI-UHFFFAOYSA-N 423.557 3.875 0 1 HHAF CCCCOc1c(NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 101702626 OHSMLJZUTFSMMI-OAHLLOKOSA-N 411.502 3.711 0 1 HHAF C=CC(=O)N1CC(Oc2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2OC)C1 141586784 KMAWLBPQKPGVFL-OAHLLOKOSA-N 404.470 3.587 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@]21C 169713456 ZMAIFLOHRXCDQS-YCXBRTTGSA-N 418.622 3.959 0 1 HHAF COc1ccc2c(c1)[C@@H]1NC(S)=N[C@@](C)(O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 195373270 LJOHCHIDMKAQGY-GJYPPUQNSA-N 403.891 3.642 0 1 HHAF Cc1nc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3[C@H](O)C4)cc2[nH]1 299822131 MMYUDUZZGYLGOO-HXUWFJFHSA-N 407.518 3.551 0 1 HHAF CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 473245032 SVJIQLIAPHOASC-KCLXPQBDSA-N 412.574 3.728 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc2c1 587113213 ZOBVCFHQSIUMIX-UHFFFAOYSA-N 411.767 3.952 0 1 HHAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(O)c2[nH]1 587140685 IRTVLBIHKSCWAM-AWEZNQCLSA-N 412.874 3.522 0 1 HHAF CC(C)[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198527 ITFQRLZCRAEFOS-SFHVURJKSA-N 417.487 3.775 0 1 HHAF CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)n1 587378852 WPYBKIPWRIXFCZ-UWJYYQICSA-N 411.458 3.900 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587412971 KZZPCQIAEMRYNX-VLIAUNLRSA-N 417.255 3.664 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O 587417916 NKFQCTBZCAZKSX-VOJFVSQTSA-N 420.646 3.706 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2nc(N)oc12 587576836 PUXVGRSQZLWNQM-YLJYHZDGSA-N 404.378 3.827 0 1 HHAF COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587724310 GTLKZEGHDQYAON-NIVTXAMTSA-N 414.221 3.817 0 1 HHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587785878 PGNKQFSQJLEQRO-SJORKVTESA-N 415.453 3.566 0 1 HHAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(COCc3cccc(Cl)c32)N1 962703562 MAEIENRGUMAVON-QAPCUYQASA-N 415.770 3.871 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccccc1OCC(=O)N1CCOCC1 963240570 KSHIDCZNHWFYJF-UQBPGWFLSA-N 408.542 3.670 0 1 HHAF CC(=O)Nc1ccc(NC(=O)CNC(=O)CCSc2ccccc2Cl)cc1 1857757686 OKZAFSUSZOOTRT-UHFFFAOYSA-N 405.907 3.536 0 1 HHAF COC(=O)[C@]1(Cc2ccc(O)c(C=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1 2356501959 SGIGWFGUUMVHJH-HSZRJFAPSA-N 410.422 3.501 0 1 HHAF COc1ccc(C[C@H](O)[C@@H]2CO[C@@H](Cc3ccc(OC)c(OC)c3)[C@@H]2C)cc1OC 2356572945 SWGSNNIJAYRWAL-UUIWEUTOSA-N 416.514 3.518 0 1 HHAF C[C@@H]([C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356643293 NRLDULXFOAMEBL-MXOMMRSZSA-N 418.666 3.646 0 1 HHAF COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC 4081354 PLTZHPQCZMQOJZ-WMZOPIPTSA-N 418.877 3.546 0 1 HHAF Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1 4972016 XMEVMZZJSFYYHW-UHFFFAOYSA-N 409.511 3.583 0 1 HHAF CO/C(=C\c1ccc(O)cc1)C(=O)N/C=C/c1ccc(OC)c(Br)c1 13378882 UCXFHNQSLPZQNU-IGZKKZBOSA-N 404.260 3.938 0 1 HHAF COc1ccc(Cn2cnc3c2[C@@H](OCc2cccc(C)c2)N(C)N(C)C=N3)cc1 13559518 KBYPHDBPQQXYGY-HSZRJFAPSA-N 405.502 3.916 0 1 HHAF COc1cc2nc(Nc3ccccc3I)oc(=O)c2cc1OC 13779150 IEKFPDWYWYXPDJ-UHFFFAOYSA-N 424.194 3.553 0 1 HHAF O=C(COc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25412909 DXXRTULUOQBVRY-SJORKVTESA-N 406.507 3.602 0 1 HHAF biogenic CC(C)N(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCC1 26954594 ODTBOMRPMGIDRI-UHFFFAOYSA-N 412.534 3.539 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820944 GDUPOKRLCLDOHZ-XWMSBXEFSA-N 404.547 3.577 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cccnc21 45253038 KEVFPIFYYIABNL-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF O=C(N[C@H](COCc1ccccc1)C(=O)O)c1coc(-c2ccc3ccccc3c2)n1 82085957 PQJQNZQWWMGRCY-OAQYLSRUSA-N 416.433 3.895 0 1 HHAF COc1ccc(S(=O)(=O)N[C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@@H]3CC[C@@H]2C3)cc1 101508284 VCOYWENAIWGYDI-AYMXCHIWSA-N 407.532 3.589 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCCCN3)C2)cc1)N1Cc2ccccc2C1 166892156 VDAVNTHODZEGHU-VWLOTQADSA-N 418.541 3.983 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 169323703 SZDSCLOAPYDVBU-UAHVCGTRSA-N 402.579 3.513 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CCC(C(F)(F)F)CC2)cc1F 216239725 OVHJDMLYVHRGRM-UHFFFAOYSA-N 423.428 3.892 0 1 HHAF Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)ccc1OCC(C)C 221907067 GHWKXMZIPLJSMM-LZLYRXPVSA-N 414.506 3.699 0 1 HHAF CN(C)C(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587018925 CQCMCGKUQCSCEU-UHFFFAOYSA-N 401.492 3.659 0 1 HHAF CCOC(=O)c1ccc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 587091243 CLSQSLXUJKYDRE-IBGZPJMESA-N 407.392 3.903 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 587182181 MKXQYPFFLCBYTK-SSDOTTSWSA-N 421.164 3.696 0 1 HHAF CN1CCN(c2ccc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)CC1 587235033 CLLBCUAQJFLIEC-QZTJIDSGSA-N 413.566 3.866 0 1 HHAF Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587554128 HHXLBARXWGNTNF-MLGOLLRUSA-N 406.316 3.553 0 1 HHAF COCc1nc(Cl)cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655455 HSFGLXFHKFAGNJ-UHFFFAOYSA-N 414.799 3.921 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccncc2)no1 587657038 QUGWIBRLMWQFBD-UHFFFAOYSA-N 403.348 3.776 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nn2)N1 587760258 OMWYRARWDBJQRO-BLVKFPJESA-N 401.283 3.852 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(-c2ccccc2)no1 587868322 ZDDNWQPNIFUEMG-UHFFFAOYSA-N 415.331 3.711 0 1 HHAF COc1cccc([C@@]2(c3c(OC)cccc3OC)NCCc3cc(C)c(F)cc32)n1 962148763 UVAFVYQFWHMTKC-DEOSSOPVSA-N 408.473 3.993 0 1 HHAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1CC 962731234 QJQCPFWCYGSAIS-IERDGZPVSA-N 422.447 3.971 0 1 HHAF C[C@]1(CN2C(=O)c3ccccc3C2=O)c2ccsc2CCN1Cc1cccnc1 963005093 GQDCYGVBGVCVQS-QHCPKHFHSA-N 403.507 3.713 0 1 HHAF C[C@@H]1Cc2ccccc2[C@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963152358 UNRWRXMRHBBAHR-PKQAIAMASA-N 400.500 3.825 0 1 HHAF COc1cccc(-c2cc3c(c(O[C@H]4CCN(C)C4)c2)OCCN(C(=O)C2CC2)C3)c1 1772628656 FXPUWPPJUNSHAS-QFIPXVFZSA-N 422.525 3.576 0 1 HHAF CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O 1857552673 FDEVXQQOCFIMQS-UHFFFAOYSA-N 421.424 3.989 0 1 HHAF COC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857554728 NUPHQOUYCZAXCO-KRWDZBQOSA-N 400.431 3.639 0 1 HHAF COc1cc(OC)c([C@H]2CCC(=O)c3c(OC)cc(OC)c(OC)c32)cc1OC 13480698 HDOLGKQZQAYPJH-GFCCVEGCSA-N 402.443 3.847 0 1 HHAF biogenic CCCNC(=O)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)OCC)c2)C[C@H]1CC 25430046 UXTIDJUKPYZWBN-IAGOWNOFSA-N 403.523 3.660 0 1 HHAF biogenic Cc1cc(CCN2CCOCC2)ccc1Nc1nccc(-c2c[nH]c3ncccc23)n1 36124428 NQCDYPGJGMFSFB-UHFFFAOYSA-N 414.513 3.947 0 1 HHAF CN1CCC(c2ccc(Nc3ncc(C(N)=O)c(NCc4ccccc4)n3)cc2)CC1 40892628 SAIDBURXYHDRLJ-UHFFFAOYSA-N 416.529 3.740 0 1 HHAF O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCC[C@@H](OCCCN2CCOCC2)C1 43067069 YPUVSUVAEBMZCZ-RJPNVUGNSA-N 418.622 3.759 0 1 HHAF CCC[C@H](NC1Cc2ccccc2C1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1 71333723 SPNSYYZDTXOIIC-QFIPXVFZSA-N 423.605 3.578 0 1 HHAF CCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCCC[C@H]4C)c3c2C)CC1 82091210 VKOZAIWDVVBKGJ-OAHLLOKOSA-N 415.607 3.855 0 1 HHAF O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nn1-c1ccccn1 82149095 GDRKISYBEKBJNO-UHFFFAOYSA-N 402.498 3.690 0 1 HHAF O=C(CCCNc1nc(-c2cc(O)cc(O)c2)cs1)NCCc1ccccc1F 82195733 YIVVTDAFIIJOSB-UHFFFAOYSA-N 415.490 3.911 0 1 HHAF CC[C@@H](C)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(C)c3)c2)n1 87613024 IWHHATFLRGDLGT-OXQOHEQNSA-N 407.518 3.762 0 1 HHAF CCCC[C@H]1OC(=O)c2cc(NC(=O)c3ccccc3OCCO[N+](=O)[O-])ccc21 95603817 GNXSOASXCSUCJF-LJQANCHMSA-N 414.414 3.928 0 1 HHAF O=C(NC1[C@@H]2CN(CCCc3ccccc3)C[C@@H]12)[C@@](O)(c1ccccc1)C1CCCC1 101486799 DJBRSVQJAQGQJK-FKCDAAJZSA-N 418.581 3.744 0 1 HHAF NC(=O)c1cccc2c(NCc3cccc(NC(=O)Cc4ccccc4)c3)ncnc12 114349426 BZUCVINJZSBGPK-UHFFFAOYSA-N 411.465 3.522 0 1 HHAF O=C1COc2ccc(NC(=O)NC[C@H]3CCc4ccc(C(F)(F)F)cc4O3)cc2N1 143602697 LCJDCXRHRYGMIM-CQSZACIVSA-N 421.375 3.552 0 1 HHAF COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 169363036 AFXKNDHWOJNFSQ-FDFHNCONSA-N 410.543 3.775 0 1 HHAF CC(=O)O[C@H]1C(=O)C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)C(C)(C)O3 238742436 SDZIOQMTTOGBTB-YJFFOVIBSA-N 414.498 3.717 0 1 HHAF O=c1c(-c2nc3nc(Cl)c[nH]c-3n2)cc(Br)cn1Cc1ccccc1 587006740 NZIZOPQNTMIRFS-UHFFFAOYSA-N 416.666 3.597 0 1 HHAF O=C1CC=C(c2nc3cc(F)cc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 587164621 YCGQOGNPENAPGG-UHFFFAOYSA-N 419.229 3.882 0 1 HHAF COC(=O)c1ccnc2[nH]c(/C=C/c3cccc(I)c3)nc12 587183948 LTLFKRFMASKMCD-AATRIKPKSA-N 405.195 3.520 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 587202692 KRWBZNXNKWCJOU-HNNXBMFYSA-N 418.247 3.768 0 1 HHAF 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HHAF COc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCCN3C)c3ccccc32)cc1OC 28525791 JXWPDTWEQZUZDW-KRWDZBQOSA-N 414.527 3.532 0 1 HHAF Cc1ccc(CN(Cc2cc(-c3ccccc3)on2)[C@H](CCCCN)C(N)=O)cc1 29558862 WRLOXMUVVVJKCR-JOCHJYFZSA-N 406.530 3.635 0 1 HHAF C[C@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 34576125 CCDVJVRCTNQEOE-AWEZNQCLSA-N 406.523 3.915 0 1 HHAF CC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(=O)(=O)Cc1ccccc1)C2 43122480 HCWWAAMQYOFKCS-UHFFFAOYSA-N 401.576 3.770 0 1 HHAF Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 45364537 SMAKGEJBDCIZDO-UHFFFAOYSA-N 404.875 3.984 0 1 HHAF CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(C)c3ccccc23)C1=O 96285036 NEWXWFKQKHOKBT-MBSDFSHPSA-N 415.537 3.720 0 1 HHAF COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 100705918 FQWDVKWVJIJRAC-GFCCVEGCSA-N 409.467 3.893 0 1 HHAF COc1ccc(-c2cnc(N3CC(Oc4ccc([C@H](C)NC(C)=O)cc4)C3)nc2)cc1 142330841 ZOUGMCSVOGSTCX-INIZCTEOSA-N 418.497 3.617 0 1 HHAF O=C(N[C@H](CO)c1ccccc1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166752484 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CCOC(=O)Nc1ccccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236924 SUPYURYOWFLHDE-NFBKMPQASA-N 405.454 3.666 0 1 HHAF COc1cc(C(=O)c2cnc(-c3c[nH]c4cccc(OC)c34)[nH]2)cc(OC)c1OC 1857554972 CXPUVXNDLLAAFZ-UHFFFAOYSA-N 407.426 3.823 0 1 HHAF CO[C@@H]1CC[C@H](C)C=CCCC(C)=CC(=O)O[C@@H](CC(=O)[C@@H]2CSC(=O)N2)C1 2356617828 SMSHEBYPBWDJEV-DDBAPUKQSA-N 409.548 3.800 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1[C@@H](OC)O2)C=CC(C)(C)O4 2356657658 PJHSNMSFYNPHLP-PTUXOGIPSA-N 424.449 3.980 0 1 HHAF Cc1cc(C)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 5067017 DZKJQGVLLCPVCL-LJQANCHMSA-N 409.511 3.643 0 3 HHAF COc1cccc(C2=N[C@](C)(CC(=O)NCc3ccc(F)c(Cl)c3)ON2C)c1 205213219 LXDVZISVUJUIQV-FQEVSTJZSA-N 405.857 3.534 0 3 HHAF COc1cc2nc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2cc1OC)C(=O)OC3 26939243 PDIVVTQAKXAJHD-UHFFFAOYSA-N 411.410 3.615 0 1 HHAF COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(NS(C)(=O)=O)cc2)cc1 29407860 KSEMYSKMEIGWTM-UHFFFAOYSA-N 411.405 3.938 0 1 HHAF Nc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 29464742 HEYUXQMTFZWCKO-UHFFFAOYSA-N 423.476 3.926 0 1 HHAF CN(C)C(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114765003 ANSSZIVBGPLTCQ-UHFFFAOYSA-N 410.562 3.848 0 1 HHAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CO)nc1Cl 142915325 RNCBSNUGHGRWSY-UHFFFAOYSA-N 406.873 3.642 0 1 HHAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)C[C@H]3C)n1 169702261 ARWPUMUNJQFGGQ-OAHLLOKOSA-N 415.501 3.790 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F 205769599 FQHDBBOTIYOYLF-UHFFFAOYSA-N 421.534 3.988 0 1 HHAF Cc1ccc(-c2noc([C@@H]3CCC(=O)C3)n2)cc1NC(=O)c1cnc2ccccn12 206101281 CMKHFELGXWLQSX-OAHLLOKOSA-N 401.426 3.782 0 1 HHAF COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](C)C1 299848950 XZXXLPIPCBQIPA-CXAGYDPISA-N 410.356 3.768 0 1 HHAF CCn1c(C)nnc1[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1 299867584 QIUFQJNLNIREGJ-GOSISDBHSA-N 422.913 3.661 0 1 HHAF O=C1COc2cc3[nH]c(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)nc3cc2N1 586914571 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1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 587842425 DRKVQQPTBZLWRX-HXPMCKFVSA-N 424.335 3.934 0 1 HHAF CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1CC 962731235 QJQCPFWCYGSAIS-IIBYNOLFSA-N 422.447 3.971 0 1 HHAF CC(C)(Br)[C@@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962904071 NBWJZIMISWEVKW-KXBFYZLASA-N 410.258 3.981 0 1 HHAF CSc1nsc2sc([C@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c(N)c12 963522737 GRHJCZAKTGOHQN-NIVTXAMTSA-N 421.569 3.538 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCCc1cccnc1)CC3 1772600254 UPGLVPROCCMJTH-LJQANCHMSA-N 416.550 3.591 0 1 HHAF CCc1cnn2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc12 1857552629 YZTFAKZIZSRZNJ-UHFFFAOYSA-N 410.474 3.953 0 1 HHAF COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)cc2c1 1857598042 PHEMYQOYQOWGNH-UHFFFAOYSA-N 421.474 3.886 0 1 HHAF COCCNC(=O)[C@]1(C)CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 61929065 NJYMXLIGVQJYGW-HXUWFJFHSA-N 407.967 3.828 0 3 HHAF CCCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 263590322 MQHPXADYBWLPKO-YJBOKZPZSA-N 422.909 3.855 0 3 HHAF CC(=O)c1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O 5833560 XAPZYJFLCOBOIV-AAEUAGOBSA-N 408.227 3.569 0 1 HHAF CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3ccccc3Cl)ncn2)cc1 13537873 YXVXFUBOIUONRY-MRXNPFEDSA-N 413.909 3.919 0 1 HHAF Cc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@](O)(Cc1ccccc1)O2 14556231 YICIIZDXYKQWHP-VWLOTQADSA-N 414.413 3.980 0 1 HHAF biogenic O=C1NC(=O)C(n2cc(C3CCNCC3)c3ccccc32)=C1c1c[nH]c2ccccc12 29125720 DQWIJVYKRYXVFE-UHFFFAOYSA-N 410.477 3.614 0 1 HHAF CCOC(=O)CCCCCO[C@H](COCc1ccc(OC)cc1)Cn1ccnc1 29484358 HHSHWHNTZZRHFL-NRFANRHFSA-N 404.507 3.617 0 1 HHAF CCOC(=O)c1c(C)nn(-c2ccc(C(=O)NCc3ccccc3OC)cc2)c1C 38734401 YULUYVQUYDRWPL-UHFFFAOYSA-N 407.470 3.604 0 1 HHAF O=C(C1CC1)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72103401 KRARWEUCTJCQJC-LJQANCHMSA-N 404.436 3.575 0 1 HHAF O=C(c1ccc(C(F)(F)F)cc1)N1CC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C1 73220016 PZTRMLJXELCOOI-GOSISDBHSA-N 413.399 3.769 0 1 HHAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(OC)n4)n3)ccc21 95755345 YBMRVGRDMZQSHO-UHFFFAOYSA-N 408.483 3.765 0 1 HHAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1ccnc(-n2cccn2)c1 167586830 FEGKGROBQXJQRV-SFHVURJKSA-N 406.486 3.928 0 1 HHAF Cc1cnc(C(C)(C)NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)s1 206687600 LVBCLFJZEHMXTK-UHFFFAOYSA-N 422.501 3.756 0 1 HHAF CN1CCC[C@H]1CCNCC1CN(c2ncnc3scc(-c4ccccc4)c23)C1 223012046 AURQYWVQGSCCSA-IBGZPJMESA-N 407.587 3.868 0 1 HHAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(-c3ccco3)n2)c1O 299820055 GICWJHMSMVEGMM-UHFFFAOYSA-N 409.851 3.727 0 1 HHAF COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2nc3ccccc3s2)cc1 299867133 XIVMSVYFVMFJCG-QGZVFWFLSA-N 410.524 3.736 0 1 HHAF CNC(=O)[C@H]1Cc2cc(-c3ccccc3)ccc2N1C(=O)COc1ccc(F)cc1 473135567 JQNBSFRDBFCIRV-JOCHJYFZSA-N 404.441 3.575 0 1 HHAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(C(C)(C)C)c3[nH]2)c1 587230084 FCCHHPVOZQKKBJ-UHFFFAOYSA-N 422.529 3.808 0 1 HHAF Cc1ccnc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587333026 HGEUZXOPNYNJLZ-NZQKXSOJSA-N 421.428 3.776 0 1 HHAF Cc1nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)n2n1 587350370 XBEMTYHJDYKYGD-NZQKXSOJSA-N 418.428 3.860 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCC(=O)O)c(OC)c1)CC2=O 587478599 GKDYKZLJZOQAJQ-IBGZPJMESA-N 400.427 3.913 0 1 HHAF COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587594882 PPSRHSFEJKBOBZ-AUSIDOKSSA-N 406.390 3.761 0 1 HHAF O=C(c1cn2cc(F)ccc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658349 MMIKKUWAHIQXHR-UHFFFAOYSA-N 402.360 3.678 0 1 HHAF CN(CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C(=O)OC(C)(C)C 587659672 AERNPBZQYKGPAA-UHFFFAOYSA-N 411.433 3.710 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)n2C)N1 587685921 USILIYZUMBTPHA-CPFSXVBKSA-N 403.093 3.708 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(F)cc1 653901762 MVCHXLDCXRQEML-UHFFFAOYSA-N 404.825 3.707 0 1 HHAF COc1ccc(-c2nn(C)c3c2[C@@]2(CCC3)NCCc3c(C)ccnc32)cc1OC 963078848 ZOTHRIHFKBGCHV-XMMPIXPASA-N 404.514 3.533 0 1 HHAF CN(C)CCCCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963234652 RBEDUUKRWPFMKP-BJKOFHAPSA-N 419.525 3.644 0 1 HHAF O=C(O)c1cc(F)c2nonc2c1Nc1ccc(I)cc1F 1772627403 MMCDYBANGLMJNO-UHFFFAOYSA-N 417.109 3.547 0 1 HHAF COc1cc2c(cc1OC)CN(C(=O)c1c(-c3ccccc3)noc1[C@@H](C)O)CC2 2356290679 YVWOKYBMSILYEW-CQSZACIVSA-N 408.454 3.611 0 1 HHAF COC1=C(C(C)C)[C@@H]2CC=C(C)[C@@H]3OC(=O)C[C@@H]3C(=O)[C@@H](C)CC[C@@]2(C)OC1=O 2356406917 LDNGIXCVOPOZFN-KQXOCYMZSA-N 404.503 3.742 0 1 HHAF CC1=C[C@H](c2cc(O)cc(OS(=O)(=O)O)c2)[C@@H]2[C@H](C)CN=C3C[C@H](C)C[C@@H]1[C@@H]32 2356800464 QCLDAHVVVNMYLA-ADRSBHIWSA-N 405.516 3.987 0 1 HHAF O=C(Nc1ccccc1)c1cc([C@@H]2COCCN2C(=O)CCCc2ccccc2)on1 61908533 MOSGFKPVPYXWDZ-NRFANRHFSA-N 419.481 3.850 0 3 HHAF Cc1cccc(-c2noc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)c1 61959836 LPBFCSUQLKLTRL-UHFFFAOYSA-N 404.514 3.943 0 3 HHAF COC(=O)[C@H]1Cc2c(n(C)c3ccccc23)[C@H](CCC(=O)O)N1Cc1ccccc1 1620530 PWFSWGNUCOCART-LEWJYISDSA-N 406.482 3.684 0 1 HHAF CCCCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 1906378 CRBWSCQTBBPMTG-RTWAWAEBSA-N 409.482 3.933 0 1 HHAF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC 4055635 YYYHEIFADCMQDH-UYAOXDASSA-N 402.878 3.593 0 1 HHAF O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4211778 RNIWBBFTXTVNKX-SBHAEUEKSA-N 410.857 3.875 0 1 HHAF CCCCCNC(=O)[C@@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 8471838 FQZAFHLKDGVMKO-NTKDMRAZSA-N 424.545 3.534 0 1 HHAF biogenic O=C(O)c1ccc2c(c1)/C(=C/CNS(=O)(=O)c1ccccc1)c1ccccc1CO2 13727042 XXNXGVCKVOHGSX-UDWIEESQSA-N 421.474 3.687 0 1 HHAF CN=c1c(Br)c[nH]c2sc3c(=O)n(-c4ccc(Cl)cc4)cnc3c12 28827198 PFKFGKXVMKQDJI-UHFFFAOYSA-N 421.707 3.875 0 1 HHAF O=c1cc(-c2ccccc2)oc2cc(OC[C@H](O)CNCc3ccccc3)ccc12 29561371 XURHVGORTFJYFZ-HXUWFJFHSA-N 401.462 3.990 0 1 HHAF CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1 33988023 RVEPECICCMOVHO-UHFFFAOYSA-N 402.477 3.989 0 1 HHAF CCCCc1cnc(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 38797280 IGHOXCLPGGDPRG-UHFFFAOYSA-N 402.458 3.819 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc(C(=O)CCN3CCCC3)c1)C2 40846872 FIIVANIWTPRMMG-QHCPKHFHSA-N 409.482 3.559 0 1 HHAF COc1ccc(C(=N)NC(C)C)cc1-c1cn(-c2cccc(C(=N)NC(C)C)c2)nn1 45256228 QFEJDGMNMINHQA-UHFFFAOYSA-N 419.533 3.590 0 1 HHAF COc1ccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)c4ccccc4)C[C@H]32)cc1 95893542 IINGEUWWZKSYRS-SDHSZQHLSA-N 414.505 3.685 0 1 HHAF O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cn1ccc2ncnc-2c1 100062156 PITPGNOUSHKACV-UHFFFAOYSA-N 413.481 3.520 0 1 HHAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nc3ccccc3nc2N2CCCCC2)C1 140127601 VRBOVMQPSVFTBK-UHFFFAOYSA-N 412.497 3.736 0 1 HHAF CN1O[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 140414930 RZSSUBGVLTWUMX-NRFANRHFSA-N 412.331 3.915 0 1 HHAF COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 169338801 KLDVBUSQZRJHLA-VSKRKVRLSA-N 410.543 3.775 0 1 HHAF COc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C(F)(F)F)c1 169348927 IILHKJMOCRTZPE-UHFFFAOYSA-N 403.360 3.849 0 1 HHAF CSc1cccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(F)cc2)c1 200514254 KUHNCTZRZIHMNZ-UHFFFAOYSA-N 400.479 3.639 0 1 HHAF O=C(c1ccc(F)cc1)N1CCC([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 203788298 SBGDHJQZWJCENG-GMAHTHKFSA-N 405.473 3.895 0 1 HHAF COc1cc(C(=O)O[C@@H]2CC[C@](C)(O)CCCC(C)(C)[C@@H](O)/C=C/2C)ccc1O 238779937 LIYLUZKKDZZNBL-ZBNNMGRFSA-N 406.519 3.975 0 1 HHAF C[C@H](Nc1cc(N[C@H]2CC[C@H](NS(C)(=O)=O)CC2)ncn1)c1ccc(Cl)cc1 254129267 DMOWCFXVNPALTB-JQFCIGGWSA-N 423.970 3.575 0 1 HHAF Cc1nccc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 586949991 KYWWDABYYIHNGH-UHFFFAOYSA-N 422.466 3.505 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587182418 ODLQRZORTXCIFA-YFKPBYRVSA-N 424.139 3.838 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O 587441062 CXKZPADALJMIGI-CPJSRVTESA-N 407.510 3.757 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(OC)cc1C(=O)OC)CC2=O 587483161 VNZURUSLBKKAEC-LJQANCHMSA-N 400.427 3.855 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(NCCCC(=O)O)nc1C)CC2=O 587494873 NYLMFSLLFLOSLF-NRFANRHFSA-N 418.515 4.267 0 1 HHAF COC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587797980 WTQKUHDZGHTOFM-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF Cc1nn(CCc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(C)c1Cl 587923698 FQCJLUIEFSBKHA-UHFFFAOYSA-N 410.952 3.891 0 1 HHAF COC(=O)C[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963166129 CKJDTQHRLAAASA-GTNSWQLSSA-N 407.816 3.762 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@]12C(=O)N(CC)C(=O)c1cc(OC)cc(OC)c12 963234026 DXROIDGJUIMYEC-CPJLOUKISA-N 422.525 3.606 0 1 HHAF NCc1cc(OCc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)ncn1 1857542194 VJNYVSSMSDKFEA-UHFFFAOYSA-N 402.376 3.785 0 1 HHAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(Cc2ccccc2)nn1 1857628867 QFNCOTSAJAHHBG-UHFFFAOYSA-N 419.432 3.963 0 1 HHAF CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 4106145 VCYSXXQZUNYZFZ-MUUNZHRXSA-N 415.902 3.939 0 3 HHAF COc1cc(NC(=O)N2CCNC2=O)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 13682488 XPGYDCMJGFYEPE-UHFFFAOYSA-N 422.363 3.523 0 3 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NCc2cccc(Cl)c2)O3)cc1 61906290 QCUDCOUBORYRHZ-OAQYLSRUSA-N 421.884 3.980 0 3 HHAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 777193 VPOHVVIQPXQIJF-CVEARBPZSA-N 402.491 3.690 0 1 HHAF Cc1cccc(N)c1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1 13747172 LTXYSPUSSOCRAR-UHFFFAOYSA-N 423.586 3.519 0 1 HHAF CCCCS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(Br)cc2)c1 26747664 LCUACQPMBPZKPN-UHFFFAOYSA-N 412.305 3.981 0 1 HHAF COc1cccc(-c2cn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c23)c1 27985507 MVJIDURGJSOZKO-HNNXBMFYSA-N 409.490 3.871 0 1 HHAF Cc1ccc(NCC(=O)Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 28523092 SWTSVJJELSHLQP-NHCUHLMSSA-N 403.482 3.810 0 1 HHAF CN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1 40862428 VRQZVFGHYLFLHY-UHFFFAOYSA-N 407.495 3.566 0 1 HHAF O[C@H](CNC[C@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72182056 NIFSLPNXPNHSGO-IINYFYTJSA-N 407.358 3.505 0 1 HHAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCc1ccccn1 82070267 ROPHCEFWVCQTGE-IBGZPJMESA-N 409.511 3.745 0 1 HHAF CC(C)(C)c1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)cc1 95601724 MKBMZBOLAUNZQT-UHFFFAOYSA-N 423.586 3.992 0 1 HHAF C[C@@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2cccc3[nH]ccc23)n1 96174408 OOEYPUFPMHMEAP-ONSXPEOJSA-N 411.531 3.516 0 1 HHAF O=C(c1ccccc1-c1cccnc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 116822546 ALBSLXVPHZRNMG-PMACEKPBSA-N 421.504 3.900 0 1 HHAF O=c1c2ccccc2[nH]n1CCCCN1CCN(c2nsc3ccccc23)CC1 135771261 HQQJMZBOHALAQF-UHFFFAOYSA-N 407.543 3.542 0 1 HHAF O=C(Nc1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1)N1Cc2ccccc2C1 166353461 NRTOKRLWCYRPAS-UHFFFAOYSA-N 415.497 3.525 0 1 HHAF CCOc1c(F)cccc1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166847132 HZISCKGOUMXFHH-DLBZAZTESA-N 413.367 3.958 0 1 HHAF NC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl 169330403 NRYVQEKXEUGDJJ-UHFFFAOYSA-N 424.892 3.553 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(F)c2ccc(F)c(Cl)c2)CC1 222846534 RDQCRJVEGHEZBZ-UHFFFAOYSA-N 401.866 3.984 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)o1 586923526 OVNKKOPMZLQTTE-UHFFFAOYSA-N 417.878 3.506 0 1 HHAF O=S(=O)(/C=C/c1nc2ccc(I)cc2[nH]1)c1ccccc1 586923982 CPTAIMUBUSCKHZ-CMDGGOBGSA-N 410.236 3.612 0 1 HHAF CCCc1nc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)nn1-c1ccccc1F 587156876 VCCYZBHNSWDGIG-UHFFFAOYSA-N 409.421 3.697 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 587183226 WYHMACIXSNOROW-JTQLQIEISA-N 409.275 3.974 0 1 HHAF CCc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358213 WEXOMXVYWIIBOV-XUZZJYLKSA-N 408.425 3.659 0 1 HHAF CN1CCN(CCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587512923 GNYOENKHQWKZBL-VWLOTQADSA-N 420.553 3.898 0 1 HHAF COc1ccc2[nH]c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587587807 PXJIHRLSDRRYCQ-NFBKMPQASA-N 415.401 3.945 0 1 HHAF Cc1nc2ccccn2c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657937 GOSUQAOMYDIJPL-UHFFFAOYSA-N 416.387 3.986 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCn3c(O)nc4cccc2c43)N1 587777927 JWWUSJPLKLMCJZ-GIGQVBGESA-N 402.267 3.825 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800829 ZSTPXYXIBKRGSN-WYRIXSBYSA-N 414.315 3.886 0 1 HHAF CCOC(=O)C[C@@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834235 KIPGRWXGCHYESY-BLVKFPJESA-N 414.315 3.698 0 1 HHAF CC(C)[C@]1(Cc2cccnc2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963135538 DVKXUEZLQZHPNN-IIBYNOLFSA-N 417.531 3.879 0 1 HHAF COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)NCCc3ccc(O)cc32)cc1 963343439 WCIRXEHPZJDCKL-HXUWFJFHSA-N 402.281 3.935 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCCNC1 1772569992 CSYZLTDYRMWRDD-UHFFFAOYSA-N 402.376 3.834 0 1 HHAF COCc1nnc(N2CC[C@H](c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 1857565251 RSCIYXYYCBHILF-ZDUSSCGKSA-N 417.872 3.604 0 1 HHAF COc1ccc(-n2c(O)nc3cnc(-c4cc(OC)c(OC)c(OC)c4)cc32)cc1O 1857618902 KSEDGFOFWNBSKD-UHFFFAOYSA-N 423.425 3.533 0 1 HHAF O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1 1857770480 QSZSCUZHHCRPOC-UHFFFAOYSA-N 406.482 3.531 0 1 HHAF COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 1857772588 INFPVXUUJVWMSN-UHFFFAOYSA-N 402.450 3.608 0 1 HHAF COc1ccc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc1OC 2356608781 HOCAAINDJYNCFZ-QQADDBDESA-N 402.443 3.502 0 1 HHAF O=C1NCCCC[C@H]1N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 28957780 FDDILKPZEYSVMW-HXUWFJFHSA-N 420.962 3.632 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@H]2CC[C@H](O)Cc2ccc(F)cc2)cc1 36160081 ZSPAEDJDADQTKU-YADHBBJMSA-N 413.489 3.831 0 1 HHAF CCn1cc(-c2nc3ccccc3o2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 43015676 OJBLPFWWEZIAQK-ZDUSSCGKSA-N 424.451 3.906 0 1 HHAF CCCCCCOc1cc(NC(=O)Cc2ccncc2)ccc1N(C)S(C)(=O)=O 45300512 NJXIGYGDIWVXOF-UHFFFAOYSA-N 419.547 3.618 0 1 HHAF CC1(OC(=O)N2CCC([C@@H](F)CNC(=O)Cc3c(F)ccc(F)c3F)CC2)CC1 66075500 QCIKTRZVLCLGFT-INIZCTEOSA-N 416.415 3.502 0 1 HHAF COc1cccc2c1CCC[C@H]2C(=O)NCCCN1CCN(C2CCCCC2)CC1 72106401 DKVWFNAOHAVLPF-HSZRJFAPSA-N 413.606 3.572 0 1 HHAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82083081 RKFDRFXVWVLOOD-KRWDZBQOSA-N 423.513 3.936 0 1 HHAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179739 XYZCTGNVERSWJX-UHFFFAOYSA-N 422.508 3.510 0 1 HHAF Cn1cc(-c2ccc(CN3C(=O)[C@](O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 95593071 QIXIXNQUZZMYMI-IBGZPJMESA-N 405.351 3.523 0 1 HHAF CCc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1 95605788 ONIXTHIEXURSCP-UHFFFAOYSA-N 410.543 3.979 0 1 HHAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@H](C(C)C)C1 101282689 JOCGWOQFKXCOGL-YLLXKFEGSA-N 413.650 3.991 0 1 HHAF COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2[C@H](C)OC=C(OC(C)=O)[C@H]2C[C@@H]31 111963068 UBSFKTQYTDJRIZ-ZQINRCPSSA-N 412.486 3.544 0 1 HHAF COc1ccc(C)cc1S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1 142619699 CLXXCEACXDYWSU-WUXMJOGZSA-N 408.479 3.883 0 1 HHAF Cc1cccc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)n1 144074311 BJBBWOSJWQHASB-UHFFFAOYSA-N 402.487 3.922 0 1 HHAF Cn1cc(-c2cc(N3CCOCC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144892434 XQDFXIFXLHOYSF-NRFANRHFSA-N 415.415 3.702 0 1 HHAF O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CNc1nc(O)c[nH]1 169729104 HNCWIOYENQAMJD-AWEZNQCLSA-N 401.463 3.619 0 1 HHAF CCCC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218978778 YTBKJXYUEGDBEA-VWSBDBBTSA-N 412.574 3.918 0 1 HHAF C/C=C1/C([C@@]2(C)CCCC(C)(C)C2)=C[C@H](O)[C@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@H]12 238766929 MHDUGZBUXWJHKW-QLVKYEFQSA-N 406.519 3.881 0 1 HHAF CCOc1ccccc1NC(=O)[C@H]1CC[C@H](N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1 254134181 MGVPZHOWOLPGSS-UEZNDTEMSA-N 410.514 3.614 0 1 HHAF COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)cc1 299884853 UOPHIWXSSCEKEE-YEZOGFKJSA-N 413.470 3.797 0 1 HHAF N[C@H](N=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586921185 FJQHDHVIEHDUPY-HXUWFJFHSA-N 406.467 3.928 0 1 HHAF Cc1nc(-c2c[nH]cc2-c2nc3cc(I)cnc3[nH]2)cs1 587021782 QQBKWSXWGZXAMR-UHFFFAOYSA-N 407.240 3.990 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428914 NGMGDEFJKRWYNV-NJNPRVFISA-N 409.482 3.947 0 1 HHAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444623 WNNJTLQCNHFATG-KHCICDEESA-N 410.466 3.936 0 1 HHAF C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583090 QCXQBUOCGZSNRK-FSXUSMNQSA-N 409.482 3.613 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 587768311 ULZLZTZRTBTCIL-FKIZINRSSA-N 418.310 3.916 0 1 HHAF CCN(CC)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653859690 RFLJWILYPCMXQN-UHFFFAOYSA-N 418.497 3.858 0 1 HHAF COc1ccc([C@@]2(COC(C)=O)NC3(CC3)Cc3ccc(Br)cc32)cc1 961328673 WGVGMPPEKDWXJX-OAQYLSRUSA-N 416.315 3.943 0 1 HHAF O[C@H](N1CCC[C@@H](c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)C1)C(F)(F)F 1772582555 TYIKZIHQTXJZEF-KUHUBIRLSA-N 403.408 3.594 0 1 HHAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccnnc3)cc2NC(=N)C1 1772585794 WBBCGFHJLCLCQW-UHFFFAOYSA-N 406.490 3.554 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@H](CO)[C@]2(C)CC[C@@H](C)CCO 2356459076 WWZZSZPMEOPTGE-KLMWXEEXSA-N 424.578 3.943 0 1 HHAF CC(=O)O[C@@H]1C[C@]2(C)c3cc4occc4c(C)c3CC[C@@]2(O)C(C)(C)[C@H]1OC(C)=O 2356571295 NSAZUFNXZWNEIG-CBJLPSGESA-N 414.498 3.970 0 1 HHAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2[C@H]1C 2356644071 RHCASEZXSITHLI-BIKFJBPRSA-N 414.590 3.609 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1[C@@H](OC)O2)C=CC(C)(C)O4 2356657657 PJHSNMSFYNPHLP-OIBXWCBGSA-N 424.449 3.980 0 1 HHAF O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 201447004 SKGISJGDCLEEPY-UHFFFAOYSA-N 414.552 3.618 0 3 HHAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)[C@H]1c1c[nH]c2ccccc12 2469330 CKRQPQXSVGLEIO-XZOQPEGZSA-N 410.477 3.790 0 1 HHAF Cn1c(O)c(C(=O)C[C@H](Nc2ccc(N)cc2)c2ccco2)c(=O)c2ccccc21 3846477 HFSGFKFTQZQSTI-KRWDZBQOSA-N 403.438 3.846 0 1 HHAF biogenic CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 4208257 PAFFHBYBAWLLAK-TZIWHRDSSA-N 414.889 3.689 0 1 HHAF COc1cccc(Cc2nc3cccnc3n2C2CCN(C(=O)CCC(C)=O)CC2)c1 12181884 CDUXCDPTAMINIU-UHFFFAOYSA-N 420.513 3.563 0 1 HHAF COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1Cl 13588358 QYJCTALTSLGJBB-UHFFFAOYSA-N 413.833 3.937 0 1 HHAF C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@@H](C)N1 13758935 JGTCAZYZKSEFEF-HUUCEWRRSA-N 423.467 3.940 0 1 HHAF O=C(NC[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1)[C@H]1CCCO1 14994186 VGPKOPQQPSUYOP-PKOBYXMFSA-N 407.388 3.851 0 1 HHAF CN(CC[C@H]1CN(C)C(=S)c2cc(Br)cnc2O1)Cc1ccccc1 26279180 UTUVOWIBJLCVSP-INIZCTEOSA-N 420.376 3.735 0 1 HHAF COc1ccccc1Cn1nc(C(F)(F)F)c(Cc2ccc3c(c2)OCO3)c1O 28765970 FMWIWHPECNIDSN-UHFFFAOYSA-N 406.360 3.984 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(C[C@@H]2OC(=O)NC2=O)cc1 29328908 PSCLQGCRYFVMHJ-FQEVSTJZSA-N 404.422 3.643 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1COC[C@@H]1C2 29544572 ISBPUPYMEACKEZ-GIMINZRKSA-N 400.471 3.680 0 1 HHAF OC[C@@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1 40379379 XDAYSURCVISUSU-OAHLLOKOSA-N 415.295 3.729 0 1 HHAF C[C@@H]1[C@@H](c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1(=O)=O 43009742 ITYMMRKSCDTSQX-VGSWGCGISA-N 401.528 3.847 0 1 HHAF CCN(c1ccc(C(=O)O)cn1)c1ccc2c(C(F)(F)F)cc(=O)n(CC)c2n1 58590611 XRRDAXRUPAOLDW-UHFFFAOYSA-N 406.364 3.686 0 1 HHAF CCCCOCCOC(=O)[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C 82070341 OXLSRJGTINRZGN-IBGZPJMESA-N 402.491 3.764 0 1 HHAF COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)OC1=S 84619712 AGIUPEBSBDBNGH-DHDCSXOGSA-N 406.257 3.853 0 1 HHAF CN(c1ccc([C@](O)(c2cccn2C)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84633374 CMCSFQCSYSBEPF-IBGZPJMESA-N 424.444 3.648 0 1 HHAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F)c1ccco1 96177295 QIBAMLNBYLUZGF-UHFFFAOYSA-N 414.400 3.921 0 1 HHAF CS(=O)(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638947 UOYWHWUASVGPSC-HDICACEKSA-N 407.576 3.836 0 1 HHAF COc1cc(OC)cc(N2CCN(C(=O)c3onc(C)c3-c3ccccc3)CC2)c1 103291277 YJFRFRFYCXMKHI-UHFFFAOYSA-N 407.470 3.630 0 1 HHAF CCCNC(=O)N1CCc2c(F)ccc(-c3ccc(CC(=O)O)cc3OCC)c2C1 144106319 GNFCSTDBOLQJMR-UHFFFAOYSA-N 414.477 3.996 0 1 HHAF CC[C@H](C)C(=O)N1CCN(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167393409 HKEIHZCBKGGTHI-SFHVURJKSA-N 406.530 3.929 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CN[C@H](c5ccccc5)C4)ncc23)ccn1 219757263 ZUSODJUDTVJWJZ-MJGOQNOKSA-N 413.485 3.553 0 1 HHAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2cccnc21 253664667 FFCOSPGDDQANBL-FVQHAEBGSA-N 402.420 3.744 0 1 HHAF COc1cc(S(=O)(=O)c2ccc(OC(F)F)cc2)cc2c3c(oc12)CCNC3 473194447 HCBFPBGMFNETGI-UHFFFAOYSA-N 409.410 3.521 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 587043322 PGYFIWDAKVGBKZ-INIZCTEOSA-N 415.446 3.687 0 1 HHAF COC(=O)c1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349399 UPVQKMFSZNQIAI-AVRDEDQJSA-N 411.385 3.889 0 1 HHAF COc1ccc2c([C@@]3(C(O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2c1 587524962 NZSLWAMUYAUWOG-RUZDIDTESA-N 404.462 3.899 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCn1c(O)nc3cccc2c31 587585269 CXWLNODEGUWNEQ-WZONZLPQSA-N 400.390 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587730556 JKIOPHYWNCOZKF-HOGDKLEQSA-N 422.225 3.866 0 1 HHAF COc1ccc(OC)c([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962667482 OCJGWULZRRAGHJ-DNQXCXABSA-N 406.482 3.614 0 1 HHAF CCn1cc(C(=O)NC(=S)Nc2ccc(Cl)cc2)c(-c2ccccc2)nc1=O 1772575914 FZWQDFVNFNQZGX-UHFFFAOYSA-N 412.902 3.710 0 1 HHAF O=C(Nc1ccc2nc(O)[nH]c2c1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772641397 DNKHTVPHEJRITD-UHFFFAOYSA-N 409.409 3.940 0 1 HHAF CCCCCCN1C=N[C@@H]2C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)=N[C@@H]21 1857579621 XYDJQJXDLKLRSN-BJKOFHAPSA-N 418.541 3.955 0 1 HHAF CCc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)sc2nc(C)cc(C)c12 1857600847 DRLVIOZDENMLQS-UHFFFAOYSA-N 402.541 3.809 0 1 HHAF CCc1c(O)n(-c2ccccc2)c(SCC(=O)Nc2ccc(Cl)cc2)nc1=O 104105604 BITZZENWMUAQPL-UHFFFAOYSA-N 415.902 3.885 0 3 HHAF COc1ccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H]3[C@@H](C(=O)N2CC4)[C@H](C)ON3C)cc1 199737951 ZYUZAYBGPOMXLG-SVWBVHECSA-N 417.509 3.923 0 3 HHAF Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)N1CCN(CCc2ccccc2)CC1 203467012 VIGCNAIFGLCYGK-UHFFFAOYSA-N 416.447 3.769 0 3 HHAF CN1C(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(Cl)ccc32)c2ccccc21 206045508 KJYWTMQSMSQPTF-ZJSXRUAMSA-N 418.880 3.835 0 3 HHAF COc1ccc(CN2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c(OC)c1OC 12306117 KLWZSVBVKAOHBY-KRWDZBQOSA-N 400.475 3.518 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 13642597 ZJFUMBPXVUQPSJ-DRABBMOASA-N 419.690 3.684 0 1 HHAF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C)[C@@H]3OC(=O)C(C)C 13889786 RKOUZOCIIHIJRE-MYODQAERSA-N 406.434 3.933 0 1 HHAF biogenic Cc1cc(C)n(-c2cc(NC(=O)CC3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1 14975554 BKVXJUVJYOXVBD-UHFFFAOYSA-N 408.506 3.518 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@]12C 26394219 ZMAIFLOHRXCDQS-MJPSLFSXSA-N 418.622 3.959 0 1 HHAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](O)c2ccc(C)o2)CC1 27894552 JRFAKXUBONSYTK-HXUWFJFHSA-N 400.519 3.546 0 1 HHAF CCC[C@@H](CC1(NC(=O)c2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O 40810658 CMRYKCCZBRKSFY-IBGZPJMESA-N 410.514 3.830 0 1 HHAF CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1 72109967 NIFJWDNQUGBNEW-UHFFFAOYSA-N 411.456 3.651 0 1 HHAF COc1cc(CCNc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1 82068533 XKWKZVMNQKDFLI-UHFFFAOYSA-N 408.458 3.899 0 1 HHAF COCCn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21 82179474 UPXTUQCGOKCUGV-UHFFFAOYSA-N 407.449 3.639 0 1 HHAF Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)Nc1ccccc1N1CCNCC1 84727505 PFWHVRQPBHYFNH-UHFFFAOYSA-N 420.538 3.715 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877548 OAKICYHVDOOXEH-SXSPYAJSSA-N 403.457 3.878 0 1 HHAF CCN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)ncc1C 101297061 UFXZBRYRWRBNOI-WKILWMFISA-N 403.477 3.672 0 1 HHAF Cc1cn2cc(-c3cc4ccc(N5CCN[C@@H](C(C)C)C5)cc4oc3=O)nc2c(C)n1 146686811 NOBPWJXRQUMZJA-HXUWFJFHSA-N 417.513 3.554 0 1 HHAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F 216260204 KRYUSOZLPYCSEV-YUELXQCFSA-N 407.507 3.740 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CN(C)C)c4ccccc4)ncc23)ccn1 261186951 XSQMERQMENMOIR-FQEVSTJZSA-N 415.501 3.753 0 1 HHAF COc1ccc2nc(CC/C(C)=C/Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2n1 586916045 VATIOJOZWRPVMA-LFYBBSHMSA-N 423.469 3.781 0 1 HHAF COC(=O)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 586983927 ASNSSPKQKFJTAU-QGZVFWFLSA-N 415.291 3.692 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)cnc4[nH]3)cc12 587039585 ZCCQKOBCKJQSQD-QMMMGPOBSA-N 408.409 3.724 0 1 HHAF COc1cncc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 587140462 KXYVDJBGQFILQD-UHFFFAOYSA-N 416.409 3.713 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239618 MDVRRKKXAAMEMZ-BUTRMIIQSA-N 411.506 3.994 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@H]2CCCO[C@H]2C1(C)C 587239953 PKKAMNPPZXBJAA-DGIMUSOZSA-N 415.490 3.847 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccc(Br)n1)O2 587371456 FNQKVMWMICGKTD-QULHZPMSSA-N 402.292 3.671 0 1 HHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)=O 587378236 SUHJHIIHSLSCRF-INIZCTEOSA-N 420.259 3.980 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587451348 XJEQGIUJTOVQPW-JXHRLWIKSA-N 412.507 3.906 0 1 HHAF C/C(=C\[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587573266 SHTCSQFURYCYKA-FAXZBDKVSA-N 403.438 3.505 0 1 HHAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 587788895 AJAKTSSUTGEPAD-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587796562 ULIJBERELFZYNG-GIGQVBGESA-N 424.266 3.684 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587830971 GPJKQJSKYPCOIE-APTWFODQSA-N 408.267 3.504 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 587839552 HPKSOWDXPNDKMF-BTDLBPIBSA-N 413.312 3.583 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@@](c2ccc(F)cc2)(c2cnccn2)N1)C(F)(F)F 962731219 QHKSBZJTWXLYMK-XLIONFOSSA-N 401.363 3.553 0 1 HHAF Cc1ccnc([C@]2(c3cccc(F)c3F)NCCc3ccc(C(=O)N(C)C)cc32)c1 962928758 SOTWQFIXEFTVPZ-XMMPIXPASA-N 407.464 3.808 0 1 HHAF Cc1ccc2cc([C@H]3CC(c4ccc(Cl)cc4)=NN3C(N)=S)c3nnnn3c2c1 1857543090 DIVQJMIDMVIRSZ-GOSISDBHSA-N 421.917 3.634 0 1 HHAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccccc5)cc4F)c12)CCC3 1857609204 CQYDVAQQGVDXTH-UHFFFAOYSA-N 401.445 3.642 0 1 HHAF COc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccc(F)cc4)n3)CC2)cc1 1857637396 SBNVUFMJQUOIKN-UHFFFAOYSA-N 421.476 3.767 0 1 HHAF O=C1[C@H]2CCC[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 1857771110 ZSDLULFCEDZUGK-HDICACEKSA-N 411.571 3.589 0 1 HHAF O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1ccccc1Br 15937362 STKHIWBKSVPQDL-KRWDZBQOSA-N 416.381 3.950 0 3 HHAF CC(C)(C)N1Cc2nnn(CC3CCCCC3)c2-c2cc(F)ccc2S1(=O)=O 96019909 DITJKFKCMFBSIG-UHFFFAOYSA-N 406.527 3.967 0 3 HHAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 4051728 PHSODVWRZHEGNG-LADGPHEKSA-N 416.477 3.982 0 1 HHAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N23)cc1 6427033 KXDQYSDVTQUGET-QPPBQGQZSA-N 401.510 3.817 0 1 HHAF biogenic Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)NCc1ccccc1F 6917268 NETLGLXOBKZFDP-UHFFFAOYSA-N 401.441 3.822 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 13543197 LOGQGKJLNOCUQM-RGMYPYHHSA-N 404.547 3.865 0 1 HHAF CC1(C)NC(=O)N(C[C@H](O)COc2cccc(-c3cccc4ccccc34)c2)C1=O 66074718 HKBNALSQJQALDD-SFHVURJKSA-N 404.466 3.577 0 1 HHAF COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC 66139257 UCFWNBABFJASNS-HXUWFJFHSA-N 414.521 3.756 0 1 HHAF CC(C)c1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2 95563699 LSPWEIAKXAXDEV-UHFFFAOYSA-N 414.527 3.669 0 1 HHAF CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)nc23)CC1 113203112 XRWPJVNMVYEAEJ-UHFFFAOYSA-N 419.916 3.887 0 1 HHAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1 114078613 NAGACJGTMZTIRV-UHFFFAOYSA-N 420.904 3.657 0 1 HHAF O=S1(=O)CCC(CNc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1 144957165 ALXXDOVOSUOIHB-UHFFFAOYSA-N 424.448 3.652 0 1 HHAF Cc1ncc(OC[C@@]2(c3ccccc3F)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1 168427737 QZLGYLUBGLYARP-HTAPYJJXSA-N 410.424 3.742 0 1 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 169346018 TWGHXVKHVUGVCO-NVFGHRHXSA-N 410.466 3.648 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(C)cc2)c1 169706991 GUAAMRMWVQNUFX-IBGZPJMESA-N 402.498 3.875 0 1 HHAF O=C(COc1ccccc1C1CCCCC1)NC[C@@H](O)CN1CCc2ccccc2C1 218908869 QLWOOPGULQKKFQ-HSZRJFAPSA-N 422.569 3.649 0 1 HHAF OC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCOCC1 586912465 DMHKGXIAUOYLGP-UHFFFAOYSA-N 403.276 3.902 0 1 HHAF CCOC(=O)Cc1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2c1 586970527 LVJBKALFVYFEKS-UHFFFAOYSA-N 411.527 3.891 0 1 HHAF CC1=C(c2ccc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)NNC(=O)C1 587075605 FNMFVQXNGAJHPP-GOSISDBHSA-N 407.861 3.589 0 1 HHAF COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1C 587178687 IKIYBULFAMLDHF-UHFFFAOYSA-N 409.227 3.742 0 1 HHAF Cc1nc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2cc1Br 587194445 TXVMKEWVIFRVLM-GFCCVEGCSA-N 412.332 3.546 0 1 HHAF CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)CC(=O)c2cc(C)cc(N)c2O1 587390371 MNNOHWWTGXXZBY-DEOSSOPVSA-N 419.481 3.804 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)N4CCCC4)c4ccccc14)[C@@H](C2)C3=O 587445354 VVKDITRSDDRDKH-AVRWGWEMSA-N 416.477 3.761 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587448076 BKILZCFLRBADAK-MUEKUWCCSA-N 414.413 3.904 0 1 HHAF COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525550 MTAVZXQJEJGYPZ-XUZZJYLKSA-N 407.466 3.576 0 1 HHAF CS(=O)(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587530627 GCPHVXHNJAQLBY-QHCPKHFHSA-N 409.507 3.952 0 1 HHAF CC(C)(C)OC(=O)N1CC(F)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587554950 JXXNTJIUPGZGAR-QFBILLFUSA-N 415.417 3.681 0 1 HHAF COC[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617420 PLRYGHOJGWHSEE-NFBKMPQASA-N 414.454 3.672 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@H](N)C(=O)O)(c2ccccc2)N1 587750850 VETJRVCQDFADOD-ADYAMRHXSA-N 421.310 3.558 0 1 HHAF CC[C@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)c(F)c1 1772656495 DUYVXTUTYVRNHA-LBPRGKRZSA-N 412.343 3.739 0 1 HHAF COc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CC2)ccn1 1857655781 OTONOFNXSMNLHM-UHFFFAOYSA-N 402.498 3.952 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2nccs2)CC[C@]1(C)O 2356289635 PUVIKKRNTKUTEP-NSHGMRRFSA-N 407.605 3.824 0 1 HHAF O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCC(CO)CC1 11873983 XPBCZHSRIKNCHI-UHFFFAOYSA-N 422.569 3.617 0 3 HHAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1cccs1 6783202 VVLGBOUDDHICNC-UXHICEINSA-N 407.495 3.709 0 1 HHAF CC(=O)SC[C@@H](C(=O)N[C@@H](C)C(=O)OCc1ccccc1)[C@H](C)c1ccccc1 26021027 YRNMSDWCGDCPGU-LLGFUMIMSA-N 413.539 3.934 0 1 HHAF COCn1cc([C@@](O)(C(=O)O)C(F)(F)F)c2cc(OCc3ccccc3)ccc21 28961324 DDGNIKYWFZWTPX-LJQANCHMSA-N 409.360 3.659 0 1 HHAF COc1ccc(/C=C/COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 40414264 FOUFDOHLTQIFJK-RXUIJTJXSA-N 414.454 3.999 0 1 HHAF CCOC(=O)CN1C(=O)S/C(=C/c2coc3ccc(C(C)C)cc3c2=O)C1=O 40917005 HUUOXRZOZQEOCC-LZYBPNLTSA-N 401.440 3.516 0 1 HHAF COc1cccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)c1 49525740 WNJWFQHRCYRXOC-DEOSSOPVSA-N 405.494 3.980 0 1 HHAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccc(CO)cc4)cn23)cc1 82082822 KRDJHLSQCFSHCB-UHFFFAOYSA-N 402.498 3.886 0 1 HHAF COc1cc2nc(NCCCCO)nc(NCCCc3ccccc3)c2cc1OC 82131479 ZTQWLYLKHFNVNH-UHFFFAOYSA-N 410.518 3.876 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N3C(=O)OC[C@H]3C)c2)nc1 113542105 IAXRBXSRJDRHLE-HZPDHXFCSA-N 417.469 3.683 0 1 HHAF CNC(=O)c1cccc(Nc2ccnc(N3CC(COc4ccc(Cl)cc4)C3)n2)c1 118582622 FTBGGHMXPYLQNM-UHFFFAOYSA-N 423.904 3.748 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)NCC2CCOCC2)n2c1CCCC2)c1ccccc1 146077837 FBLGOLOXSDEQDN-OAQYLSRUSA-N 423.557 3.862 0 1 HHAF Cc1nc([C@](C)(NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C2CC2)no1 146226275 XHRIANDCIHPOGF-GOSISDBHSA-N 410.396 3.647 0 1 HHAF CC(=O)OC[C@@]1(C)[C@H](OC(C)=O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 147047490 QADJOKWXGQGSAA-PAXOCGFSSA-N 416.514 3.990 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713517 SZDSCLOAPYDVBU-UDGKEDSASA-N 402.579 3.513 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCC[C@@H](N)C1)C(=O)N2 219396358 RKPWYUDCZHEUBU-DVECYGJZSA-N 402.498 3.577 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cncc(Br)c3[nH]2)C(F)(F)C1 587133100 XCERKDWMKBCVKH-MRVPVSSYSA-N 403.227 3.690 0 1 HHAF COc1ccc(C(=O)c2ccccc2-c2nc3c(S)nc(S)nc3[nH]2)cc1F 587144863 QAKIEXIQPCORLW-UHFFFAOYSA-N 412.471 3.976 0 1 HHAF COc1cncc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587171049 XRJOZNOPMOOIIU-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587428917 NGMGDEFJKRWYNV-SVMVAKDDSA-N 409.482 3.947 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 587566425 MFCWRZSHJBJEMC-UHFFFAOYSA-N 417.259 3.936 0 1 HHAF Cn1ccnc1[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575643 GEBAEYXPSKYVMH-RDPSFJRHSA-N 413.433 3.613 0 1 HHAF CCOc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc(OCC)c1OCC 587652070 KOGAAHPUHQKKKC-UHFFFAOYSA-N 416.861 3.935 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnn2)N1 587759660 LTCHBGRNFRGOKM-HXPMCKFVSA-N 401.283 3.967 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(CC(=O)C(F)(F)Br)N(C)[C@H](C)C2 962622238 BJBFTTNJYMIOKF-HWPZZCPQSA-N 406.267 3.742 0 1 HHAF O=C(O)c1ccc2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3c1cnc1ccccc31)c1ccccc1-2 963228266 OHIUDVYTQROKFJ-OZXSUGGESA-N 422.440 3.804 0 1 HHAF COc1ccc(-c2ccc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cn2)cc1 963238414 YUJWELBHPVWAAQ-DNQXCXABSA-N 411.461 3.994 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2c(F)cccc2F)NCCc2c(OC)ccc(Cl)c21 963259753 UHIQNPVEJBZSLH-NRFANRHFSA-N 423.843 3.538 0 1 HHAF Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)oc1Cl 1857570241 MVGKTBRSCGMQRY-CZUORRHYSA-N 419.312 3.862 0 1 HHAF O=C(c1cnc(-c2nc(O)c3sccc3n2)s1)N1CCC(C(F)(F)F)CC1 1857586702 JONUERWOUYIOAT-UHFFFAOYSA-N 414.434 3.935 0 1 HHAF CC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356698660 JALMRWUWAKQOMD-VKGYTVAMSA-N 402.487 3.798 0 1 HHAF O=C(Nc1cccc(Cl)c1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 205232968 CGLAHXMYWIRWPW-UHFFFAOYSA-N 414.824 3.583 0 3 HHAF CC1(C)C[C@H]2C[C@](C)(CN2[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 4613840 VHWDVCXSEPHTLK-YRNRMSPPSA-N 405.336 3.982 0 1 HHAF COc1cc(C(=O)N2CCC(n3c(=O)n(C)c4cc(Cl)ccc43)CC2)ccc1C 28955451 XONZGVSWLXPKTM-UHFFFAOYSA-N 413.905 3.788 0 1 HHAF COc1cc2nc(-c3ccc(CP(=O)(OC)OC)cc3)[nH]c(=O)c2cc1OC 29222773 KZMOWNVMHPBJBR-UHFFFAOYSA-N 404.359 3.593 0 1 HHAF CCCCOC(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 29337921 NYAMOGPJIJIVPB-WIYYLYMNSA-N 403.526 3.610 0 1 HHAF C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccccc1N 82083064 UHDDDDVMWYPXPY-HNNXBMFYSA-N 414.465 3.512 0 1 HHAF CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(O)cc2)cs1 82195032 HIBPBNKSWAXFSF-BPAFIMBUSA-N 417.575 3.788 0 1 HHAF Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2ccccc2n1CC(=O)O 95559814 RHEGVACEQYWWGE-UHFFFAOYSA-N 423.419 3.508 0 1 HHAF Cc1ccccc1CN1CCC(N2CC[C@H](n3c(=O)[nH]c4ccccc43)[C@H](F)C2)CC1 95597812 UVNVDXZOLDWJKU-GGAORHGYSA-N 422.548 3.888 0 1 HHAF O=C(NC1CC1)c1cnc(N2CCN(Cc3c(F)cccc3Cl)CC2)c(Cl)c1 95616672 BECPLBAJCCRZQM-UHFFFAOYSA-N 423.319 3.742 0 1 HHAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(-c3ccncc3)cc2)c1 114079069 KCGGXHJBWUPJKT-UHFFFAOYSA-N 412.497 3.517 0 1 HHAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4cccc(Cl)c4)C[C@@H]32)n1 116827036 VGVHYZBJMGKIJW-WMZOPIPTSA-N 423.904 3.753 0 1 HHAF CCOC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccccc1 261111385 IBKDZZSCEZBRIZ-GOSISDBHSA-N 406.446 3.821 0 1 HHAF CCS(=O)(=O)c1ccccc1-c1nc2cccc(I)c2[nH]1 586922596 QFONUJGFCLJRBW-UHFFFAOYSA-N 412.252 3.628 0 1 HHAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(Br)c3[nH]2)cc1 586925648 IHBXYHLWEGJLFH-UHFFFAOYSA-N 407.289 3.544 0 1 HHAF COc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2n1 586955784 VHVZOMYQPIUXRL-UHFFFAOYSA-N 414.531 3.658 0 1 HHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586960814 CMUIPRVORMZJCV-YFKPBYRVSA-N 406.340 3.543 0 1 HHAF CN(C)CCOc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587145349 XBWVDTJADSNPGB-MRXNPFEDSA-N 421.314 3.647 0 1 HHAF COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422856 VKXGGXWLVYLISK-FOIQADDNSA-N 406.356 3.920 0 1 HHAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O 587597171 UDMSSCAVRVSTHR-CVDCTZTESA-N 422.389 3.567 0 1 HHAF Cc1cc(C)cc(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c1 587653379 UTBSCTPSJFOISN-UHFFFAOYSA-N 408.845 3.588 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OCC)cc2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962575023 VHTBWCSVPCNRBW-GYCJOSAFSA-N 413.514 3.786 0 1 HHAF COc1ccc(OC)c([S@@](=O)c2ccccc2[C@H]2NCCc3c(C)ccnc32)c1 963071331 QTFPUKLZWDDBED-BTYSJIOQSA-N 408.523 3.809 0 1 HHAF O=C(Cn1c[n+](Cc2c3c(cc4c2OCC4)OCC3)c2ccccc21)c1ccccc1 1772627315 FVHXYTCKTOJROZ-UHFFFAOYSA-N 411.481 3.730 0 1 HHAF COC(=O)C1=C(C(C)(C)C)NC(=S)N[C@H]1/C=C/c1ccc(Br)cc1 1857560262 AVKIDZOLDDSHNM-RSPDNQDQSA-N 409.349 3.782 0 1 HHAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(F)c2)c(Cl)[nH]1 1857574806 FLUCTJIXNVBQKY-HNNXBMFYSA-N 405.861 3.811 0 1 HHAF CCO[C@@H]1O[C@@H]([C@@H]2c3cc(OC)c(OC)cc3CCN2C)c2ccc3c(c21)OCO3 1857591816 QXMOFFSZFFXAID-QZNHQXDQSA-N 413.470 3.768 0 1 HHAF COc1ccc([C@H](O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857750001 JPAHCFYRZQKVCN-OAQYLSRUSA-N 415.530 3.983 0 1 HHAF CC(C)Oc1cc(N2CC(F)(F)OC(F)(F)C2)nc2c(-c3cc[nH]n3)nccc12 1911581549 IHYHSWHZIKRMOF-UHFFFAOYSA-N 411.359 3.829 0 1 HHAF C[C@H](O)C[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 2356668170 GWJFZUCGTPBCOE-UMSGYPCISA-N 404.459 3.505 0 1 HHAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1 61907362 PSZXHDHGNAFUNJ-MRXNPFEDSA-N 417.512 3.904 0 3 HHAF C[C@@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccccc1 4845672 LOAFSWHUOUKUPQ-JUDBMODMSA-N 416.521 3.506 0 1 HHAF COc1cccc(-n2ccc3cnc(Nc4cccc(N5CCN(C)CC5)c4)nc32)c1 14954905 NQJJXCBEOJRICB-UHFFFAOYSA-N 414.513 3.925 0 1 HHAF COc1ccc(NCCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)C2CCCCC2)cc1 14971308 VEUMPOBSVCGSCK-QHCPKHFHSA-N 423.557 3.911 0 1 HHAF C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941324 KIXDFGLGWRVXHJ-QGZVFWFLSA-N 415.940 3.965 0 1 HHAF O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1 26164430 SSFJXVZYSFYALH-UHFFFAOYSA-N 403.954 3.562 0 1 HHAF Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc2N)cc1 26391363 NKUDPFGFVOJSFH-UHFFFAOYSA-N 419.510 3.813 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC(=O)O)[C@@H]21 26672054 QLJODMDSTUBWDW-QZQRBPSQSA-N 422.562 3.716 0 1 HHAF in-vitro CCCCc1ncc(C(=O)O)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1 27861450 OYTARQUBYJLZTG-UHFFFAOYSA-N 402.458 3.615 0 1 HHAF COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3SC)cn2)cn1 43066973 FENMUNUGOFAACO-UHFFFAOYSA-N 406.471 3.951 0 1 HHAF O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cc2ccc(O)cc2oc1=O 49054932 XMGWWAWVDFIVEK-UHFFFAOYSA-N 421.430 3.530 0 1 HHAF COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC1CCN(C)CC1 58608695 NETOVWYVKRXXDG-UHFFFAOYSA-N 409.939 3.656 0 1 HHAF c1cncc(CCNc2ncccc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 66122839 XGSOGVFDAVJHQG-UHFFFAOYSA-N 416.441 3.696 0 1 HHAF C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CC3CCCCC3)c(=O)n21 82211073 LOBWXTLMSDWVLA-HNNXBMFYSA-N 408.502 3.935 0 1 HHAF CC(C)(C)NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922840 DQNANWLTXZFQDH-UHFFFAOYSA-N 406.511 3.874 0 1 HHAF O=C(CCc1cccc2ccccc12)c1ccc(OC[C@H](O)CN2CCOCC2)cc1 96941817 HDIDFSZUKXZZDU-HSZRJFAPSA-N 419.521 3.727 0 1 HHAF COCCOc1ccn2c(-c3ccc4cccc(OC[C@H]5CCNC5)c4n3)cnc2c1 103240633 IQACVVFBPSXQID-KRWDZBQOSA-N 418.497 3.563 0 1 HHAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)CCNC4=O)nc2ccccc21 117689503 QDJIKBFFRCVUSA-CQSZACIVSA-N 401.470 3.958 0 1 HHAF C[C@@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(C)c3)nc2n1 169704090 XQLYKWRLTPXWLG-INIZCTEOSA-N 415.501 3.958 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)CC4CC4)n3)C2)cc1 169709870 AOECVZNPOYLIIF-HTAPYJJXSA-N 408.546 3.783 0 1 HHAF CN(c1ccc(-c2csc(C(C)(C)C(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O 509073972 FMTACNULLVTIMX-UHFFFAOYSA-N 410.561 3.825 0 1 HHAF Cc1cc(Br)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 586953755 YYDJSUTXKALZAI-UHFFFAOYSA-N 400.342 3.632 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cnc(N)nc3-c3ccccc3Cl)nc2cc1OC 587061290 UQLOBFGPZAFIOU-UHFFFAOYSA-N 409.833 3.718 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(F)c(N)c3)[nH]c2c1 587140531 MHBCXOBSMHUPCG-UHFFFAOYSA-N 412.446 3.761 0 1 HHAF COCOc1ccccc1[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436660 TUWDHZKZCWUOPH-HOYKHHGWSA-N 403.434 3.764 0 1 HHAF CC(=O)OC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571352 NFAHWQHGGXKOEG-NZQKXSOJSA-N 408.381 3.952 0 1 HHAF O=C(NC1CC1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587581946 XXRVUORAIGJWSE-NZQKXSOJSA-N 401.418 3.987 0 1 HHAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748940 BXNBDUAWRFIFCL-JEOXALJRSA-N 409.299 3.901 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(c1ccccc1)N(C)[C@@H]2C 587772090 UZQVTCUMNSSKKE-VFGMZZLHSA-N 418.310 3.600 0 1 HHAF CCCn1nc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)c2ccccc2c1=O 587872050 HUYFLGXDZNHHTO-UHFFFAOYSA-N 420.444 3.896 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(C(C(=O)O)=CN(C)c3c(C)cc(C)cc31)N(C)[C@H](C)C2 962635610 MABQBSBNUVMNFY-PUAOIOHZSA-N 422.525 3.859 0 1 HHAF O=CN(C=O)C[C@]1(C2CCC(F)(F)CC2)NCCc2c(Cl)cc(Cl)cc21 963111825 SJRRMHNWJNVPSJ-GOSISDBHSA-N 405.272 3.775 0 1 HHAF CCCOc1ccc([C@]2(CCC(=O)OCC)NCCc3c(C(=O)O)cccc32)cc1 963126702 WYDGFZGKLBXIBG-DEOSSOPVSA-N 411.498 3.906 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)O[C@]34CC(=O)O[C@]3(C[C@H]2C[C@@H]1O)C(C)=CC(=O)O4 2356596859 QXBTVKIEYQTEJB-SFIYLJHVSA-N 416.514 3.740 0 1 HHAF COC[C@@H]1[C@H](COC)Cc2ccc(OC)c(OC)c2[C@H]1c1ccc(OC)c(OC)c1 2356669337 XXPBZAWBQMPGDH-SVMVAKDDSA-N 416.514 3.934 0 1 HHAF O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1349278 DXXSUSCZSVCFHF-UHFFFAOYSA-N 421.494 3.599 0 3 HHAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc4c(c2)OCO4)O3)c1 61895967 XIOXBDZBGIXBFR-NRFANRHFSA-N 402.406 3.622 0 3 HHAF CCOCCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1cccc(C(F)(F)F)c1 61896740 CLHWHOLBZZBJOR-UHFFFAOYSA-N 421.419 3.772 0 3 HHAF CNc1nc2cnc(Nc3ccccn3)cc2n1-c1cc(OC)c(OC)c(OC)c1 82083130 PVTXOTSYKACACC-UHFFFAOYSA-N 406.446 3.627 0 3 HHAF Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 12455206 FPMYYRBOOJSXAS-PKTZIBPZSA-N 424.541 3.689 0 1 HHAF O=C(O)C[C@](O)(CSCCCCCNc1ccc(Cl)cc1Cl)C(=O)O 13758197 BCWRTWBLBWGDPZ-INIZCTEOSA-N 410.319 3.599 0 1 HHAF COCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 26500293 UNOSAKGFJYYEOC-UHFFFAOYSA-N 403.523 3.735 0 1 HHAF CNc1nccc(-c2ccc(C(=O)NC[C@@H](N)c3ccc(Cl)cc3Cl)s2)n1 36144137 ATAKSXFUGITJML-CYBMUJFWSA-N 422.341 3.983 0 1 HHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC[C@@H](F)C3)ns2)n1 66112268 WJCNNHJXSAZOGM-CQSZACIVSA-N 412.498 3.562 0 1 HHAF CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC(N4CCCC4)CC3)ncc2C)C1 82204076 POHNNCLJEVNWOD-ZJOUEHCJSA-N 401.599 3.855 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 142343291 MSRACBIPRQYUFE-HNNXBMFYSA-N 406.461 3.747 0 1 HHAF Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1 143540733 DBGVUJWUDNGOBJ-QFIPXVFZSA-N 401.474 3.615 0 1 HHAF O=S(=O)(c1ccc(-n2cccn2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147491412 FXCNYJXDLLOOOC-UHFFFAOYSA-N 413.886 3.750 0 1 HHAF CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C)cc1 198919669 VFVQWGWIUKNUPH-UHFFFAOYSA-N 401.513 3.635 0 1 HHAF C[C@@H]1c2nnn(-c3cnccn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 218464596 QRERLGWHEDLPCZ-SNVBAGLBSA-N 420.782 3.917 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N1CCC(C)CC1)[C@@H](C2)C3=O 587437623 KVPIJFHYYBQYSK-UQBPGWFLSA-N 421.493 3.821 0 1 HHAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444622 WNNJTLQCNHFATG-IECBHUPTSA-N 410.466 3.936 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cc(C(=O)O)n1C)CC2=O 587456772 BEIKGQDCAJCGRC-OAHLLOKOSA-N 408.248 3.850 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1O[C@H](C)C(=O)O)CC2=O 587481705 HECMSIAGCYSNOA-CWTRNNRKSA-N 400.427 3.912 0 1 HHAF Cn1ncc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540295 MQNXYBQCJOQUQJ-KSSFIOAISA-N 401.216 3.591 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 587735171 WVHOAOPLPQAFFL-HUTHGQBESA-N 416.287 3.754 0 1 HHAF CCOC(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587772902 PONJJGADVMNZAY-CWTRNNRKSA-N 407.283 3.714 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)([C@H]2CCCNC2)N1 587799818 YWJLLYRUKCWUNP-AFBRZQFHSA-N 404.327 3.761 0 1 HHAF C[C@H](CC(=O)O)c1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)n1 1857644604 FWKHYTJUMWATOO-SNVBAGLBSA-N 407.348 3.601 0 1 HHAF CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cnc(SC)nc2)CC1 12756021 CVLRQJYHVVASQZ-UHFFFAOYSA-N 415.559 3.813 0 3 HHAF CCCCCC[C@H](C)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)OC[C@H]3[C@@]2(C)OC1=O 14696166 UMDDQZKJZQPILY-IBRHDDFTSA-N 402.487 3.808 0 1 HHAF biogenic Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1C[C@@H](O)[C@H](O)C1 26271740 JHZHLPIBCPQAJX-WOJBJXKFSA-N 402.454 3.530 0 1 HHAF CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1cccc(O)c1)C1CCNCC1 28572292 XYUMIRJLHXWAGA-JOCHJYFZSA-N 413.468 3.915 0 1 HHAF Cc1ccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)cc1 29322328 MPWQKOQJCWHXTK-BVAFDOMYSA-N 406.563 3.852 0 1 HHAF COc1cc(OC)cc(N(C)c2ccc(N)c(N3CCN(c4ccccn4)CC3)c2)c1 52550705 PXGUFCZFQCXGBG-UHFFFAOYSA-N 419.529 3.776 0 1 HHAF CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1 58548331 NHMHDVJUUYELRQ-UHFFFAOYSA-N 401.474 3.868 0 1 HHAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCc1ccc2c(c1)OCO2 64256511 PPLVJQSSAYHWFJ-HXUWFJFHSA-N 422.481 3.510 0 1 HHAF CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 82068779 KZTKZMQLFSRNPC-VGOFRKELSA-N 408.506 3.839 0 1 HHAF CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C)c2)s1 96272369 HVZMOWIGUYIFDP-AWEZNQCLSA-N 401.536 3.553 0 1 HHAF CC1(C)c2nc(C3CC3)ncc2CN1[C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1 96284074 ZCITVLSDPCXRRL-AYOQOUSVSA-N 400.473 3.540 0 1 HHAF O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C12C[C@@H]3CC1C[C@H](C3)C2 100840412 LTNBBDRKQZBSKL-MDECGGOYSA-N 401.982 3.795 0 1 HHAF O=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C12C[C@@H]3CC1C[C@H](C3)C2 101133895 ZAURIJJSGXVGBD-RBEBHGIFSA-N 421.507 3.770 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3cnccc23)CC1 101472722 OMZNVUXNVRRKLO-MPMFOTPSSA-N 417.509 3.763 0 1 HHAF CCC1(CC)Oc2nc(NC(=O)[C@@H](C)NC)ccc2N(c2ccc(Cl)cc2)C1=O 144453753 IFHUXCXCPXUUHR-CYBMUJFWSA-N 416.909 3.897 0 1 HHAF O=C1c2cccc3nc(N4CCCCC4)cc(c23)C(=O)N1CCCN1CCCCC1 169351732 LPGSOWDVNVOQRL-UHFFFAOYSA-N 406.530 3.697 0 1 HHAF C[C@@H]1Cc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O[C@@H]1c1ccccc1 169710762 CMQFOJVBXXCIIC-VLIAUNLRSA-N 410.495 3.970 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713515 SZDSCLOAPYDVBU-JGUAADJYSA-N 402.579 3.513 0 1 HHAF COc1cc(OC)cc(N(C[C@H](C)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204170804 RELGFRXCVJYWMA-HNNXBMFYSA-N 419.485 3.566 0 1 HHAF C/C=C\c1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 238770269 DCPVFFYMNRUMSC-BVIIXDKSSA-N 404.459 3.961 0 1 HHAF CCN(c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1)C(C)C 261154286 PPELXPLCQMGKKN-LAUBAEHRSA-N 411.550 3.566 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(C(=N)N)cc3[nH]2)cc1 586948471 ISZQKYCTBQPPTP-UHFFFAOYSA-N 405.483 3.623 0 1 HHAF N[C@@H](N=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000088 FMJSUULWAZGMEZ-YDZHWAMISA-N 415.247 3.991 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 587180597 HXLAGIJPWVIRIY-CLAHSXSESA-N 424.246 3.726 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(OC(F)(F)F)c2[nH]1 587194443 TXLILMLSAJPMIQ-GFCCVEGCSA-N 402.417 3.979 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(OCC4OCCO4)cc1)(C1CCC1)[C@@H](C2)C3=O 587455756 QHGNNYSHGFJIHL-NBGIEHNGSA-N 422.477 3.890 0 1 HHAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587569691 GYDIHEFMSVHCSS-WOJBJXKFSA-N 405.406 3.649 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccccc3c2=O)N1 587746783 NZRCVUWUVMCSRF-XYZCENFISA-N 403.251 3.900 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587749384 PBNVQUOJNHCHSD-OVWNDWIMSA-N 409.299 3.985 0 1 HHAF COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587773938 SLIRYCQBQRCNEG-WLRWDXFRSA-N 423.282 3.634 0 1 HHAF CCOc1ncc(Nc2cc(NCCC3CCOCC3)nc3ccnn23)cc1F 653915614 DHQOWUWOAYJPPB-UHFFFAOYSA-N 400.458 3.634 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(=O)c3ccccc3[nH]2)N1 963180360 PWNAMPAFSZJTCQ-KDOFPFPSSA-N 422.790 3.889 0 1 HHAF O=C(CC1CC1)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 1857544122 SUYHBFDOKXJCSC-UHFFFAOYSA-N 410.499 3.873 0 1 HHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncn3)cc2NCCCCN)c1 1857610113 PUWMKOYQLBAFNL-QGZVFWFLSA-N 419.529 3.794 0 1 HHAF CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)CCSc2ccccc2Cl)cc1 1857760472 WLRYCHCFQZJCFX-ZDUSSCGKSA-N 419.934 3.924 0 1 HHAF CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 95598898 MDWNKCZQBFHGRQ-JOCHJYFZSA-N 422.552 3.865 0 3 HHAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055902 DSBLOZMBPHVCER-MMCAFHBRSA-N 400.906 3.955 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 4546366 DDNRBBWLNDEZIK-DPBXZBPSSA-N 400.563 3.876 0 1 HHAF COc1ccc(C(=O)O[C@@H]2C=C(C)C(=O)C[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)cc1OC 15052113 CMIQPGGRXJWPOO-AWAHEQQVSA-N 416.514 3.952 0 1 HHAF biogenic O=C1N[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1 26574486 ODXMEYPZMXTXEP-AWEZNQCLSA-N 415.696 3.558 0 1 HHAF COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccccc2)ccc1O 26743379 JQFAZOKQAAIIAK-IBGZPJMESA-N 413.514 3.508 0 1 HHAF CCCC[C@@](C)(OC)[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 29485667 GGDWDKDPRJFMHD-XHHUQPDXSA-N 412.567 3.579 0 1 HHAF O=C(c1ccccc1)[C@H]1CN(CCCN2CCCCC2)CC[C@]1(O)c1ccccc1 39223504 HJMGHMRVGGXVHM-RSXGOPAZSA-N 406.570 3.955 0 1 HHAF COc1cc2nncc(-c3cnc(N4CCC(O)(C5CC5)CC4)c(C)c3)c2cc1OC 43203425 KNRZYEZDOHOQNW-UHFFFAOYSA-N 420.513 3.759 0 1 HHAF CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 49013797 UUECBSKEZOTDMO-UHFFFAOYSA-N 418.563 3.689 0 1 HHAF CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O 82070198 IOYMUOGZYBAROU-LBPRGKRZSA-N 423.313 3.619 0 1 HHAF COc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)C[C@H](O)c1cc(OC)c(OC)cc1-2 84604644 HTEYDMOVAVRCBZ-CVEARBPZSA-N 411.376 3.536 0 1 HHAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(OC)c(Cl)cc2c1=O 95552720 IZWWYJFXMGSDMQ-UHFFFAOYSA-N 401.802 3.763 0 1 HHAF CCCO/C(O)=C1/C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OCC 103634029 UEVAKHKWQYCJCQ-RIBQPWQFSA-N 422.283 3.726 0 1 HHAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104005698 ZYPUMPCGYVCRIZ-QVKFZJNVSA-N 411.454 3.946 0 1 HHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC4CCNCC4)cc3)oc2c1 139332731 OFVVERXDYJEPNE-HNNXBMFYSA-N 418.497 3.876 0 1 HHAF C=CC(=O)N1CC(Oc2cc3c(Nc4cccc(Cl)c4)ncnc3cc2OC)C1 141627327 UBDZSHCYKRUUKT-UHFFFAOYSA-N 410.861 3.811 0 1 HHAF COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@@]21N=C(N)N(C(C)C)C1=O 141842805 LTMUEZYTIQZCGM-WQMGSUCASA-N 413.562 3.614 0 1 HHAF C/C=C/c1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 203701706 DCPVFFYMNRUMSC-GYHBZHIHSA-N 404.459 3.961 0 1 HHAF Cc1cc(Nc2nccc(-c3cn(C4CC4)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 205651019 DHOBQNLYZGNIOE-UHFFFAOYSA-N 401.474 3.910 0 1 HHAF O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCc2c(Cl)cccc2C1 299857307 MTNANRCVFALBNE-OAQYLSRUSA-N 412.917 3.685 0 1 HHAF COc1cc(NC(=O)CC(=O)CCCOc2cccc(Br)c2)ccn1 299868480 RMFLSZWDTKUFRI-UHFFFAOYSA-N 407.264 3.610 0 1 HHAF Cc1cc(Cl)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 586942945 RTAZMQUZDWTKKS-UHFFFAOYSA-N 420.741 3.827 0 1 HHAF COC(=O)c1cc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2cc1OC 587014767 YNSLXKNNHAXAQB-UHFFFAOYSA-N 418.475 3.506 0 1 HHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1cccc(Cl)c1 587071550 NZLKLTQIWXYPKX-LLVKDONJSA-N 423.304 3.832 0 1 HHAF COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422597 FHKWJXCGGIOYAI-GIGQVBGESA-N 411.212 3.957 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C4CCN(CC4)[C@H]1Cc1ccccc1OC)[C@@H](C2)C3=O 587437135 DJVCOAYXPTWZLN-JTJYXVOQSA-N 405.494 3.527 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O 587444185 NUDYPDTYVYTDGU-CPJSRVTESA-N 421.493 3.749 0 1 HHAF COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587500628 MOPCWUFPANPPKK-PKTZIBPZSA-N 412.869 3.540 0 1 HHAF CC(C)(C)OC(=O)N1CC([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587581387 HHLGLRJXFUQMPX-WZONZLPQSA-N 411.454 3.979 0 1 HHAF COc1cc(N)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587751857 ZHJFLONPOMOACD-DGIBIBHMSA-N 409.299 3.985 0 1 HHAF C=CN1CC[C@@H]([C@@]2(c3cc(OC)cc(OC)c3)NCCc3cc(Cl)ccc32)C1=O 963391659 WFEAPSWMIOERCT-GGAORHGYSA-N 412.917 3.739 0 1 HHAF CC1(CO)CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772622129 MCYNAILAOQRICR-UHFFFAOYSA-N 417.387 3.895 0 1 HHAF COc1ccc(-c2nc3cnccc3n2-c2cc(OC)c(OC)c(OC)c2)cc1O 1857560040 NHFLLQOBSSALSZ-UHFFFAOYSA-N 407.426 3.828 0 1 HHAF COc1ccc2c(c1)c(C1CCNCC1)cn2S(=O)(=O)c1ccc2cccnc2c1 1857568974 DMCXPCVKSQTQAE-UHFFFAOYSA-N 421.522 3.902 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC=C[C@@](C)(O)CC[C@@H](O)C(C)(C)O 2356305870 NZEJTWMPBBOFLP-ZJSXRUAMSA-N 416.514 3.727 0 1 HHAF CC=Cc1cc(OC)c(O[C@@H](CO)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356335840 DUJNSKUXRWKFJS-QGZVFWFLSA-N 418.486 3.745 0 1 HHAF COC1=C(OC)[C@H](OC)[C@@H]2C(=C1)[C@H]1O[C@@H](c3cc4c(c(OC)c32)OCO4)[C@@H](C)[C@@H]1C 2356450625 CFKXMCHMUWMKDV-VBOYLAJYSA-N 416.470 3.693 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@@H]4C=CCCCCN4[C@H]21)C3 2356653257 HRIGHPKJBOCXKN-IYMLOVEFSA-N 412.618 3.661 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 4050853 OXKSGFIKLJEWLD-UXYIHQQYSA-N 410.514 3.700 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 4051724 PHSODVWRZHEGNG-VWNXMTODSA-N 416.477 3.982 0 1 HHAF c1ccc(-c2n[nH]c(Nc3ccc4c(c3)OCCO4)n2)c(NCc2ccncc2)c1 66104901 HYHCMTNMOUMQOD-UHFFFAOYSA-N 400.442 3.994 0 1 HHAF COCCN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 95604402 MPMKSKFOWRGWNB-QFIPXVFZSA-N 413.905 3.567 0 1 HHAF O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95794810 LNSPIUBOGIZHGZ-RTBURBONSA-N 410.480 3.560 0 1 HHAF O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO 95873261 MJXRCPXBIJRDBA-DSITVLBTSA-N 419.569 3.690 0 1 HHAF CC(C)[C@H](O)Nc1nc(Nc2cccc(-c3cncnc3)c2)c2ncn(C(C)C)c2n1 103185696 ZSSHCAVAAPDLII-NRFANRHFSA-N 418.505 3.994 0 1 HHAF CN1C2=N[C@H]3C=CC(Br)=C[C@H]3C2=C(NCCCN)c2cc(Cl)ccc21 103186528 NFOMQZYFCYFMCN-HIFRSBDPSA-N 419.754 3.685 0 1 HHAF COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc(C)cc2)c1 103191267 SERRJWGOWXMSIH-SFHVURJKSA-N 421.316 3.685 0 1 HHAF CCN(c1ccc(-c2csc(Cc3ncc(Cl)n3C)n2)cc1)S(C)(=O)=O 141297887 ALWRASWCLZPQBF-UHFFFAOYSA-N 410.952 3.574 0 1 HHAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CN(C)C)c2c1C 169708354 GRRNIUGAMFBMOF-LLVKDONJSA-N 418.494 3.998 0 1 HHAF COC(=O)[C@]1(Cc2ccc3c(c2)C=CC(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1 205967726 XYGSNCPRLVTNHL-XMMPIXPASA-N 422.433 3.557 0 1 HHAF COc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(C)C2=O)cc(OC)c1OC 299820110 FTSMXFSZALKZTL-UHFFFAOYSA-N 403.434 3.775 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586886184 DXDRRJKGKSGCHK-YWZLYKJASA-N 401.532 3.739 0 1 HHAF COC(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1OC 587024025 ZVNNOEUUKNOVKY-UHFFFAOYSA-N 404.448 3.829 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120840 HYTDBYNSTMWIOQ-UHFFFAOYSA-N 412.315 3.784 0 1 HHAF CCCc1nc(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)nn1-c1ccccc1F 587156294 SXNYMUFILJWTJO-UHFFFAOYSA-N 413.478 3.696 0 1 HHAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587158237 AWWMDVURQBBPGV-UHFFFAOYSA-N 411.458 3.616 0 1 HHAF CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513355 RUKHBAGTSVAGNG-XMMPIXPASA-N 415.530 3.775 0 1 HHAF COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591934 IFFKKEDTJCPNQY-RDPSFJRHSA-N 402.402 3.982 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)s1 587611422 INVQETVBRAUIRB-DENIHFKCSA-N 408.479 3.566 0 1 HHAF COc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660065 NAOFKSRMVRRUAF-UHFFFAOYSA-N 404.397 3.930 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cn2)N1 587682921 MFGYJKRTXJUZSM-WPPNPWJKSA-N 401.077 3.764 0 1 HHAF CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587793953 OJXBDHRIDICBOC-SUFBMKPHSA-N 402.304 3.553 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797568 MGYMXWLVAJSNLA-NSPYISDASA-N 414.315 3.886 0 1 HHAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587834675 MHZIILQYYDNKJD-APBUJDDRSA-N 408.267 3.992 0 1 HHAF CCn1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccc(C(=O)NC)cc21 1857596008 IFDXTIYPAGOIJX-UHFFFAOYSA-N 421.447 3.978 0 1 HHAF COc1ccc(-c2cc3c(=N[C@H](CC(N)=O)c4ccccc4)nc[nH]c3s2)cc1 1857629271 QFHLXELBUPNJNK-GOSISDBHSA-N 404.495 3.817 0 1 HHAF CCN(CC)CCNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1 1857762377 KSXZIQVIDPCSIU-UHFFFAOYSA-N 420.542 3.591 0 1 HHAF Fc1c(Cn2cnc(-c3cc(-c4cnn[nH]4)ccn3)c2)cccc1OC(F)(F)F 1857769484 NZTCCZUHIHSENS-UHFFFAOYSA-N 404.327 3.816 0 1 HHAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1[C@@H]1[C@H](O)OC(C)(C)[C@@H]1OC(C)=O 2356666400 LQFYRSWYFPDEHM-MDNUFGMLSA-N 424.449 3.611 0 1 HHAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 2356736823 SFOCGDDXGORYAU-NUUMNDKBSA-N 421.626 3.582 0 1 HHAF CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO 13657269 LHBMGWMCTCNCGO-ZWOKBUDYSA-N 413.436 3.733 0 3 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@H]1CN3CCC[C@@]3(O)C=C21 5839261 KKOZIXJFGMEJCY-NTKDMRAZSA-N 409.482 3.667 0 1 HHAF biogenic,in-vitro CCN(CC)C(=O)c1ccc([C@@H](c2ccc3ncccc3c2)N2CCNCC2)cc1 22939841 UMUKUSUULMFBGJ-DEOSSOPVSA-N 402.542 3.711 0 1 HHAF Cn1c(O)c(C(=O)C[C@@H](NCc2ccccn2)c2cccs2)c(=O)c2ccccc21 24717256 NNMARQGQBPGBEX-QGZVFWFLSA-N 419.506 3.805 0 1 HHAF biogenic Cc1csc(-c2cccc(CN3C(=O)c4c(c(O)c5nccnc5c4O)C3=O)c2)c1 28096997 ADHZJNQTZWIBND-UHFFFAOYSA-N 417.446 3.874 0 1 HHAF O=C1NC(=O)/C(=C/c2ccc(OCCn3c(C(=O)O)cc4ccccc43)cc2)S1 29397073 BJKRJRHFZMSTMF-WQRHYEAKSA-N 408.435 3.742 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@]1(O)c1cccc(F)c1)CC2 38147501 VTESATXDAMBSLY-ZEVJAHDQSA-N 422.544 3.952 0 1 HHAF COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCOc3ccccc3)n2)cc1 82195704 NKQYJXYMUGEXQZ-OAQYLSRUSA-N 423.538 3.983 0 1 HHAF Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2cc(F)c(Br)c(F)c2)n1 84672194 ATXOYMHOFWTUIB-UHFFFAOYSA-N 421.245 3.781 0 1 HHAF CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 95576235 VLUZXILOPLVBGT-SFHVURJKSA-N 422.978 3.895 0 1 HHAF CN(C)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnn3)c1)=N2 101147658 RLLJZZRODXMVCW-UHFFFAOYSA-N 414.391 3.815 0 1 HHAF COC(=O)/C=C/CSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 103172708 HVIAOXAHSJYMKX-AATRIKPKSA-N 423.491 3.693 0 1 HHAF CSc1nc(Br)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 113137671 NKIRJIJEJNGXHL-UHFFFAOYSA-N 403.305 3.773 0 1 HHAF COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)c1 144236032 KALDKULRYBAWNI-UHFFFAOYSA-N 402.458 3.612 0 1 HHAF CNC(=O)c1cccc2[nH]c(-c3n[nH]c4cc(-c5ccc(O)cc5OC)ccc34)nc12 166922797 BHBRVTCNDMRQPD-UHFFFAOYSA-N 413.437 3.847 0 1 HHAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cncc(C(F)(F)F)c4)nn23)cc1 299838670 QTOZEENZCRWGPR-UHFFFAOYSA-N 418.400 3.881 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2cccc(O)c2)cc1 299860404 GPJAJRBERGQWNQ-GGAORHGYSA-N 419.506 3.568 0 1 HHAF COc1ccc2[nH]ccc(=NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2n1 473152120 LBEJUQWGEGOTNX-UHFFFAOYSA-N 424.932 3.607 0 1 HHAF O=C(c1c(F)cccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473180327 MPZMHAQVPOTVAG-ALKREAHSSA-N 422.435 3.889 0 1 HHAF O=C(O)c1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040560 HZMCIEPWSJZIDL-HUUCEWRRSA-N 418.316 3.970 0 1 HHAF CN(C)CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567878 AMAMYGZKAPJSMO-QPPBQGQZSA-N 405.450 3.907 0 1 HHAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585270 CYMCQYOLRBGCOY-DCLXLUIPSA-N 419.433 3.854 0 1 HHAF COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587715535 CUBGETCNNPPYAI-HUTHGQBESA-N 406.242 3.926 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 587744431 ZXDOSOMYDVOXEN-FKIZINRSSA-N 421.310 3.679 0 1 HHAF COc1ccc([C@]2(COC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587806314 HSGZEAQEZSVFBJ-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF COc1ccc(F)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1F 962703550 LYRXEQUCNMQMHY-MLGOLLRUSA-N 405.294 3.820 0 1 HHAF CCCCNC[C@]1(c2ccc(O)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962763455 KPCPUPLEUOPTOV-TZIWHRDSSA-N 406.448 3.671 0 1 HHAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962769535 SDGOBTFEGGAIGJ-HLLQZAQXSA-N 405.416 3.775 0 1 HHAF COc1ccc([C@H](Cc2ccccc2)C(=O)NCCCn2cncc2C)cc1OC 1857569576 PVWKESNJTIPTNF-NRFANRHFSA-N 407.514 3.742 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cc2)C1=O 1857768806 IRFMOEXGAIUWCO-UHFFFAOYSA-N 409.458 3.808 0 1 HHAF Cc1ccc2nc(C[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356309499 MBCZSRRXPKLVPI-RBUKOAKNSA-N 405.498 3.596 0 1 HHAF CC1=C[C@@H]2C=CC[C@H](C)[C@H](O)C=CCC(=O)O[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@H]1C 2356823134 GJGYPEJFZWTPPJ-YWNOTPMOSA-N 401.547 3.545 0 1 HHAF COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)c1 15941201 JWBIYAOBZDGAOQ-LJQANCHMSA-N 410.514 3.548 0 3 HHAF O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1O 13608793 GXAWEOGMNHTNSL-ONEGZZNKSA-N 420.340 3.807 0 1 HHAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCN(C)CC3)c2c1 27205956 JIMQZJLGGJBFSV-UHFFFAOYSA-N 418.328 3.683 0 1 HHAF CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccccc3)CC1=O)C2 28649125 MCFXKRSZAJMAOJ-SANMLTNESA-N 419.613 3.773 0 1 HHAF CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12 36487366 WKKSKFLPEORPIP-UHFFFAOYSA-N 408.824 3.983 0 1 HHAF CCN(CC)CCNC(=O)c1cc2c(I)cccc2s1 40977311 BPRHDCZOUZAGMK-UHFFFAOYSA-N 402.301 3.578 0 1 HHAF Cc1cccc(N2CCN(C(=O)COc3nsc4nc(C)cc(C)c34)C[C@H]2C)c1 59151282 XBCCLCLUAMDFPJ-QGZVFWFLSA-N 410.543 3.733 0 1 HHAF CCc1oc(=O)c(Cc2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)c(O)c1C 59776076 OOCUGTZJHIRSOO-IBGZPJMESA-N 422.433 3.925 0 1 HHAF biogenic Cc1cc(C)cc(C(=O)c2cc(Cl)ccc2OCCCn2ccc(=O)[nH]c2=O)c1 72127588 ASRCBSXZUKIXQH-UHFFFAOYSA-N 412.873 3.507 0 1 HHAF C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73224047 RTCONTPQCAAPGB-NSHDSACASA-N 418.412 3.636 0 1 HHAF O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95866545 SPHPVMDEMGUCIV-XZOQPEGZSA-N 408.517 3.671 0 1 HHAF O=C1C[C@H](c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 96938058 GXEBLAWAWRYNEE-LJQANCHMSA-N 418.324 3.616 0 1 HHAF NC(=O)c1cccc2c(NC[C@@H](N)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12 114347482 XFBWNPAWMQWXRS-CQSZACIVSA-N 409.799 3.513 0 1 HHAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@@H]3c3nc4ccncc4[nH]3)ccnc2N1 150320293 QTUSAODLDZOJAR-HBMCJLEFSA-N 411.421 3.672 0 1 HHAF C[C@H](CNC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 202690117 WIVHYBAXQLHYTH-MWTRTKDXSA-N 420.981 3.729 0 1 HHAF CC1(C)C[C@H]1C(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(=O)O 206935200 RMTCJZVBTRZXHG-SUMWQHHRSA-N 420.918 3.780 0 1 HHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1 224678637 TXAKRIXEQQYHFA-MRXNPFEDSA-N 408.502 3.517 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 255222945 KMZOVYXDQXJEON-KMPMEEGKSA-N 422.606 3.537 0 1 HHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)cc1 586938124 VBPBEUAECBMXBN-LLVKDONJSA-N 421.906 3.747 0 1 HHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)s1 587022894 DCRBRAFJCHHMCV-UHFFFAOYSA-N 415.519 3.866 0 1 HHAF COC(=O)c1cc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2cc1OC 587167409 MIYGQOFDZGIIJO-KRWDZBQOSA-N 412.421 3.866 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587193522 CLBKRVNRVJOJAC-CYBMUJFWSA-N 402.417 3.979 0 1 HHAF CCS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587204855 MORJNPBXRXTQCZ-INIZCTEOSA-N 409.552 3.838 0 1 HHAF Cn1c2c(ccc1=O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341136 VJBAWBBGNWRGSL-ISKFKSNPSA-N 405.425 3.821 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(F)ccc1OC)CC2=O 587469386 YZJKHMGLPXOGKD-QFIPXVFZSA-N 402.418 3.916 0 1 HHAF COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587577151 JFEFSZTZKKYSOU-OFNKIYASSA-N 407.422 3.869 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN2C(=O)COc3ccccc32)N1 587769458 NOGUHOLWJXRVNE-ZBEGNZNMSA-N 405.267 3.589 0 1 HHAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587933961 BRVWSLBXOYEEJY-UHFFFAOYSA-N 400.482 3.899 0 1 HHAF C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017663 DEXVRWPAZCXVMA-ITHTXLDVSA-N 415.534 3.542 0 1 HHAF CCOC(=O)CCOc1ccc([C@@]2(C)NCCc3cnc4c(OC)cccc4c32)cc1 963040363 WOSVSVYBAJYDJQ-RUZDIDTESA-N 420.509 3.985 0 1 HHAF C[C@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)NCCc2c(C(=O)O)cccc21 963126042 VPHDWFXZVLWRJM-LJQANCHMSA-N 408.376 3.905 0 1 HHAF COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@H](NCc1ccco1)C3 1772656736 UIEKAGBLUQVLQJ-INIZCTEOSA-N 421.522 3.755 0 1 HHAF Nc1c(C(=O)NCCc2ccc(C3CCNCC3)cc2)sc2nc(Cl)ccc12 1857598898 FMSYICBTEUANRV-UHFFFAOYSA-N 414.962 3.971 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 4050148 KCXUQGQAGCNPRK-BESBDSHLSA-N 408.498 3.597 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4076296 CLRATSVFOFTHTP-ONTIZHBOSA-N 424.884 3.745 0 1 HHAF O=C1c2ccccc2CN1C/C=C/CN1CCN(c2nsc3ccccc23)CC1 13745265 HDAOSJDKRACLFF-AATRIKPKSA-N 404.539 3.631 0 1 HHAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1cc(=O)c2ccccc2o1 28569283 FVCAEWCYJLYCAB-UHFFFAOYSA-N 416.521 3.893 0 1 HHAF Clc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1 38459942 JOFVJRWULICIKS-UHFFFAOYSA-N 401.850 3.831 0 1 HHAF CSc1ncc2c(n1)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 45284032 OKFDWUZDYAMRLJ-AWEZNQCLSA-N 413.518 3.678 0 1 HHAF Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2[C@@H]1CCOC1 63539186 SBWCIJOOABLPME-QGZVFWFLSA-N 402.454 3.927 0 1 HHAF O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCCO2 71340625 IHLYQXYXUNPCPO-QHCPKHFHSA-N 407.853 3.894 0 1 HHAF CCCCOCCOC(=O)[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C 82070340 OXLSRJGTINRZGN-LJQANCHMSA-N 402.491 3.764 0 1 HHAF COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CC[C@@H]2CCCN2C)ccc1O 82179888 LCLZIRMQZIHEQA-KRWDZBQOSA-N 422.533 3.514 0 1 HHAF O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(Cl)cc1 95898418 IVSFOQKCIBTUJX-GHTZIAJQSA-N 410.905 3.568 0 1 HHAF CC(=O)N1CCC(c2cccnc2OC2CCN(c3cc(Cl)ccn3)CC2)CC1 96169049 LUNJTEJQUFVGAS-UHFFFAOYSA-N 414.937 3.904 0 1 HHAF Nc1cc(F)c(-c2ccncc2F)nc1C(=O)Cc1cnccc1[C@@H]1CCC[C@H](N)C1 96177781 KCSOBKLCEKAAHC-HIFRSBDPSA-N 423.467 3.809 0 1 HHAF COc1cc(OCC(=O)O)ccc1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 103235008 CPBGSJVQZNCPOA-DNVCBOLYSA-N 415.511 3.754 0 1 HHAF Cc1ccccc1OCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167449801 JYCWMEMSOPEUJI-UHFFFAOYSA-N 403.482 3.565 0 1 HHAF CC(C)[C@H](CO)NCc1nc(N2CCc3ccc(C(F)(F)F)cc3C2)ccc1F 204407730 KBVHOCGNQJSCAL-IBGZPJMESA-N 411.443 3.909 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2noc(-c3cccc(F)c3C)n2)c1 218181044 XODWTMJEFQLUSV-IBGZPJMESA-N 418.432 3.660 0 1 HHAF CC(C)(C)OC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)OC(C)(C)C 238771490 WGCSCXRHTHRBMB-IBGZPJMESA-N 413.514 3.941 0 1 HHAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2ccccc2Cl)nn1 299857007 DMQMDFIWFBKURM-LZSLGQGWSA-N 409.829 3.962 0 1 HHAF N[C@H](Cc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)C(=O)O 586986615 DJYGAFAQMBNVPJ-QGZVFWFLSA-N 410.429 3.773 0 1 HHAF CCOC(=O)Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587029471 PIUDEEBBPLOBAD-UHFFFAOYSA-N 408.483 3.818 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1 587061798 ZAQMUJLBVXPXBZ-UHFFFAOYSA-N 413.890 3.716 0 1 HHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cnc(Cl)[nH]c-2n1 587166842 BVHMPMAZWQFLMG-UHFFFAOYSA-N 409.855 3.626 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C[C@H]1CCCO1 587197006 GFLOZVJERRZVTR-LLVKDONJSA-N 411.405 3.801 0 1 HHAF C[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)n1ccc(C(F)(F)F)n1 587275938 HJZFNDJNPRDNNY-SSDOTTSWSA-N 418.169 3.742 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(Br)c21 587457925 DKWZZJSVWMENHO-IBGZPJMESA-N 402.244 3.920 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccccc1F)CC2=O 587466462 LSBPVECTRVXSJQ-HSZRJFAPSA-N 414.429 3.867 0 1 HHAF CCOC(=O)CCC1(CCC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587524398 NSBLNPNPGPGGEA-UHFFFAOYSA-N 402.487 3.956 0 1 HHAF CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc21 587572924 XNKFOJGGQFNAIV-CVDCTZTESA-N 405.381 3.755 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587696427 KHQHDDWNFCPHRC-YYSFKGJASA-N 409.686 3.996 0 1 HHAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(=O)O 587790276 FHMWDHRCNYETDO-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@@H]1C[C@@H]1CO 653847608 CEYYRHMGNJNJEA-DGCLKSJQSA-N 412.408 3.909 0 1 HHAF CCn1nc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c2ccccc21 962665149 LBXUWNOTMHDZHO-XUZZJYLKSA-N 400.482 3.792 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693053 BZLXJJHCRIBYBM-CDMIOBSGSA-N 407.551 3.953 0 1 HHAF CCOC(=O)C[C@@]1(CCc2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219298 DOJPOSZFJLNZAV-RCZVLFRGSA-N 418.493 3.615 0 1 HHAF Clc1cccc(-c2nc(=NC(C3CC3)C3CC3)[nH]c(=NC(C3CC3)C3CC3)[nH]2)n1 1857648538 UYZPRJVBJGBQLI-UHFFFAOYSA-N 410.953 3.632 0 1 HHAF CCN(Cc1nc2c(=N)[nH]c3cc(-c4cc[nH]n4)ccc3c2n1C)C(=O)OC(C)(C)C 1857649365 DIWFOFHISQQHEB-UHFFFAOYSA-N 421.505 3.681 0 1 HHAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@H]1O 2356372048 WNFNEOMOCHBMGF-ARTZUXCXSA-N 420.638 3.989 0 1 HHAF CCN1C(NCC(C)C)=N[C@@H](CCc2ccccc2)[C@H](C(=O)NCC(C)C)[C@H]1C 15937420 GQMWRSWPJSKAOH-BAGYTPMASA-N 400.611 3.702 0 3 HHAF CS(=O)(=O)c1ccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)cc1 61905802 QMLIDPXUPLTORF-QGZVFWFLSA-N 403.529 3.507 0 3 HHAF COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C[C@@H]2CSC)cc1 61923620 BNRPUFKSHUBQRH-FOIQADDNSA-N 414.527 3.675 0 3 HHAF CN1c2ccccc2[C@@]2(CCN=C2N2CCOC2=O)[C@H]1c1cn(C)c2ccccc12 206037697 BTYGJQGVBZKQGW-QPPBQGQZSA-N 400.482 3.862 0 3 HHAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4049689 ITTVTGYJDJYVCJ-ADYITMSISA-N 408.498 3.597 0 1 HHAF CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCOC 4207028 WUKAYFMVPRWIEX-PZJWPPBQSA-N 416.905 3.983 0 1 HHAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@@H]1COCCCc1ccccc1 13448005 KHTHDTHIFBMWBR-RDGATRHJSA-N 424.585 3.909 0 1 HHAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 13560158 YSSOQZSAWAKBHU-UHFFFAOYSA-N 403.954 3.562 0 1 HHAF C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C 14209251 WHKQWNUTAKNCOO-MOPGFXCFSA-N 402.494 3.980 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 26391167 SZDSCLOAPYDVBU-DSSVKOOOSA-N 402.579 3.513 0 1 HHAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3cc(C)c(C)cc3O2)CC1 27893307 TVGFBKBQTIVUCP-LJQANCHMSA-N 407.514 3.732 0 1 HHAF CC(C)N1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 28523975 HWYXZCQCAXCQOR-SXPGVMETSA-N 402.494 3.571 0 1 HHAF O=C(O)C(=O)CC(=O)[C@]1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 32091322 HIBNJLSGEFHEKC-QHCPKHFHSA-N 413.901 3.778 0 1 HHAF COc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 35425758 ROSMHDOFGGPDTE-SFHVURJKSA-N 402.458 3.663 0 1 HHAF biogenic Cc1cc(N(C)S(C)(=O)=O)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)O 71332041 ZDNBNAYDTFTYCS-UHFFFAOYSA-N 417.405 3.540 0 1 HHAF CC(C)[C@H](N)COc1cncc(-c2ccc3[nH]cc(-c4ccc(N)nc4F)c3c2)n1 73141025 ILPOCGNEDSQHPM-QGZVFWFLSA-N 406.465 3.770 0 1 HHAF CC(=O)NCCn1c(-c2cccs2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188453 HVMYHZUCDHJNJH-HNNXBMFYSA-N 420.542 3.907 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95873215 LSOIOBVNZPBSCS-VXNXHJTFSA-N 408.517 3.654 0 1 HHAF O=C(c1ccc(F)cc1)c1ccc(F)cc1/C=C\OCCN1CCC[C@H](C(=O)O)C1 96923627 VOVWUPWYAVRKSJ-DVESRUBUSA-N 415.436 3.980 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(C3CCNCC3)c2)cc1 117319258 HMOKMGHGIPNLIX-UHFFFAOYSA-N 424.570 3.972 0 1 HHAF CNC(=O)C1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139039897 AHMOEJLZRSPLKJ-UHFFFAOYSA-N 403.486 3.975 0 1 HHAF O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2[nH]cnc2c1 139635121 CYHLTYJBLZQCBF-UHFFFAOYSA-N 417.874 3.815 0 1 HHAF CN1O[C@]2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 140415063 RZSSUBGVLTWUMX-OAQYLSRUSA-N 412.331 3.915 0 1 HHAF O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(=O)c1ccco1 169690234 GSKBPAKYWOLDOS-CSMYWGQOSA-N 422.264 3.717 0 1 HHAF CC(C)COc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707203 AGMWKWWOGJAFPK-SFHVURJKSA-N 418.497 3.649 0 1 HHAF O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 201537814 SVDHUHFDHGDCAW-UHFFFAOYSA-N 424.856 3.836 0 1 HHAF CCn1nc2c(c1C)[C@@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O 261168651 SLTHVRXQOKFPLI-HXUWFJFHSA-N 422.439 3.899 0 1 HHAF COc1cc(Nc2nc3n(n2)CCC(=O)N3c2ccccc2)ccc1-n1cnc(C)c1 299835447 WCIBDBXRAYHIOG-UHFFFAOYSA-N 415.457 3.593 0 1 HHAF CCN(CC)CCNC(=O)CCc1c(C)nn(-c2ccccc2Br)c1C 299851450 GMEXBBQACBDHOU-UHFFFAOYSA-N 421.383 3.642 0 1 HHAF COc1cc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2cn1 586930447 DRNHMJGISFWUTG-UHFFFAOYSA-N 408.483 3.767 0 1 HHAF O=c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)n1CCOc1ccccc1Cl 587064870 WMBLHJZUUYBCRU-UHFFFAOYSA-N 423.856 3.895 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)cc2[nH]1 587194469 UGUNMGYNWPFYQB-LBPRGKRZSA-N 415.307 3.982 0 1 HHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)c(F)c(F)c2[nH]1 587225759 STADJIWGZHMYRZ-VIFPVBQESA-N 410.218 3.687 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)O2 587376579 DONZEXPGWPLKRM-QFIPXVFZSA-N 409.873 3.761 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)O2 587391237 LUIWMGZNJYUIJF-OWJWWREXSA-N 404.466 3.910 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(Br)c1 587538175 CUCAPBJNJZFWQY-CRAIPNDOSA-N 414.211 3.958 0 1 HHAF CC(C)(C)OC(=O)N1CC(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587583146 QWYWCDTXEZYIFK-MOPGFXCFSA-N 411.454 3.979 0 1 HHAF CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 587648869 BWUOMBKGYKVYOM-UHFFFAOYSA-N 415.364 3.972 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCC[C@H](n3ccnc3)C2)N1 962926689 TXBRDSHQFQRCJJ-OZWPHOJSSA-N 419.481 3.991 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2coc3cc(Cl)ccc3c2=O)N1 963228965 PGIQPKNCTSTPOG-AZUAARDMSA-N 406.825 3.683 0 1 HHAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1sc(NCCCC(=O)O)nc1C 963260570 YLABKHFPHNLHMP-LJQANCHMSA-N 409.939 3.799 0 1 HHAF N[C@@H]1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772569846 MPNDJDVIENAULB-CQSZACIVSA-N 402.376 3.614 0 1 HHAF Cc1ccc2nc(-c3ccc(F)cc3)c(OCCNC(=O)c3ccc(C)nc3)n2c1 1772633792 BDJRYSJWHFWLCQ-UHFFFAOYSA-N 404.445 3.961 0 1 HHAF COC(=O)c1cc2nc(SCC(=O)Nc3ccc(Cl)cn3)[nH]c2cc1Cl 1857534440 QFGNIGSPSBIQKC-UHFFFAOYSA-N 411.270 3.782 0 1 HHAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCNCC4)c(F)c3)sc2n1 1857612711 YKMONAJQGXMGGG-UHFFFAOYSA-N 412.534 3.766 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3COC(=O)[C@@H]3[C@@H](OC(C)=O)C[C@H]12 2356800106 PRNANAGAWMAJKJ-BOCAVFGSSA-N 420.546 3.903 0 1 HHAF CC(=O)Nc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 12386817 BXNNUSBUCLWVEV-UHFFFAOYSA-N 421.541 3.924 0 3 HHAF O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F 104012860 VFWAQOYRNFFDDW-HOCLYGCPSA-N 424.810 3.728 0 3 HHAF CCOC(=O)[C@@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C 13728351 QDFJWQQNNXWJLH-AVRDEDQJSA-N 401.528 3.527 0 1 HHAF O=C(NCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)NC1CCCCC1 13813659 RHMDXGNHLMFANS-HXUWFJFHSA-N 401.551 3.560 0 1 HHAF COc1cccc(CN2CCC(NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)CC2)c1 13835818 LRYVHUGMUSRZRA-AREMUKBSSA-N 422.569 3.854 0 1 HHAF CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 26495780 SYGJSFLCBOVTRU-UHFFFAOYSA-N 419.522 3.571 0 1 HHAF O=C(O)[C@H]1CN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC[C@H]1O 27421504 AYQVPJIMSWHWEE-RBUKOAKNSA-N 424.324 3.867 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCNCC3)cc12 35285088 PBZTVWPXUNSZDN-UHFFFAOYSA-N 406.511 3.713 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(C(=O)CCN3CCCC3)cc1)C2 40393464 INFNWACZAPRBOO-QHCPKHFHSA-N 409.482 3.559 0 1 HHAF CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@@H](CCc2ccccc2)C1=O 49850792 IMMCKYJRSDYXJG-CPJSRVTESA-N 407.510 3.648 0 1 HHAF C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)c1ccc(F)cc1 68204180 OJEQIOOQKHUSKG-MAUKXSAKSA-N 408.473 3.984 0 1 HHAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O 82179711 UNXJZOLVPHZVRG-UHFFFAOYSA-N 424.524 3.585 0 1 HHAF CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C)N2 82206951 KDUWQUMNJGIKOB-MRXNPFEDSA-N 406.530 3.874 0 1 HHAF O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878381 QANHKTDAUKUZTL-SXSPYAJSSA-N 403.457 3.878 0 1 HHAF COc1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 96170125 ZTQPILVHDFMXPX-UHFFFAOYSA-N 419.868 3.978 0 1 HHAF CCCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286040 VFVIUYYQHAEKJX-KRWDZBQOSA-N 407.513 3.866 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100096096 AIFYZUPRRBLBLJ-WUAHKPDGSA-N 416.546 3.986 0 1 HHAF O=C(NC12CC3CC(CC(C3)C1)C2)c1nc([C@@H](O)c2cccnc2)c2ccccn12 103269054 INBYZTBXXIUGMV-XBESXDPPSA-N 402.498 3.510 0 1 HHAF COc1ccc([C@@H]2Sc3ccccc3N([C@@H](C)N(C)C)C(=O)[C@@H]2OC(C)=O)cc1 169085219 YHPPHZYGGIUDFA-DLPLYFIVSA-N 414.527 3.715 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 169297228 LPRDKGYMPJZAIG-SQDPYLFBSA-N 402.425 3.636 0 1 HHAF NC(=O)c1ccc2c(c1)CCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 205787202 MFYCJZYFTKMTSM-UHFFFAOYSA-N 418.337 3.660 0 1 HHAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2cnccc21 261176698 VATWUHJOCAJJQN-FVQHAEBGSA-N 402.420 3.744 0 1 HHAF COc1cc(CCNCc2cccc(OC)c2OC)c(OC)cc1Br 473098363 FSFKWEKZJSVUMI-UHFFFAOYSA-N 410.308 3.816 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc3nc(C)ccc3c2[nH]1 586965179 LFICXVOFBMZGNL-UHFFFAOYSA-N 418.530 3.876 0 1 HHAF CCOC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019179 GYFZDQAFABYQAT-UHFFFAOYSA-N 422.466 3.745 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587085831 JYBUEMCJRLFIJR-UHFFFAOYSA-N 404.923 3.722 0 1 HHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587233088 HNFZWFFWKPTXJC-LSDHHAIUSA-N 424.505 3.783 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587452225 JVLJBSQNGRCYMQ-WZOHSFFVSA-N 416.429 3.926 0 1 HHAF COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628427 SOEDSHDWUVPHKU-UHFFFAOYSA-N 419.281 3.962 0 1 HHAF COc1ccc([C@@]2(c3ccc(CN4CCC4)cc3)NCCc3nc4ccccn4c32)cc1 962989489 QZLSQRVZHYJSGD-HHHXNRCGSA-N 424.548 3.986 0 1 HHAF O=C1C[C@H](C2CC2)C[C@@]2(C1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963197995 UXMVHGYNDJANON-PBQZTSCYSA-N 401.812 3.932 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3ccccn3)c2cn1)c1ccc(F)cc1 1772635803 WJTXXXFLLIRCSK-CYBMUJFWSA-N 406.421 3.954 0 1 HHAF COc1ccc(C(=O)c2cn(CC3CCOCC3)c3ccc(OCC(=O)O)cc23)cc1 1857775277 NQIWYFWYFDTCAU-UHFFFAOYSA-N 423.465 3.771 0 1 HHAF COc1cccc(CNC[C@@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)c1 2356609141 PEDOIBZNWKJBDN-FIXSFTCYSA-N 408.498 3.591 0 1 HHAF COc1cc(C=CC(=O)OC[C@]2(C)C=Cc3cc(C(C)=O)c(O)cc3O2)ccc1O 2356739077 ZJVPLJKPUGZFOZ-QHCPKHFHSA-N 410.422 3.730 0 1 HHAF CC1=C[C@@H]2C=CC[C@H](C)[C@H](O)C=CCC(=O)O[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C 2356823133 GJGYPEJFZWTPPJ-YOQALWDWSA-N 401.547 3.545 0 1 HHAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 36384318 SNDFWKMEXQSZKL-SIKLNZKXSA-N 420.509 3.580 0 3 HHAF CC(C)(C(=O)NCc1cc(F)ccc1F)n1cc(-c2ccc3c(c2)OCCO3)cn1 205214944 WCEOHZWQUSECOY-UHFFFAOYSA-N 413.424 3.651 0 3 HHAF Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)n1 602151 FFERIMSSXPDFOU-VWLOTQADSA-N 407.558 3.549 0 1 HHAF CSc1nnc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)n1C 1323960 FEYWTUAJILSACJ-UHFFFAOYSA-N 400.938 3.720 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N 4080144 HTEPOLTXBFEVSQ-IRLDBZIGSA-N 405.454 3.669 0 1 HHAF CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCO 4212815 JGPOVKXZTWAZQD-IRXDYDNUSA-N 415.303 3.711 0 1 HHAF COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 5070888 PKWQQGZFQZKYSO-IFMALSPDSA-N 424.541 3.996 0 1 HHAF COC(=O)C1=C(O)c2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)C1 6411747 MSQSANFQTDQCCM-CYBMUJFWSA-N 400.427 3.699 0 1 HHAF COc1ccc(CCC(=O)C[C@@H](O)CCc2ccc(OC)c(OC)c2)cc1OC 27555579 NDVBVCMOGVYWMV-SFHVURJKSA-N 402.487 3.607 0 1 HHAF CCNC(=O)c1ccc(C)c([C@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c1 40898810 AYYSDUAMMLOMDR-QGZVFWFLSA-N 402.878 3.787 0 1 HHAF COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1 45506114 FHJHQELIOHZJNR-UHFFFAOYSA-N 421.585 3.963 0 1 HHAF FC(F)(F)c1cccc(-n2nnc3ccc(NC4CC5(CCNCC5)C4)nc32)c1 73276527 UWWMNBSTTVYINO-UHFFFAOYSA-N 402.424 3.778 0 1 HHAF CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 82157804 ZKZJIFSDWOCTFN-UHFFFAOYSA-N 406.552 3.800 0 1 HHAF N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccc(F)c(F)c1 88260870 KTSDIWWYGMIOMZ-DENIHFKCSA-N 420.525 3.537 0 1 HHAF C=CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccc(Cl)cc4)nc32)cc1 96933662 YQVNLEYHEXIBNV-UHFFFAOYSA-N 418.844 3.697 0 1 HHAF O=C1C[C@H](c2ccccc2Cl)C(=O)N1CN1CCN(c2ccccc2Cl)CC1 103155044 QWLHXDIPPZLMSB-MRXNPFEDSA-N 418.324 3.616 0 1 HHAF COc1cccc(OC)c1[C@H]1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258879 ALGWFSZKLHWWKG-MRXNPFEDSA-N 424.419 3.618 0 1 HHAF Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cc(F)cc12 147028105 VNEFLTJAFNLKGA-JKSUJKDBSA-N 421.480 3.672 0 1 HHAF COc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 167328990 WGFSLPFYDPNSCW-KXBFYZLASA-N 421.522 3.728 0 1 HHAF O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(O[C@H]2CC=C(Cl)CC2)cc1F 225249909 XILALDGHJFJALS-JTQLQIEISA-N 408.278 3.755 0 1 HHAF CC(C)[C@H]1CC[C@]2(C)[C@@H]([C@H]1OC(=O)/C=C/c1ccc(O)cc1)[C@](C)(O)CC[C@H]2O 238750405 MJYKKLXXDFOCHW-UYQLHEEMSA-N 402.531 3.911 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 299878291 ITTVTGYJDJYVCJ-KGSLCBSSSA-N 408.498 3.597 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)ccnc2[nH]1 586956322 FTHZSMHNHFBVAQ-UHFFFAOYSA-N 420.494 3.693 0 1 HHAF COC(=O)c1cc2[nH]c(CSc3nnc(-c4ccc(C)cc4)n3C)nc2cc1OC 586965042 DRWXIFRKVZTGOW-UHFFFAOYSA-N 423.498 3.754 0 1 HHAF CCn1cc(Br)c(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)n1 587000280 KOMWEHLTLPGJGT-UHFFFAOYSA-N 411.307 3.964 0 1 HHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 587114081 UXAZILLHIWAFBL-LJQANCHMSA-N 405.376 3.753 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1Br)O2 587378983 YJSHBGUQPJSQGA-IBGZPJMESA-N 417.303 3.883 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1N1CCOCC1)[C@@H](C2)C3=O 587445705 XOIWETDLLCZRAN-SBUREZEXSA-N 402.450 3.569 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N3CCC(O)CC3)ccc1N)CC2=O 587475128 MHYHHNDSGQYIJB-DEOSSOPVSA-N 410.514 3.769 0 1 HHAF COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC 587627371 TVTBHOJIOYUHOB-UHFFFAOYSA-N 424.844 3.951 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587779326 QWVOMKWXWPNZRJ-HOGDKLEQSA-N 421.266 3.501 0 1 HHAF Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 587837554 IOPMHOWGMXZDSZ-KTTLUUMZSA-N 418.262 3.890 0 1 HHAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CCOc1ccc(S(C)(=O)=O)cc1 1857642295 FQINQESNYNUPLQ-MRXNPFEDSA-N 409.548 3.896 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289255 RYOZJKHJIXBTMY-FBLLAGFSSA-N 406.526 3.700 0 1 HHAF CC1=C[C@H](CN2CCN(c3ccccn3)CC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356499270 ZXLPVAUSODRGBJ-VSKRKVRLSA-N 409.578 3.992 0 1 HHAF CC(=O)c1ccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN(C)c2ccccc2)cc1 2356819474 FCAWDWYSBDZJHY-LGVFNWMJSA-N 420.557 3.858 0 1 HHAF c1cncc(CN2CCN(c3cc(-c4cnc5ccccc5c4)nc4ccnn34)CC2)c1 61903416 QYBPUFLTPCYDEW-UHFFFAOYSA-N 421.508 3.662 0 3 HHAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCC3)cc1 3814694 PBMQINHMSIZXSH-UHFFFAOYSA-N 407.417 3.694 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN(CC)CC)c1 4049433 KDJZDXVZUFQENK-JTHBVZDNSA-N 409.530 3.635 0 1 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 4077528 GTFBYEYHKPPQFX-IFMALSPDSA-N 420.538 3.805 0 1 HHAF COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 4169246 MOCKCIARDSIELI-UHFFFAOYSA-N 411.479 3.785 0 1 HHAF C[C@@H]1CCCN(C(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)ccc2Cl)C1 4660007 WUJXSZZAPFRHRY-CAALAKPESA-N 400.906 3.748 0 1 HHAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 13557938 OIBQOEQWAYXQGP-UHFFFAOYSA-N 424.478 3.603 0 1 HHAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1cc2ccccc2o1)C(C)(C)C 13588282 KUVBYZUUYDILIE-OXQOHEQNSA-N 402.491 3.800 0 1 HHAF CN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc2S1(=O)=O 13605541 BHYFMDSWBBJTJY-UHFFFAOYSA-N 417.245 3.632 0 1 HHAF Cn1cccc1-c1n[nH]c2cnc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 14962202 HJKLJGCUVOFHPH-IBGZPJMESA-N 424.508 3.974 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(CC(=O)O)cc1 27207087 VFBHBERTUSZCNE-OAQYLSRUSA-N 410.470 3.577 0 1 HHAF O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H](N1CCOCC1)O2 28124438 FMJNYWWOBPDRGB-QHCPKHFHSA-N 408.498 3.789 0 1 HHAF COc1ccc(CN2CCC(C(=O)Nc3cc(Cl)c(N)cc3OC)CC2)cc1 29462506 FLNXMFQCJMTKJR-UHFFFAOYSA-N 403.910 3.790 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCc3c(sc(N)c3C(=O)c3ccccc3)C2)cc1 29565677 XQVYRFCAMRPJQW-UHFFFAOYSA-N 412.536 3.617 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820795 RHCPKKNRWFXMAT-MLRMUEIKSA-N 406.563 3.657 0 1 HHAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@H](O)COc1ccc(Cl)cc1 40577064 LFAUYPKPYREPBD-KRWDZBQOSA-N 400.862 3.820 0 1 HHAF O=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 49112422 INSKVGRRZNXFHQ-UHFFFAOYSA-N 404.392 3.519 0 1 HHAF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 62153992 WIYUZYBFCWCCQJ-QGTUIOLUSA-N 414.505 3.573 0 1 HHAF c1ccc(CCc2nc3c(NCC4CC4)ncnc3n2CCN2CCCCC2)cc1 82184786 XYFGJKBGPCBMGW-UHFFFAOYSA-N 404.562 3.919 0 1 HHAF Fc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)cc1 82185620 DFWSSPTZWHDZFZ-SFHVURJKSA-N 404.449 3.819 0 1 HHAF Cc1cncc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1 84603521 GFRXMUADNUMGFX-UHFFFAOYSA-N 416.529 3.882 0 1 HHAF CC(C)Cc1c2c(c(O)c(=O)n1C(C)C)C(=O)N(Cc1ccc(F)c(Cl)c1)C2=O 89464865 GGELZXDPICDVOU-UHFFFAOYSA-N 420.868 3.922 0 1 HHAF COc1nc2ccccc2cc1CN(Cc1ccccc1)C[C@H](O)CN1CCCC1 96939089 IQIUTLIDTVGTFC-HSZRJFAPSA-N 405.542 3.702 0 1 HHAF CNC(=O)c1cccc(Nc2ncnc(NCCCOc3ccc(Cl)cc3)n2)c1 118708260 BZWJZMRCXONHGF-UHFFFAOYSA-N 412.881 3.509 0 1 HHAF CS(=O)(=O)[C@@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 144372218 BLULZTBNCMRZRI-HKUYNNGSSA-N 418.527 3.574 0 1 HHAF Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 169690150 LDWAOCOZTZLLCR-MSOLQXFVSA-N 406.419 3.947 0 1 HHAF Cc1ccncc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 169708015 RTYAPGGVJUAUCT-UHFFFAOYSA-N 400.442 3.594 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896303 PBCFTVWOXYRNFC-UHFFFAOYSA-N 423.494 3.863 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccnc3[nH]2)C[C@@H](C)O1 586968590 AZGIQMRWFLOPNH-OKILXGFUSA-N 406.515 3.807 0 1 HHAF Clc1ccc(Br)nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587005191 BKGXFPUEPXOXIH-UHFFFAOYSA-N 407.699 3.873 0 1 HHAF COC(=O)c1cc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2cc1OC 587167410 MIYGQOFDZGIIJO-QGZVFWFLSA-N 412.421 3.866 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(CCO)ccc2[nH]1 587181188 OJVDGQBQJWXHEA-JTQLQIEISA-N 410.259 3.537 0 1 HHAF CC1(C)Cc2nc(N)ncc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587332205 FPDXQNZGCWWZAH-YKSBVNFPSA-N 419.456 4.130 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccc(Br)cc21 587457245 FZKNICDLLHOCTA-HXUWFJFHSA-N 416.271 3.944 0 1 HHAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587552665 BUNDTWAJIMJNSU-NQIIRXRSSA-N 414.410 3.638 0 1 HHAF COC[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617424 PLRYGHOJGWHSEE-REWPJTCUSA-N 414.454 3.672 0 1 HHAF O=C(c1cccc(I)n1)n1nc2cc1Oc1ccc(F)cc1-2 587873772 LYERLFSBHWVALR-UHFFFAOYSA-N 407.142 3.483 0 1 HHAF CCOC(=O)C[C@@]1(c2nccs2)NC2(CC2)Cc2ccc(Br)cc21 961610138 ANQATBNLWGVVKA-GOSISDBHSA-N 407.333 3.781 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCc3ccc(OC(F)(F)F)cc32)N1 963220745 FKLQFNGBVJKWHV-FPOVZHCZSA-N 414.383 3.922 0 1 HHAF CNC(=O)N1C[C@H]2C=C(c3[nH]c4nccc5c4c3CN(C)c3ccc(F)cc3-5)C[C@H]2C1 1772651662 GHMCSXURQCMKMZ-CABCVRRESA-N 417.488 3.993 0 1 HHAF O=C(N1CCN(c2ccccc2)CC1)N(c1nccc2ccccc12)[C@@H]1CCCNC1 1857556714 LBCTXCODKBBZDD-JOCHJYFZSA-N 415.541 3.735 0 1 HHAF CC(C)CCc1c(-c2ccccc2C(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C 1857572656 DLCPODWJCYQZPQ-UHFFFAOYSA-N 423.557 3.857 0 1 HHAF Fc1ccc(-c2c[nH]c(=NCCCCN=c3[nH]cc(-c4ccc(F)cc4)[nH]3)[nH]2)cc1 1857642228 NMBZWTJIHMFOJH-UHFFFAOYSA-N 408.456 3.893 0 1 HHAF COc1cc(-n2nc(-c3ccc4c(c3)OCO4)c3cccnc32)cc(OC)c1OC 1911580856 MFHDPQCREAZEGK-UHFFFAOYSA-N 405.410 3.842 0 1 HHAF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)Cl)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356847654 OYOOMOHVUZZPOK-PSDTUPOISA-N 401.035 3.695 0 1 HHAF CC[C@H](C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 2457847 MXWAGIBJADLENW-BUXKBTBVSA-N 418.291 3.561 0 1 HHAF CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)C2C(C)(C)C2(C)C)c(C)o1 11790063 YRHABAFZVMBWJL-UHFFFAOYSA-N 419.547 3.710 0 1 HHAF Cc1cc(-c2ccnc(-n3ncc(C(=O)NCCc4cccnc4)c3C)n2)c(C)s1 12079870 JVSFXLZEVYOJMQ-UHFFFAOYSA-N 418.526 3.684 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@@H](O)C2 27305687 TVMYQBSAKPQDBA-NHCICSSKSA-N 417.615 3.874 0 1 HHAF O=C(O)c1cn(CCO)c2cc(F)c(Cc3cccc(Cl)c3Cl)cc2c1=O 29501241 DRDHSNVHWKKIHX-UHFFFAOYSA-N 410.228 3.729 0 1 HHAF COc1cc2ncn(-c3cc(OCc4ccccc4)c(C(N)=O)s3)c2cc1OC 40917157 BVFNLUKEPFBRGA-UHFFFAOYSA-N 409.467 3.782 0 1 HHAF O=C(O)CN1C(=O)S/C(=C\c2cccc(-c3cc(=O)c4ccccc4o3)c2)C1=O 40949443 PUVYYKNRJMKUTH-NVMNQCDNSA-N 407.403 3.581 0 1 HHAF Oc1ccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(C3CC3)o2)cc1 45496234 PBPZCBWBEMJSBP-UHFFFAOYSA-N 415.457 3.903 0 1 HHAF COCCCn1c(NC(=O)c2ccno2)nc2cc(CNC3CCCCC3)ccc21 45498014 FGCMFJMDWDESJP-UHFFFAOYSA-N 411.506 3.735 0 1 HHAF CCCc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1 71281623 TVGLRNNXRUFLFX-UHFFFAOYSA-N 416.551 3.845 0 1 HHAF in-vivo CC[C@@H]1CCCCN1c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 82066846 RMEAOJDNDWPDER-MRXNPFEDSA-N 415.538 3.872 0 1 HHAF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 82195422 YXBADMVZZLWUQE-INIZCTEOSA-N 413.465 3.950 0 1 HHAF CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC 82199068 ZQBQYXNXKBECQU-UQFLNUTESA-N 416.562 3.801 0 1 HHAF CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C 84617152 GPFBOILGPPNQAT-YADHBBJMSA-N 406.530 3.722 0 1 HHAF COc1ccc(C(=O)OC(C)C)cc1CSc1nc2ccccc2n1CC(=O)O 84654892 OOTPNUFLNSLWLB-UHFFFAOYSA-N 414.483 3.987 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](C4=CC(=O)O[C@H]4O)OC[C@]3(O)CC[C@H]21 85639889 UAVYWRNMUKTRDT-KOZDVYCSSA-N 418.574 3.967 0 1 HHAF O=C(c1ccccc1F)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95869450 SPHPVMDEMGUCIV-PKTZIBPZSA-N 408.517 3.671 0 1 HHAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(C(F)(F)F)cc1 118624488 CTGPUFQNQVNVGF-IRXDYDNUSA-N 411.387 3.974 0 1 HHAF CC(=O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143279378 DIFUYTHJMYOHQX-FQEVSTJZSA-N 402.372 3.524 0 1 HHAF O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727234 GYYHVMFYWXLBJF-GGAORHGYSA-N 404.510 3.989 0 1 HHAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1 224730920 SNTYQVHBZGBIGK-UHFFFAOYSA-N 406.461 3.565 0 1 HHAF Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O 261172299 TYOPZGWEWQOLHM-GOSISDBHSA-N 410.840 3.920 0 1 HHAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@H]3COCCO3)[nH]c12 586911436 YEYPMFPCVGVMSG-LBPRGKRZSA-N 423.366 3.931 0 1 HHAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586984044 GDGRSOCNISOJKU-HNNXBMFYSA-N 420.238 3.583 0 1 HHAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586985138 ZQYDVQACTUORPO-AWEZNQCLSA-N 400.255 3.893 0 1 HHAF Cc1c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029157 IREQKNIPQMBDGS-UHFFFAOYSA-N 421.526 3.545 0 1 HHAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587065367 YLWYWGAXWNISDZ-UHFFFAOYSA-N 403.847 3.703 0 1 HHAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cccc(O)c2[nH]1 587108395 LUFGHRGTGXWYOS-CYBMUJFWSA-N 411.405 3.813 0 1 HHAF Cc1cncc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587108673 OKLKACMHHUBWQH-CQSZACIVSA-N 410.421 3.811 0 1 HHAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587569689 GYDIHEFMSVHCSS-VQTJNVASSA-N 405.406 3.649 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC1OCCO1 587618566 UTSDTYKTTSBORD-ZJSXRUAMSA-N 420.417 3.847 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)nn2C)N1 587687156 XOVBTUUTYDAXNJ-UOWDBTKRSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCN(C)C2=O)N1 587767081 IKWBTHYRCNQCKM-FQWGINHLSA-N 417.322 3.844 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 587860263 SHLDZCDLRVMNEM-DYVFJYSZSA-N 410.301 3.759 0 1 HHAF CCCNS(=O)(=O)c1ccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963096644 FVNACZFKEOUSMJ-KNQAVFIVSA-N 402.535 3.798 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1cnc(Cl)s1 963151672 XXGJYQQLVAMKBZ-WPRPVWTQSA-N 401.897 3.589 0 1 HHAF COc1cc(NC(=O)N[C@@H](C)c2onc(-c3ccccc3)c2C(=O)O)cc(OC)c1 2356302505 XEMFBPRCZFXQSB-LBPRGKRZSA-N 411.414 3.940 0 1 HHAF CSc1c2c(cc3c(O)cccc13)[C@](O)(CCC(C)C)[C@](O)(C(=O)O)[C@H](C)C2=O 2356347778 YXCNTMYFPBJMSI-ZWVWPOJTSA-N 418.511 3.539 0 1 HHAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC(CO)(C[C@H]3CCCCO3)CC2)cc1 13659308 CWMRNUXSXVHIGM-LJQANCHMSA-N 409.592 3.707 0 3 HHAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 36384327 DYUHAOWKJONOOZ-FUHWJXTLSA-N 413.449 3.504 0 3 HHAF O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4205995 OQQWUYHRAIBGEQ-UYAOXDASSA-N 401.894 3.627 0 1 HHAF O=C(O)C[C@@](O)(CSCCCCCC(=O)c1ccc(Cl)cc1Cl)C(=O)O 13758207 YICSURYXHIZCBO-QGZVFWFLSA-N 423.314 3.760 0 1 HHAF CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c(O)c1-c1ccc(O)cc1 14721711 WOUMFZZOFGTIFS-UHFFFAOYSA-N 410.378 3.694 0 1 HHAF biogenic CN(C)Cc1ccc(CN2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 40938244 MOKWPDFGPGIYBY-UHFFFAOYSA-N 421.463 3.605 0 1 HHAF C[C@H]1CN(c2ncc(-c3ccc(CNC4Cc5ccccc5C4)cc3)cn2)C[C@H](C)N1 45193307 HXMVNVXYTWSFMO-OALUTQOASA-N 413.569 3.587 0 1 HHAF COc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1 47471357 DZMQVVWUCPHQGS-UHFFFAOYSA-N 400.529 3.880 0 1 HHAF COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 58575922 DJZLXXVDCSALDG-APWZRJJASA-N 423.513 3.555 0 1 HHAF C[C@@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1 73240723 OFYSUSJBNSNQTH-QGZVFWFLSA-N 405.502 3.579 0 1 HHAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCC3CCCCC3)c2cc1OC 82119664 AJJDSZGVLAYBGZ-KRWDZBQOSA-N 414.550 3.848 0 1 HHAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6c(c5)C=NC6)n4)CCC3)cn2)cn1 100633596 BYWRIGKLHHBWSR-UHFFFAOYSA-N 409.453 3.573 0 1 HHAF Cc1cc(=O)oc2cc(OCCCC(=O)N3CCN(c4ccccc4F)CC3)ccc12 169353327 MBMAEDCVHBFWRB-UHFFFAOYSA-N 424.472 3.748 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 586930902 JYKCXXYQWTYWBG-UHFFFAOYSA-N 413.890 3.758 0 1 HHAF Cc1cncc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586954474 IOLHTEUFEAFVED-UHFFFAOYSA-N 406.511 3.988 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccnc(Br)c3[nH]2)C(F)(F)C1 587132745 URYYFMZOWACIMH-MRVPVSSYSA-N 403.227 3.690 0 1 HHAF CN(C)/C=C/[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331604 BDQGABUZYHYSRU-MXGPOVFRSA-N 405.429 3.651 0 1 HHAF O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 587378419 UYQHXKUCEGOFSZ-RBBKRZOGSA-N 410.422 3.573 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O 587440503 AOKRETFUPRGHSZ-CYFREDJKSA-N 407.466 3.575 0 1 HHAF Cn1ccnc1[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575637 GEBAEYXPSKYVMH-GBXCKJPGSA-N 413.433 3.613 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)cc1 587923769 NCHRMMWNAWYILC-XNTDXEJSSA-N 416.480 3.512 0 1 HHAF Cn1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(-c2ccccc2)n1 962637662 OUDDNNGVCYVFFL-HNAYVOBHSA-N 417.387 3.674 0 1 HHAF CNCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 1857536434 UJZUTRYUZOMTFF-UHFFFAOYSA-N 416.591 3.541 0 1 HHAF CN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(=N)[nH]3)c2)cc1 1857548033 JFADSHGYWDAWND-UHFFFAOYSA-N 400.866 3.600 0 1 HHAF CC[C@H](C)NC(=O)c1c(NC(=O)c2cc(F)c(F)cc2F)nc2ccc(C)cn12 1857615834 OIIOJKUYSGIGNI-NSHDSACASA-N 404.392 3.841 0 1 HHAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(Cc3ccc(F)cc3)CCN21 2356510463 ADKRMLNCSXIJGY-OAQYLSRUSA-N 415.940 3.900 0 1 HHAF COc1ccc(NC(=O)[C@@H]2c3ccccc3OCC(=O)N2CCc2ccccc2)cc1 199207130 IJWRGSMKHAKJDG-DEOSSOPVSA-N 416.477 3.839 0 3 HHAF O=C(O)C[C@H]1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc21 1909796 HXARURWAKJJNNF-HXUWFJFHSA-N 407.514 3.911 0 1 HHAF COCC(=O)N(c1ccccc1OC)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26732292 KLDQMZIGULQNFS-PKOBYXMFSA-N 402.560 3.689 0 1 HHAF O=C(c1cn(CCN2CCOCC2)c2ccccc2c1=O)c1cccc2ccccc12 28864826 HGCVBAWZPCEVSI-UHFFFAOYSA-N 412.489 3.718 0 1 HHAF COc1cc(OCCO)ccc1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 35794886 OVWGQPJDVSWPDG-VQIMIIECSA-N 401.528 3.662 0 1 HHAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCC(Cc2ccccc2)CC1)c1ccco1 43527131 KBWSMJCOXGKZOY-TZRRMPRUSA-N 421.585 3.675 0 1 HHAF biogenic O=C(O)c1cn(Cc2ccc(Br)cc2F)c2c(F)ccc(F)c2c1=O 45352337 WDUCMEHKEHMGGA-UHFFFAOYSA-N 412.161 3.928 0 1 HHAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 82209216 WBAWVWLLYPOTDV-FQEVSTJZSA-N 418.541 3.921 0 1 HHAF O[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1 142880625 VCGNDPLDVLHZGK-HNNXBMFYSA-N 422.439 3.774 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 143745598 IVKHDFPMJYWBEM-IBGZPJMESA-N 402.498 3.957 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@@H]2C[C@@H]3C[C@@]3(c3ccccc3)C2)n1C 169296849 XWXGIXOQLMBDID-HMFYCAOWSA-N 409.559 3.971 0 1 HHAF CC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707100 VEQQPQGPECBAKY-OAHLLOKOSA-N 410.424 3.726 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713494 ZMAIFLOHRXCDQS-FPDMUQOZSA-N 418.622 3.959 0 1 HHAF Cc1ccc(C#N)c(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1 205733002 MDBYYNDTOAKBMZ-UHFFFAOYSA-N 412.496 3.655 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccsc1)(N1CCC(O)CC1)C(=O)N2 219475672 WYBXCPDVXBGIIG-QFIPXVFZSA-N 409.511 3.672 0 1 HHAF NC1=N[C@@]2(CO1)c1cc(-c3cncc4ccccc34)ccc1OC1(CCC1)C21COC1 220721492 NFVBGAGTKRCWGE-VWLOTQADSA-N 413.477 3.774 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(F)cccc3[nH]2)cc1 586944725 VDUBCQGCLXPIMA-UHFFFAOYSA-N 401.488 3.952 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 586945942 ORJFKRUGTCCTDK-UHFFFAOYSA-N 411.483 3.760 0 1 HHAF Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 586950001 LMZKELZKOWIXRK-UHFFFAOYSA-N 422.466 3.505 0 1 HHAF COC(=O)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cn1 586966460 NRGGCOOBKFGJCZ-UHFFFAOYSA-N 420.498 3.554 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 587381429 ITHZQYPGAZMTQW-GOSISDBHSA-N 404.388 3.731 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCCCC3)nc3ccc(C)cn3c1=O)O2 587393950 BYSKNONCJKTTTO-LJQANCHMSA-N 418.497 3.590 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1NC(=O)c3c(-c4ccccc4)csc3N1)O2 587415959 ZMUDLRPVCWDUHH-YLJYHZDGSA-N 405.479 3.821 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)C[C@H]1F)[C@@H](C2)C3=O 587426672 FBGXERIQKBHPSS-GWJPWWOOSA-N 411.429 3.562 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1nnn(-c4cccc5ncccc45)c1C)[C@@H](C2)C3=O 587434768 CDBXAQVSBKDUBX-BXKMTCNYSA-N 412.449 3.795 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515912 XKFUANHFONWBHC-HXOBKFHXSA-N 415.486 3.611 0 1 HHAF Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N(C)C)n1 587552864 SWBLDTLBHJTKFH-KXBFYZLASA-N 411.845 3.913 0 1 HHAF COC(=O)COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597611 VAPKSERBECIFEJ-URXFXBBRSA-N 420.417 3.821 0 1 HHAF O=C(CCn1cc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656387 ZFBUIZSDZUABLA-UHFFFAOYSA-N 414.799 3.922 0 1 HHAF CCOc1ccc(-c2nn(C(=O)[C@H]3CCCO3)c(=O)c3ccccc23)cc1OCC 587669470 NIWVFPBXZSMNJC-LJQANCHMSA-N 408.454 3.680 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cn2)N1 587684795 PNBWGJFVEOVUSR-WPPNPWJKSA-N 401.077 3.764 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2F)N1 587723694 BRUKBQPELKGXOU-HUTHGQBESA-N 416.287 3.754 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2c[nH]nc2N)N1 587851187 HMPZJYNMHQGJGY-HUTHGQBESA-N 407.312 3.781 0 1 HHAF CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@@](C)(O)c1ccc(Cl)cc1 653729228 KNLKBQBHYPJRTH-SIKLNZKXSA-N 400.906 3.661 0 1 HHAF CC(=O)c1ccc2c(c1)[C@](C)(c1cncs1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635072 OFTMPFJMEPPBIA-HRAATJIYSA-N 416.499 3.856 0 1 HHAF COc1ccc(F)c([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c1F 962673378 UNHBSIWRBVQKMP-PKTZIBPZSA-N 412.436 3.884 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(-c3nc4ccccc4n3C)o1)NCC2 962935117 YFNWACYJZAMEDQ-QFIPXVFZSA-N 400.482 3.770 0 1 HHAF O=CN(C=O)C[C@@]1(C2CCC(F)(F)CC2)NCCc2c(Cl)cc(Cl)cc21 963111838 SJRRMHNWJNVPSJ-SFHVURJKSA-N 405.272 3.775 0 1 HHAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccccn1 1772576445 XGGCLTMRGUAGOK-UHFFFAOYSA-N 420.557 3.995 0 1 HHAF Cc1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1-c1cnn(C(C)C)c1 1857558741 VMYBFTIUPWMXNU-UHFFFAOYSA-N 409.513 3.864 0 1 HHAF N=c1[nH]c2cc(-c3ccccc3)cc(-c3cccc(N)c3)c2c(=O)n1C[C@H]1CCCO1 1857756593 VEWFKNUERSAOIS-HXUWFJFHSA-N 412.493 3.904 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)C[C@H]3CC[C@@H](CO)[C@@](N)(C2)[C@H]31 2356558959 RVTXERZIRMACGH-IPYNQMJWSA-N 413.606 3.517 0 1 HHAF Cc1c([C@@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 36389241 NWBQYTCWXYBQRT-RNJOBUHISA-N 418.486 3.655 0 3 HHAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1 777190 VPOHVVIQPXQIJF-JKSUJKDBSA-N 402.491 3.690 0 1 HHAF Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc12 2479478 FQFKMULELNODMJ-UHFFFAOYSA-N 421.482 3.625 0 1 HHAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295853 PKBSLSMZIIHRQU-GMVOTWDCSA-N 403.885 3.637 0 1 HHAF O=C1c2ccccc2CN1C/C=C\CN1CCN(c2nsc3ccccc23)CC1 13745267 HDAOSJDKRACLFF-WAYWQWQTSA-N 404.539 3.631 0 1 HHAF O=C(O)C[C@](O)(CSCCCCCOc1ccc(Cl)cc1Cl)C(=O)O 13758187 KQVKQSGMVOMRRI-INIZCTEOSA-N 411.303 3.566 0 1 HHAF COc1ccc([C@H]2OC[C@@H]3[C@@H](c4cc(O)c(OC)c(OC)c4)OC[C@H]23)cc1OC 14585236 WFZOUCNSEQSJLO-VUEDXXQZSA-N 402.443 3.502 0 1 HHAF CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)C[C@@H]1C 22863740 JFHMBOHEIJCTAZ-FUHWJXTLSA-N 420.985 3.600 0 1 HHAF CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)CCC1OCCO1 28950897 IEIUOUFBRNMNIE-UHFFFAOYSA-N 405.303 3.597 0 1 HHAF Cc1ccc(CN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 40407610 VVYZMLGDDBBOJV-QFIPXVFZSA-N 400.473 3.663 0 1 HHAF CCN(C)CCCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40848123 NCTRQLDFFFBOHV-QHCPKHFHSA-N 411.498 3.805 0 1 HHAF COc1cc(Nc2cncc(Nc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC 40938085 GCJGSVPTCNTPIN-UHFFFAOYSA-N 409.446 3.948 0 1 HHAF C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1 45506492 XXDIJWSZFWZBRM-CKRZXURPSA-N 402.531 3.692 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccccc1[C@H](NC(=O)C(F)(F)F)CC2=O 84604977 XEODPOWCFUSYHB-CYBMUJFWSA-N 409.360 3.685 0 1 HHAF CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1-c1ccc(CN)cc1)OCNC 85597478 GQYKKNXKYMKIOS-OAQYLSRUSA-N 414.546 3.781 0 1 HHAF biogenic,in-vitro O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1cccc(-c2ccccc2)c1 96933081 HSCPCTNMDJWUMR-JOCHJYFZSA-N 407.514 3.529 0 1 HHAF COc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)c(OC)c1 100705232 HDEJDUVOZYBGIC-UHFFFAOYSA-N 424.482 3.527 0 1 HHAF CC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2c(ccn2C)c1 115806827 NQYVUOUNGQDZAU-UHFFFAOYSA-N 405.458 3.919 0 1 HHAF COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1 144500941 MTDAUBPAAGOYLK-ZDUSSCGKSA-N 402.433 3.978 0 1 HHAF COc1cc(C)nc2c1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1Cl)CO2 146518931 QTSYESRNYXSECE-GFCCVEGCSA-N 400.784 3.863 0 1 HHAF O=S1(=O)[C@@H]2C[C@@H]3O[C@@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 169366045 DZSBJQYROJIKMG-WCIQWLHISA-N 407.894 3.708 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC/C=C/I)[C@@H](c1ccccc1)C2 253782722 PTARSFHGDDMYOJ-IFNKJOSFSA-N 411.283 3.745 0 1 HHAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl 586929631 XCWXIRPWIZNIFB-UHFFFAOYSA-N 400.287 3.699 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3cncc(Br)c3[nH]2)cc1 586971520 YOSLNQOXVBLXRB-UHFFFAOYSA-N 405.321 3.943 0 1 HHAF COC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587003495 LATSAHLDNLCJQR-NSHDSACASA-N 415.243 3.747 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1cc(O)c(C)c4O)[C@@H](C2)C3=O 587450467 MBTKVYAPNRJGDG-GKVSMKOHSA-N 414.413 3.650 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c(C(=O)OC)cc(C=O)n13)CC2=O 587488636 RFHZTHZVROUFIG-NRFANRHFSA-N 407.422 3.903 0 1 HHAF CS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658841 VHJNOIVUWQEESP-UHFFFAOYSA-N 412.417 3.734 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cn2)N1 587684793 PNBWGJFVEOVUSR-FUXBKTLASA-N 401.077 3.764 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587742741 MFMBEDQEKJYVHF-ZKTNFTSUSA-N 421.310 3.725 0 1 HHAF CCOC(=O)C[C@@]1(c2cccc(F)c2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962568946 LUUSSFPYCCBEED-IQMFZBJNSA-N 401.478 3.916 0 1 HHAF CCNc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1 1772588192 VVXPSZATHARNGO-UHFFFAOYSA-N 403.891 3.777 0 1 HHAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F 1772610904 JWEADFUAWHVJEJ-SJKOYZFVSA-N 406.885 3.507 0 1 HHAF Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1)CS(=O)(=O)O2 1857570925 YLSKAFRCSGLHHS-MRXNPFEDSA-N 419.300 3.797 0 1 HHAF Cc1nc(-c2ccccc2F)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 1857762615 ZCXHINICKDACIY-UHFFFAOYSA-N 421.471 3.695 0 1 HHAF COc1cc(C[C@H](C)[C@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)cc(O)c1OC 2356380867 SYAQUKRBBRLVBT-QAJFTPDKSA-N 406.475 3.681 0 1 HHAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)C[C@@H](OC(=O)CCC(=O)O)[C@H]1CO 2356596560 KFWNRUNSSBZDEP-PCIFRVRHSA-N 422.562 3.863 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)O[C@]34CC(=O)O[C@]3(C[C@@H]2C[C@@H]1O)C(C)=CC(=O)O4 2356596857 QXBTVKIEYQTEJB-GKUMMSIHSA-N 416.514 3.740 0 1 HHAF CC(C)(C)c1ccc(-c2cn(C[C@@H]3C[C@H]4CCN3C[C@H]4C(=O)N3CCCC3)nn2)cc1 2356823303 GLBJFCMBNKICCU-BAGYTPMASA-N 421.589 3.575 0 1 HHAF NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCCO3)cc1 3814676 RKDRZOIGQPIOJE-UHFFFAOYSA-N 403.406 3.717 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)CC)cc1 4205396 RPRJIHGYZYNICB-LMNJBCLMSA-N 416.905 3.718 0 1 HHAF O=C(c1ccc(O)cc1)c1ncc(-c2ccc(O)cc2)nc1C(=O)c1ccc(O)cc1 13378886 AVYFCSACADRIED-UHFFFAOYSA-N 412.401 3.722 0 1 HHAF biogenic COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)C2 15270598 MRKYWHWCKKOXEB-PJYBLOJUSA-N 404.459 3.661 0 1 HHAF biogenic COC(=O)c1cccc(-c2nnc(CC(=O)Cc3ccc(-c4ccccc4)cc3)o2)n1 40893496 OXNAWFBTFJRWRA-UHFFFAOYSA-N 413.433 3.940 0 1 HHAF O=C1NCc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)c(F)c21 64540939 QCTMCGZINYAROF-UHFFFAOYSA-N 419.500 3.813 0 1 HHAF O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 95894464 NRCUBNRGHKUPJF-FSSWDIPSSA-N 423.488 3.723 0 1 HHAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](SCCN)C[C@H]1[C@@H]2C(=O)OC 146629530 AICWVYNHUHODST-WYZMXPRRSA-N 413.587 3.513 0 1 HHAF COc1cncc([C@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)c1 206338439 HDUPHBKKPQFAQB-LJQANCHMSA-N 403.467 3.870 0 1 HHAF CN1CCN(c2ccc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3c2)CC1 587168298 HUMNMPKBCRHGMK-UHFFFAOYSA-N 417.492 3.579 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)O2 587389343 JWWNRDZOWFHJOD-GGAORHGYSA-N 416.437 3.607 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1OC)[C@@H](C2)C3=O 587422729 ZHLLFUHJBSEDSX-QKKBWIMNSA-N 401.846 3.892 0 1 HHAF Cn1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587578593 ATUPSCBOCLCXNL-QPPBQGQZSA-N 414.417 3.737 0 1 HHAF COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587736064 YSZCYALNSZUUNQ-YYSFKGJASA-N 412.230 3.598 0 1 HHAF CC(C)c1nn(C)c2c1[C@@](C)(C1CCN(C(=O)OCc3ccccc3)CC1)NCC2 962916176 XATXUIYZFJBMKR-XMMPIXPASA-N 410.562 3.953 0 1 HHAF O=C(O)c1[nH]nc(Cl)c1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952600 IFAFVGLMNDLLRM-CYBMUJFWSA-N 415.799 3.521 0 1 HHAF O=C(NC[C@H]1CCO1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772649041 MOUFNZPMTXIXBE-OAHLLOKOSA-N 403.360 3.960 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(Cl)[nH]1 1857536219 AKDPOXIXICZXPL-OAHLLOKOSA-N 405.861 3.811 0 1 HHAF CC(/C=C/C=C/C=C/C=C/C(=O)O)=C\[C@@H](C)[C@@H](O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)C(C)C 1857633512 ZOGIGJKRUBEBDV-DYONNZCLSA-N 420.546 3.776 0 1 HHAF O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 1857656436 ZKEUFSFPGJUPGF-RTBURBONSA-N 423.582 3.755 0 1 HHAF COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccccc1 1857767954 RJSPVDFWIJXQRW-XMMPIXPASA-N 408.450 3.881 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 772147 PAFFHBYBAWLLAK-FPOVZHCZSA-N 414.889 3.689 0 1 HHAF COc1ccc(CC2=NO[C@H](C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2)cc1 11789795 TUOFWCYYWCPZPW-JTSKRJEESA-N 418.497 3.665 0 1 HHAF O=C(OCCCc1ccc(F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 13441761 HRUORPRUXJLPNG-FQEVSTJZSA-N 405.491 3.545 0 1 HHAF Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CC[C@@H](O)C4)cc3)ncc12 13641518 FSADLTOIDQVCAJ-LJQANCHMSA-N 405.502 3.530 0 1 HHAF O=C(O[C@@H]1CCN(Cc2ccc(F)cc2)C1)C(O)(c1ccccc1)c1ccccc1 13835346 DEAIUYQFPQTRIV-HSZRJFAPSA-N 405.469 3.879 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@]12C 26394212 ZMAIFLOHRXCDQS-QHJJTWKVSA-N 418.622 3.959 0 1 HHAF CN(C)C(=O)c1c[nH]c([C@@H](O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 40764417 XEZKESPNZFUTJB-FQEVSTJZSA-N 408.889 3.850 0 1 HHAF CN1CC(=O)N2[C@@H](c3ccc(Cl)cc3Cl)c3[nH]c4ccccc4c3C[C@@H]2C1=O 66103288 WBGVPZLWIBDIPP-XLIONFOSSA-N 414.292 3.789 0 1 HHAF Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)OCC2(F)F)c1 95603312 LSQOOIQMQSYBNI-QGZVFWFLSA-N 412.799 3.630 0 1 HHAF CC(C)NC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F 100087949 ZAVWNBVMLRTWHV-QDMKHBRRSA-N 420.273 3.581 0 1 HHAF N[C@H]1CCCN(c2cnccc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1 142900103 LXLQXCPNYRYKDB-AWEZNQCLSA-N 421.455 3.741 0 1 HHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC[C@H]4CCCN4)cc3)oc2c1 145742121 TZFVSGPYEQJXKV-MAUKXSAKSA-N 418.497 3.876 0 1 HHAF C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 205100672 YPMWYFVHFHAVSY-LBPRGKRZSA-N 417.860 3.879 0 1 HHAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(C)C)c2)nc1 222637407 SCOXIDZKVGZCBJ-MJGOQNOKSA-N 406.486 3.781 0 1 HHAF C[C@@H]1Cc2c(nnn2-c2cc(F)ccn2)CN1C(=O)c1cccc(Cl)c1Cl 225995125 HTGDPGZNWXWJGU-SNVBAGLBSA-N 406.248 3.695 0 1 HHAF COC(=O)CN1C(=O)C2(CCN([C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)c2ccccc21 261102720 GSLPZHCOJZRJIT-HSALFYBXSA-N 410.558 3.899 0 1 HHAF O=c1c(-c2nc3nc(Br)c[nH]c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 587171202 JFMSUAHBHWXNBH-UHFFFAOYSA-N 418.201 3.662 0 1 HHAF CN(C)C(=O)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587259036 VYULASKMQMJVFO-IBGZPJMESA-N 415.497 3.837 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 587326776 DAZOADRDBISNII-KNQAVFIVSA-N 414.816 3.750 0 1 HHAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355475 XTATVWGNFZYCIQ-WMZHIEFXSA-N 414.429 3.807 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@@H]3CN[C@H]2C(=O)O)c1 587363694 SXCHUYOFEKYHQF-PONJGIIJSA-N 400.434 3.969 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(NC(=O)OC(C)(C)C)cncc1OC)[C@@H](C2)C3=O 587431528 GUDRZXAEEWGLRH-RBZFPXEDSA-N 412.442 3.935 0 1 HHAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cc3c(O)nc(O)nc3nc12 587561521 SOGJZVXWNLVFKR-FRPJHDAQSA-N 407.514 3.773 0 1 HHAF O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587608348 KDZCSSAVVAWOIF-AUSIDOKSSA-N 402.358 3.610 0 1 HHAF COc1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1Br 587927920 ZWLVBBJDMSQGIM-UHFFFAOYSA-N 420.215 3.730 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631764 KXKRYYQLXPGBJR-RXFWQSSRSA-N 411.505 3.638 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(CCCc4c3sc3nccn43)N12 962661588 HYZBGSWYFHQTJW-DHIUTWEWSA-N 418.522 3.623 0 1 HHAF COc1cc(Cl)c([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962964159 JKFDDDRQSDKSMT-YVEFUNNKSA-N 418.223 3.977 0 1 HHAF Cc1sc2c(c1C)CCN[C@@]21C(C(=O)O)=CN2c3c1cc(F)c(F)c3OC[C@@H]2C 963013044 HXQHNBCXAXBAJN-FPVGNUTFSA-N 418.465 3.602 0 1 HHAF C[C@@H]1CC(NNc2ccccc2)=C[C@@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963227439 PZUAMNCPTLIVMT-IUUIHGGBSA-N 414.509 3.960 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963487090 BMUPQZMVRPGYQK-PEKRRXIPSA-N 423.509 3.642 0 1 HHAF O=C(NCC1(O)CC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772577217 AROSNJYGHROJPX-UHFFFAOYSA-N 403.360 3.696 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@@](N)(CCCO)C2 2356294287 STTSAMAMJQQJKW-BSSSKNGPSA-N 401.595 3.661 0 1 HHAF CCCCC[C@H](O)C=CC=C(CCCC[C@H](CCC(=O)O)NCC)C[C@@H](O)CO 2356371302 JCSCLTATSIYKRI-BHIFYINESA-N 413.599 3.557 0 1 HHAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 1663511 BIABZTJAETYPMO-UHFFFAOYSA-N 403.143 3.663 0 1 HHAF O=C([C@@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 12099980 HIIRPOXVQKMFQY-ICSRJNTNSA-N 402.491 3.547 0 1 HHAF CCCCn1nc2n(c1=O)[C@@H](c1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CCC2 26576492 CAYZWFPFTMLBBH-HXUWFJFHSA-N 415.501 3.618 0 1 HHAF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]12OC(=O)CS2 27718778 NFDFEUFTGOEPNW-BWTKLRSJSA-N 424.509 3.538 0 1 HHAF CCCCOC(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 29337924 NYAMOGPJIJIVPB-NQIIRXRSSA-N 403.526 3.610 0 1 HHAF CC(=O)c1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1 36126738 ZZCFQOGPJUCWRJ-UHFFFAOYSA-N 422.456 3.529 0 1 HHAF O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Nc2ccc(F)cc2)nc1 49785376 PAXSCWZUUPYDJA-UHFFFAOYSA-N 411.502 3.626 0 1 HHAF CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(N3CCN[C@@H](C)C3)cn2)n1 64539290 RPSMUTSVMKSFIZ-ZDUSSCGKSA-N 412.929 3.580 0 1 HHAF CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)cnc21 66100292 YHPAGHLLJYQSQD-QGZVFWFLSA-N 418.852 3.667 0 1 HHAF O=c1onc(-c2ccc(-c3ccc(Cl)cc3)o2)n1-c1ccc(N2CCNCC2)cc1 84710098 NWWGWXIYJUQJCJ-UHFFFAOYSA-N 422.872 3.816 0 1 HHAF CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O)CC1(CCC1)O2 95573599 KSNAUJWJCQKJBU-KMDXXIMOSA-N 422.569 3.693 0 1 HHAF O=C(Cc1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 95878644 FYKRKSAHPADLCF-CYSDGLOUSA-N 417.484 3.806 0 1 HHAF O=C(Nc1cc2cccnc2cc1O[C@@H]1CC[C@H](O)C1)c1csc2cncnc12 113651976 XPMRQKGHVCXNDM-UONOGXRCSA-N 406.467 3.784 0 1 HHAF O=C1Nc2ccc(Br)cc2[C@]1(O)c1c[nH]c2ccc(Br)cc12 146727739 KCELEMHWHLVIML-INIZCTEOSA-N 422.076 3.881 0 1 HHAF Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 207282700 BOTHEIGTHCWZNG-UHFFFAOYSA-N 402.347 3.679 0 1 HHAF COc1ccc(Cl)cc1NC[C@@H]1[C@@H](c2ccc(S(=O)(=O)NO)cc2)C1(C)C 208054554 SRVPIZHBQNKZSO-CRAIPNDOSA-N 410.923 3.868 0 1 HHAF Cc1ncsc1CNc1nc(-n2ncc3ccccc32)nc(N)c1Br 217073745 DGFHPCHDAOKRIG-UHFFFAOYSA-N 416.308 3.537 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(CCO)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253708583 VOCNVBNHMPOAMF-ITBSJYLBSA-N 418.622 3.697 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2nccc3ccccc23)CC1 254144419 JXVSLNGMRZGTLA-AQKQGEKGSA-N 417.509 3.763 0 1 HHAF Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)c3cnn(C)c3)c3ccccc23)c(O)n1 474609318 PIRWUVIJXUTVQX-MRXNPFEDSA-N 417.513 3.940 0 1 HHAF CCOc1n[nH]c(-c2nc3c(C)c(Br)cnc3[nH]2)c1Br 586979478 NKBGUFUFXBWNIC-UHFFFAOYSA-N 401.062 3.580 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc12 587039664 ZVQUROXKWATIHR-LLVKDONJSA-N 423.477 3.635 0 1 HHAF Nc1ncc(-c2nc3c(Br)ccnc3[nH]2)c(-c2ccccc2Cl)n1 587060375 DLOGCIVNDCHDRM-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF C[C@@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332369 DLJNLAJQSZYUKI-GGAORHGYSA-N 409.413 3.948 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1)O2 587392282 SEEQGLRTAUEQKS-VWLOTQADSA-N 412.445 3.734 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCOCC1)(c1cc3ccccc3o1)O2 587399626 LGNASCWXPBKTDS-XMMPIXPASA-N 406.482 3.906 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(Br)c1)[C@@H](C2)C3=O 587420032 VRQLJPLRMGENLH-MGPUTAFESA-N 416.271 3.993 0 1 HHAF Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587537660 ADNOORMBLRDKGL-MAUKXSAKSA-N 413.227 3.835 0 1 HHAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl 587550847 CFIUFXLCTUFJEA-LPHOPBHVSA-N 411.797 3.930 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 587715601 CDSQEHTWDPHNNP-HUTHGQBESA-N 416.241 3.589 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCC(=O)O)c2)N1 587790040 DTWJUCPEAAVAGC-WYRIXSBYSA-N 408.267 3.849 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 587794181 OQJABSHPFACSSK-WLRWDXFRSA-N 408.267 3.849 0 1 HHAF CC(=O)c1c(O)ccc(C(c2ccc(O)cc2O)c2ccc(O)c(C(C)=O)c2O)c1O 653762889 APJMQRFNOPFGPN-UHFFFAOYSA-N 424.405 3.506 0 1 HHAF COc1ccc([C@]2(c3ccc(CN4CCC4)cc3)NCCc3nc4ccccn4c32)cc1 962989490 QZLSQRVZHYJSGD-MHZLTWQESA-N 424.548 3.986 0 1 HHAF COc1cccc(-c2nc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)co2)c1 963217999 BJJKAHOCQIBQEH-PZJWPPBQSA-N 401.422 3.587 0 1 HHAF COc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231412 MIJXRKZCXGCUSE-WIOPSUGQSA-N 413.477 3.904 0 1 HHAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccc(-c2ccccc2)cc1 1857565060 ZKFAPHSPMXXHQN-UHFFFAOYSA-N 409.489 3.691 0 1 HHAF COc1ccc(C(=O)N2CC[C@H](CC(=O)O)[C@@H](Cc3nc4ccc(C)cc4[nH]3)C2)cc1 2356484679 DEUDXARZSTWKHL-MSOLQXFVSA-N 421.497 3.676 0 1 HHAF COC(=O)C=C(CC[C@@H]1[C@H](OC=O)C=C[C@@H]2C(C)(C)CCC[C@]12C)COC(C)=O 2356644518 JQUOFEBUGGKARK-GLHSZLCASA-N 406.519 3.989 0 1 HHAF COC(=O)c1cc(C)nc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 61906832 YTBFYSLOMHYQJH-ZDUSSCGKSA-N 403.895 3.668 0 3 HHAF O=c1cc(N2CCN(c3cccc(Cl)c3Cl)CC2)[nH]c(=O)n1C1CCCCC1 197912467 MZQGOTGQTIXEJN-UHFFFAOYSA-N 423.344 3.675 0 3 HHAF CN(CCCN1CCCC1)CCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1 6010396 NBPKJOOMUMJJOQ-UHFFFAOYSA-N 400.394 3.802 0 1 HHAF C=CC[C@@]12C[C@@H](OC)C(=O)C(OC)=C1O[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C 13372791 HUPGTAGQEXENPN-PDWWREDPSA-N 402.443 3.540 0 1 HHAF COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@H](C)N[C@H](C)C2)c2ccccc2-3)cc1 13758969 CCORWJHDTBLOIY-CALCHBBNSA-N 417.513 3.670 0 1 HHAF O=C(O)[C@@H]1CCCN(CCOCCOCCN(c2ccccc2)c2ccccc2)C1 13801419 MSGVXPICFXIBKU-OAQYLSRUSA-N 412.530 3.655 0 1 HHAF O=C(O)Cc1nn(Cc2nc3c(Cl)ccc(Cl)c3s2)c(=O)c2ccccc12 13860773 FVRPXJFCURFPPW-UHFFFAOYSA-N 420.277 3.988 0 1 HHAF CN(C(=O)N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 26379316 BCAYFVWDGNYAJC-NRFANRHFSA-N 402.429 3.787 0 1 HHAF COc1cc2c(cc1OC)CC(=O)N(CCCNCCc1ccc(Cl)cc1)C=C2 26403827 GFGARWURRHVRHB-UHFFFAOYSA-N 414.933 3.935 0 1 HHAF COc1ccc2c(C(=O)N(CC(=O)O)C(=O)OC(C)C)cccc2c1C(F)(F)F 26503992 OWZDSNXRCQVSBP-UHFFFAOYSA-N 413.348 3.939 0 1 HHAF O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@H]1O 27644800 KIQXRQVVYTYYAZ-SYPRLTHRSA-N 410.457 3.816 0 1 HHAF endogenous,world CCOc1nc2ccccn2c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29557284 MZZQELHLTLJCBM-UHFFFAOYSA-N 424.464 3.531 0 1 HHAF c1ncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)cn1 34838224 CCFFFQSJNBTIIM-UHFFFAOYSA-N 417.498 3.637 0 1 HHAF COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)O)c3n2)cc(OC)c1OC 36348687 OFIIQJVXDPCIQP-UHFFFAOYSA-N 420.425 3.888 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1[nH]c(CC)nc1Cl 38268492 UMPXFZOBQJEXEV-HNNXBMFYSA-N 409.914 3.765 0 1 HHAF Cc1ccc(NS(=O)(=O)c2cc3c(cc2N2CCCCC2)NC(=O)CC3)cc1C 64658481 PFQAFZFSUCEPGW-UHFFFAOYSA-N 413.543 3.979 0 1 HHAF C[S@](=O)c1ccc(CN2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)cc1 66102135 NQXKIOZJPCCROR-SKCUWOTOSA-N 411.910 3.927 0 1 HHAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ccc(F)c(Cl)c1 71715464 FIFYUZTYGJABFT-CHHVJCJISA-N 406.822 3.821 0 1 HHAF CCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4n3C)cc2)C1 72125224 WBSRKIBZUNHAJK-MSOLQXFVSA-N 404.514 3.898 0 1 HHAF O=C(CN1CCCC1)Nc1sc2c(c1C(=O)N1CCC(F)(F)CC1)CCCC2 95559337 JURGDYPCLIOPQI-UHFFFAOYSA-N 411.518 3.533 0 1 HHAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893337 WBKNPNMAUZSOIK-ZLNRFVROSA-N 404.510 3.583 0 1 HHAF CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(OC)c1 100705426 HIDCMDOEMAEEMJ-UHFFFAOYSA-N 409.467 3.895 0 1 HHAF COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncnc1C 114026507 ASIZCFLZEUUXRR-UHFFFAOYSA-N 406.467 3.810 0 1 HHAF COc1ccc(CN2CC(=O)[C@H](SCc3cccc(C(F)(F)F)c3)C2=O)cc1 169693703 ODJMZITUTJYLFQ-SFHVURJKSA-N 409.429 3.927 0 1 HHAF CC(C)(C)n1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587344204 WJNVMEDSZGVDFE-XXBNENTESA-N 424.428 3.822 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)O2 587396907 WVQLIZSGQTXQHQ-UQNRQAKVSA-N 416.518 3.717 0 1 HHAF CC(C)COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584099 WBDYWMBMFUZLAH-LJQANCHMSA-N 411.454 3.981 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)cc1 587596113 QWBQQUCCOJSYMB-XUZZJYLKSA-N 402.450 3.505 0 1 HHAF CCn1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587764438 PXFHLRKPHWRZAP-FSRVMCGMSA-N 407.331 3.658 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc[nH]2)[nH]n1 587863457 KSYWYFFNKOBOJC-UHFFFAOYSA-N 401.348 3.984 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 653793863 HAOGGTWLSZGSCY-YMPZKCBVSA-N 401.466 3.918 0 1 HHAF COc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(OC)c1O[C@@H](C)C(=O)O 963094226 LKNVOXRIULLUDC-IBNJYYFUSA-N 415.461 3.805 0 1 HHAF CCCc1nnc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)o1 963227764 RCDIOQLFNURSDU-RBBKRZOGSA-N 414.465 3.926 0 1 HHAF COc1cccc(-c2nnc(NC(=O)c3cccnc3NCc3ccncc3)s2)c1 1772631865 FWXRWZZEHLVULO-UHFFFAOYSA-N 418.482 3.868 0 1 HHAF COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H](CCSC)n1cccc1 2356763830 UIJKCOXPFDVUFE-HBMCJLEFSA-N 407.624 3.522 0 1 HHAF CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1 4967364 UISOFTFMCMGCRC-PXNSSMCTSA-N 410.539 3.955 0 3 HHAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOCCO 4310641 OEAQOQCBRYMHMU-OALUTQOASA-N 414.905 3.618 0 1 HHAF COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@@H]1[C@@H](O2)OC(C)(C)[C@H]1OC(C)=O 14683792 YRLRQNVYUYVRRD-XJURDXFZSA-N 424.449 3.944 0 1 HHAF biogenic O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21 34010590 SCZBQMAVFTUMTR-UHFFFAOYSA-N 400.438 3.733 0 1 HHAF C[C@@H]1CN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CCN1C1CCC1 58576584 VJPGHPQDCLUTIG-WZONZLPQSA-N 420.536 3.509 0 1 HHAF CCN(CCc1cn(C)cn1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64654332 VNKDVZLJRZNGNM-UHFFFAOYSA-N 401.470 3.828 0 1 HHAF O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2ccc(Br)cc2)on1 72170842 DNLIWMAQIVWYAD-UHFFFAOYSA-N 415.243 3.805 0 1 HHAF CCN1CCN(c2nc(NCCC(C)(C)C)c3cc(OC)c(OC)cc3n2)CC1 82129836 SZVUEFKIJCTVJW-UHFFFAOYSA-N 401.555 3.637 0 1 HHAF CC(=O)NCCn1c(-c2cccs2)nc2c(NCc3ccccc3C)ncnc21 82180331 OIHUUTANXLBYBR-UHFFFAOYSA-N 406.515 3.611 0 1 HHAF Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4)c3)c12 84669740 UFPZESBZRBQJGP-UHFFFAOYSA-N 401.426 3.984 0 1 HHAF [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@H]5CCNCC[C@@H]5F)c4n3)n2c1 96175088 GFVZLOMZOSEUPY-WMZOPIPTSA-N 402.433 3.964 0 1 HHAF COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 101638149 XEBWPMWXHPVINJ-OKDJAKQTSA-N 402.535 3.904 0 1 HHAF CC(C)(C)Cc1nc2cc(S(=O)(=O)CC3CCNCC3)ccc2n1CC1CC1 115891385 LIJRYXCXDXKTNY-UHFFFAOYSA-N 403.592 3.808 0 1 HHAF CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(F)cc2)cc1 145625645 CFGDBJCENZPXFT-UHFFFAOYSA-N 412.465 3.704 0 1 HHAF CCCCCCNC(=O)Cn1cc(Cc2c(Br)[nH]c3ccccc23)nn1 169328207 LJZKKJCNECCSES-UHFFFAOYSA-N 418.339 3.809 0 1 HHAF COc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCOCC2)cc1 201537729 MWSXDMHTVFYRAE-UHFFFAOYSA-N 418.902 3.566 0 1 HHAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 253634504 PCALQRJKBBDAFN-PDSFRDGWSA-N 403.563 3.725 0 1 HHAF CCCCN(CCCC(=O)O)C(=O)[C@]1(C)CCN1C(=O)c1csc2ccccc12 299832663 KCGIACZGGGVCAD-QFIPXVFZSA-N 416.543 3.999 0 1 HHAF COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccc(C)o5)c(=O)n4n3)ccc2c1 299854884 ANMPWKSABSVVFB-GQFJFNLSSA-N 417.490 3.914 0 1 HHAF COc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961835 SZQYDDMKGPVLIK-QGTPRVQTSA-N 412.515 3.661 0 1 HHAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(CO)cc2[nH]1 587231229 OBOFTPQCDCCQGV-UHFFFAOYSA-N 402.454 3.944 0 1 HHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 587246581 HLIMDOAVQRFXGG-SFHVURJKSA-N 408.246 3.955 0 1 HHAF CC1(C)Cc2nc(N)ncc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587332203 FPDXQNZGCWWZAH-RDPSFJRHSA-N 419.456 4.130 0 1 HHAF CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445167 XNQFXKYIWGJTNH-HOYKHHGWSA-N 410.466 3.862 0 1 HHAF COc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587540827 BXWYNXXLMQIPFN-DENIHFKCSA-N 412.825 3.904 0 1 HHAF COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587596845 PMTRYWCOTQQQHI-NFBKMPQASA-N 408.406 3.826 0 1 HHAF COC(=O)c1cc(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599172 DDMCICOYLNKKOT-KNQAVFIVSA-N 406.390 3.890 0 1 HHAF COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)cc1 653694239 VMWDGVHSQTWDFE-UHFFFAOYSA-N 415.541 3.615 0 1 HHAF COc1cc(OC)cc([C@]2(c3cccc(OC)n3)NCCc3ccc(F)c(C)c32)c1 962095755 XBJURQSJZUIMNU-XMMPIXPASA-N 408.473 3.993 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(CC(=O)c1ccc3c(c1)OCCO3)N(C)[C@@H](C)C2 962628050 GSBGCPPQDNAHQT-IZHWHUGBSA-N 411.498 3.840 0 1 HHAF CCOC(=O)CC[C@@]1(c2cccc(OCC)c2)c2ccsc2CCN1C(N)=O 962701971 KXVIIIBLYOBPSP-OAQYLSRUSA-N 402.516 3.671 0 1 HHAF COc1ccc(O)c(C(=O)C[C@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962919191 KDOPCCKEBNQZDY-RUZDIDTESA-N 419.525 3.920 0 1 HHAF C[C@H]1CN(c2nc(N3CCOCC3)c3sc(-c4ccccc4)cc3n2)C[C@@H](C)O1 1772576804 TUEDDGAJARRXKM-IYBDPMFKSA-N 410.543 3.809 0 1 HHAF Nc1ncnc2c1c(-c1cc(F)c3c(c1)NCCO3)nn2[C@H]1CCc2ccccc2C1 1772611195 IVESWVATAVBZHV-INIZCTEOSA-N 416.460 3.749 0 1 HHAF Cc1ccc(NC(=O)N2CCN(c3nc(=O)c4cc(Cl)ccc4s3)CC2)cc1 1772621515 KGGSFOOWVKRXMD-UHFFFAOYSA-N 414.918 3.972 0 1 HHAF O=C(CN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O 1857555032 MEVMAVCOYHIKDV-UHFFFAOYSA-N 403.438 3.624 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Cn1ncc3c1-c1ccccc1OC3)CC2 5055202 IDEQICXOOXTKTQ-OAHLLOKOSA-N 419.481 3.606 0 3 HHAF O=C(O)C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O 1903710 NPZOIISFQXTCQN-KDOFPFPSSA-N 407.290 3.528 0 1 HHAF in-vivo O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055652 NMAUNUZKXVTNQI-SFNKJDCFSA-N 404.919 3.913 0 1 HHAF O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@H]12 4236476 SJHOCHXYZAQPGS-WBADGQHESA-N 404.466 3.713 0 1 HHAF biogenic COc1ccc2c(c1)[nH]c1c(N3CCN(CCc4ccc(F)c(F)c4)CC3)ncnc12 13559661 YWGVRSZHUVTQKE-UHFFFAOYSA-N 423.467 3.763 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F 28235781 ZBGCMRMFDMEKCH-HCBHUFDISA-N 405.438 3.561 0 1 HHAF O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 28362155 BQJVYIFVMRAUDD-ONFDZLJGSA-N 424.921 3.603 0 1 HHAF CO/C(=C/c1ccc(O)cc1)C(=O)N/C=C/c1ccc(OC)c(Br)c1 38628069 UCXFHNQSLPZQNU-DBJUCQNNSA-N 404.260 3.938 0 1 HHAF CCN(CC)CCOc1cc(O)c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 45497262 BFOBKLDRWBKSSX-UHFFFAOYSA-N 411.454 3.657 0 1 HHAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccccc2Br)ON1C 95591640 DFKSEUTYASRXRO-ZIAGYGMSSA-N 421.228 3.616 0 1 HHAF COc1ccc(-c2cn(CCCCN3CCN(c4ccccc4OC)CC3)nn2)cc1 96284797 HJOOPOPFMHOXPP-UHFFFAOYSA-N 421.545 3.565 0 1 HHAF C[C@]1(O)C[C@@H](c2nc(-c3ccc([C@@H](O)c4ccccc4)cc3)c3c(N)nccn32)C1 100619037 OKZMCXPKJYHEPF-NSXLHWASSA-N 400.482 3.689 0 1 HHAF O=C(O)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](O)CC4)ccc2-3)cc1 101110436 UBWUSBASJVPSHE-KDURUIRLSA-N 403.482 3.739 0 1 HHAF COc1ccc2c(=O)c(Cc3c(O)ccc4ccc(=O)oc34)c(N3CCCC3)oc2c1 101148234 RWYIOYZEPYFQCF-UHFFFAOYSA-N 419.433 3.805 0 1 HHAF OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccc(F)cc2)cc1 103231595 VNHSUICDFSZGBI-UHFFFAOYSA-N 404.489 3.913 0 1 HHAF N[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 115457116 JENCZQGBRRRHGE-OAGGEKHMSA-N 416.957 3.712 0 1 HHAF CCCNc1cc(-n2c3c(c4c2CC(C)(C)CC4=O)CCN(C)C3)ccc1C(N)=O 169307798 XEADAWRYEKBMAU-UHFFFAOYSA-N 408.546 3.541 0 1 HHAF Nc1ncc2c(n1)CCN(c1ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc1)C2 169710053 ICCYYSJLNZEDFV-UHFFFAOYSA-N 413.403 3.893 0 1 HHAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1 216303653 LOFYTJPPOYUEOW-UHFFFAOYSA-N 416.374 3.987 0 1 HHAF Cc1cc(NC(=O)c2ccc(Cl)cn2)cc([C@]2(C(F)F)N=C(N)O[C@H]3C[C@H]32)c1F 226059271 OJWJKXCEPPILPQ-CILWKZBWSA-N 424.810 3.629 0 1 HHAF COC[C@@H](NC(=O)Nc1ncc2c(-c3ccnc(C)c3)n[nH]c2c1F)c1ccccc1 261128123 KPXNUXWEQBCEAF-QGZVFWFLSA-N 420.448 3.977 0 1 HHAF O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(CC3CCC(F)(F)CC3)c2N1 299867941 QVPVCFRPDQANDU-HXUWFJFHSA-N 420.847 3.942 0 1 HHAF CN(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928792 JDRMGGIHMXRIIX-UHFFFAOYSA-N 405.694 3.739 0 1 HHAF COc1cc(OC)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587003324 SXPISAWBIKIZSN-UHFFFAOYSA-N 401.264 3.935 0 1 HHAF CN(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169402 CRTNLGILIRCBKX-UHFFFAOYSA-N 423.469 3.754 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587243985 FOXFFPBFJYYHOB-UHFFFAOYSA-N 419.485 3.643 0 1 HHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccnc1 587395825 UMXKQTJPHZPGQS-HXUWFJFHSA-N 404.422 3.907 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)O2 587408829 IYKDCVDTLQRJSA-QHCPKHFHSA-N 407.491 3.890 0 1 HHAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC(=O)O 587591042 FMQQNOXVOPAYQZ-XUZZJYLKSA-N 420.417 3.905 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 587744831 TYHDXPNKWMGHPD-OMPKRAJASA-N 421.314 3.593 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 587799040 VWVIDOXQLFILNW-ZQWRNJAYSA-N 417.322 3.839 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799939 VEPUJOXYSDNZKI-RGIROJJOSA-N 412.299 3.640 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587808633 OUPLKEIZYHSBEU-CKBSFLJSSA-N 404.279 3.831 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 587873390 YLFNHFFCWXYGKB-HNNXBMFYSA-N 403.454 3.985 0 1 HHAF CN1CCN(c2ccc(NC(=O)c3c(Nc4ccccc4)ccnc3O)cc2)CC1 653747714 ZMOJWHVXEPJUGU-UHFFFAOYSA-N 403.486 3.535 0 1 HHAF C[C@H](C(=O)O)n1cc([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963031550 RBNMGORSPSQBKT-KAEOHJDDSA-N 403.482 3.604 0 1 HHAF Cn1nc(COc2cc(F)cc(F)c2)c2c1CCN(C(=S)NC1CCCCC1)C2 1857611217 WMHDQSHMJOMOSM-UHFFFAOYSA-N 420.529 3.843 0 1 HHAF COc1cc(-c2nc(CN3CCCN(C(=O)c4ccco4)CC3)c(C)o2)ccc1F 11753933 LWQHGBUSGKWJIN-UHFFFAOYSA-N 413.449 3.739 0 3 HHAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)NCc2ccc3c(c2)OCO3)cc1 61902808 MBPAHMULAURSHC-DEOSSOPVSA-N 408.498 3.634 0 3 HHAF CN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc(Cl)ccc32)c2ccccc21 206045558 KJYWTMQSMSQPTF-QPPBQGQZSA-N 418.880 3.835 0 3 HHAF CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C 5058400 VSTSLFMHSLKCLN-GOSISDBHSA-N 404.532 3.664 0 1 HHAF O=C(NC[C@H]1CN(c2ccc(N3CCCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1 12354974 KUPKOIOPQVEAPX-ZDUSSCGKSA-N 423.897 3.896 0 1 HHAF CCCc1cnnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12 13861634 XYIMNLQZQJQGFN-UHFFFAOYSA-N 410.474 3.953 0 1 HHAF CCCCN1CC(=O)N2[C@@H](c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 26771637 QQNWCGMZIWPELT-QPPBQGQZSA-N 417.509 3.662 0 1 HHAF biogenic CCCc1c(OCc2ccc(OCCCc3nnn[nH]3)cc2)ccc(C(C)=O)c1O 27892482 JIKAQLYGWXGRRO-UHFFFAOYSA-N 410.474 3.651 0 1 HHAF N[C@H](CSCC1CCCCC1)[C@H](O)C(=O)NCCc1ccc(Cl)cc1Cl 27990458 PCYWWZYLMGJJJD-MSOLQXFVSA-N 419.418 3.654 0 1 HHAF c1cncc(CNc2ncccc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 28570820 XINWQRHEYTZCMW-UHFFFAOYSA-N 402.414 3.654 0 1 HHAF CC(C)(C)c1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 40896128 VDYASIZLCFWDDV-UHFFFAOYSA-N 406.523 3.744 0 1 HHAF O[C@H](COc1cccc2[nH]c3ccccc3c12)CN1CCN(c2ccccc2)CC1 96939760 UXUHQFVQJCNORL-FQEVSTJZSA-N 401.510 3.883 0 1 HHAF CC(=O)N1[C@@H]2C=C(CN3CCC(Nc4cnc5ccccc5n4)CC3)C[C@@H]1CCC2 101160601 CQKPQGPFKZFFHT-SFTDATJTSA-N 405.546 3.606 0 1 HHAF COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 101972965 BJEDIGDSPYXOHZ-NSENLKBVSA-N 417.590 3.713 0 1 HHAF Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3)n2)c2cc(F)ccc2n1CC(=O)O 117015341 ONAHUFZOBQRSPA-UHFFFAOYSA-N 423.419 3.508 0 1 HHAF C[C@@H]1CC[C@H](Oc2ccnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1 118558671 ZWHNRJHYNBPVBD-MSOLQXFVSA-N 413.481 3.888 0 1 HHAF CCCCS(=O)(=O)N1C[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3Cl)[C@@H]2C1 169313596 NSXLSPLHCXZYTR-SRCQZFHVSA-N 419.374 3.564 0 1 HHAF O=C(NC1CC1)c1ccsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1 169701723 WYEGBHLHEYZHLJ-UHFFFAOYSA-N 420.498 3.699 0 1 HHAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)ccc1O 257607395 WNEWYJBAIPHOET-UFNANVBGSA-N 402.443 3.502 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cc(Br)c2[nH]1)C(C)C 586932199 CBGWIJRLGMPJJT-ZDUSSCGKSA-N 406.321 3.881 0 1 HHAF Brc1cccc2nc(-c3cncc(I)c3)[nH]c12 587184732 MMJZHLZSHNFTFR-UHFFFAOYSA-N 400.017 3.992 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(OC(F)(F)F)c2[nH]1 587194444 TXLILMLSAJPMIQ-LBPRGKRZSA-N 402.417 3.979 0 1 HHAF CN[C@H](c1cccnc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587222327 KBJSOYFTKQQTCN-GFCCVEGCSA-N 401.186 3.928 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(=O)c(C(=O)O)c[nH]c3c1)CC2=O 587487285 FDUNBBWEEULHGC-QHCPKHFHSA-N 407.422 3.765 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587516893 GBBIEZJYZKITLV-UZUQRXQVSA-N 415.486 3.754 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC 587588248 QDTGQLAEFNXODW-JPYJTQIMSA-N 423.421 3.690 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 587767069 IIDJIOQETOFUDD-ZQWRNJAYSA-N 417.322 3.844 0 1 HHAF COc1cc(C)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799087 WDECHYQQDMXTLW-GIGQVBGESA-N 405.267 3.635 0 1 HHAF CCCCNc1c(NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 653689976 IRJDILLTZVIVSJ-HNNXBMFYSA-N 410.518 3.744 0 1 HHAF Cc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963024382 MZVLHQKENYCTRA-TUESTWPCSA-N 404.510 3.793 0 1 HHAF Cc1ccnc2c1CCN[C@H]2c1[nH]c2ncc(I)c-2cc1Cl 963085759 HHRYPVWEPVPSHA-OAHLLOKOSA-N 424.673 3.711 0 1 HHAF Cc1n[nH]cc1-c1cc(OCCN(C)C)c(C(=O)N[C@H](C)c2ccccc2)cc1F 1772597521 QFPRZTWQNKAKTH-OAHLLOKOSA-N 410.493 3.956 0 1 HHAF CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3)n12 1772652422 OXMFSNZRKNLRNH-UHFFFAOYSA-N 402.380 3.999 0 1 HHAF CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@](O)(C(C)C)C[C@@H]12 1857607674 AZFMSHDJGVYLPE-HRULMYSOSA-N 402.487 3.967 0 1 HHAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCC(Cc2ccccc2)CC1)c1ccco1 2356286032 KBWSMJCOXGKZOY-SMIHKQSGSA-N 421.585 3.675 0 1 HHAF CC1=C[C@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356301235 ZTRPCMZBZFZFGE-VWPQPMDRSA-N 410.562 3.985 0 1 HHAF Cc1ccc(S(=O)(=O)N[C@@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)cc1 2356301993 JMKUMQCZDNGOAA-LBPRGKRZSA-N 404.419 3.527 0 1 HHAF COc1cc([C@H]2Oc3cc(O)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)ccc1O 2356502029 USMHVDBYUBRDAM-HYBUGGRVSA-N 406.434 3.615 0 1 HHAF CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](COC(=O)c1ccccc1)C(C)C 2356816165 CYKHBJCXJDXSPW-BWAGFHJFSA-N 424.541 3.829 0 1 HHAF Cc1ccc([C@@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 4964972 DZXVAHAHKRRBFQ-NRFANRHFSA-N 420.538 3.551 0 3 HHAF C[C@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61926405 FKABBVCDLNNYHV-HSZRJFAPSA-N 421.884 3.511 0 3 HHAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61929237 XFRJIUQYYNHAOX-NRFANRHFSA-N 412.873 3.730 0 3 HHAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CC(C)(C)O2 756287 YKDIVEPKOQWENU-IFMALSPDSA-N 424.541 3.838 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N 767920 QZEZCFMOXLGNLG-GMAHTHKFSA-N 401.466 3.686 0 1 HHAF COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c(OC)c1OC 772576 MSOFXCYTYOJVKB-AEFFLSMTSA-N 418.877 3.546 0 1 HHAF CC1CCN(CCCNS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)CC1 4873461 XVLIMZRJOWJGBL-UHFFFAOYSA-N 412.559 3.630 0 1 HHAF COc1cc(CCc2cccc(O)c2)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](O)C2 14697304 ROBJEENLSUOGLU-DHLKQENFSA-N 422.477 3.937 0 1 HHAF biogenic C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C/C=N\OCCCN)CC[C@]12O 26472131 JUXAUMSSWUKZQG-BORYBBBYSA-N 404.595 3.783 0 1 HHAF COc1cc2c(cc1Cc1cccc(Cl)c1Cl)c(=O)c(C(=O)O)cn2CCO 38652881 ZXDMPBVTUADOPS-UHFFFAOYSA-N 422.264 3.598 0 1 HHAF COC(=O)[C@H]1Cc2ccc(OCCc3nc(-c4cccc(C)c4)oc3C)cc2OC1=O 40915935 DHWHGZTWBWPUBI-LJQANCHMSA-N 421.449 3.831 0 1 HHAF CN(Cc1cccc(O)c1)[C@@H]1CCN(c2cc(NC(=O)c3ccc(F)cc3)ccn2)C1 45227652 QZQGKLQXHFHTMR-OAQYLSRUSA-N 420.488 3.889 0 1 HHAF CCC[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 45255780 OHMAVAINSFOTRQ-QGZVFWFLSA-N 421.472 3.643 0 1 HHAF Cc1noc(N2CCN([C@@H](c3cccnc3)c3ccc(C(F)(F)F)cc3F)CC2)n1 72101520 IHSULLIOIVLTAX-SFHVURJKSA-N 421.398 3.843 0 1 HHAF CC(C)N(CCN)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181219 OCPGHSVFLOYRDX-CQSZACIVSA-N 409.374 3.975 0 1 HHAF CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 82068781 KZTKZMQLFSRNPC-VGSWGCGISA-N 408.506 3.839 0 1 HHAF Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCc2ccccn2)C(C)C)co1 82070342 SQLPXSLSKBNESC-FQEVSTJZSA-N 407.470 3.585 0 1 HHAF Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 82150427 AUHYFUJMJOAHEZ-UHFFFAOYSA-N 416.525 3.999 0 1 HHAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(C)CC1 95796137 JJIADWQFFYIUHW-HSZRJFAPSA-N 419.569 3.700 0 1 HHAF Cc1ccncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1 96174448 ZXALMPYTISRUAR-UHFFFAOYSA-N 413.481 3.874 0 1 HHAF COC(=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586920956 APABNWIORHKWSG-UHFFFAOYSA-N 406.463 3.990 0 1 HHAF Nc1ncc(Cl)nc1-c1nc2cc(Br)c(Br)cc2[nH]1 587086343 GJJHXHAVVRSDPJ-UHFFFAOYSA-N 403.465 3.781 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(Cc3cccc(NC(C)=O)c3)nc2c1 587242524 OPFWTCCLGFXOLE-UHFFFAOYSA-N 402.248 3.661 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nn4ccnc(O)c14)[C@@H](C2)C3=O 587435360 FHHFNHHHJVJYNT-HJPURHCSSA-N 413.433 3.908 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cc(C(=O)OCC)cn3)nc1)CC2=O 587474090 AXIHDOCULZETQP-FQEVSTJZSA-N 421.453 3.809 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587532921 QEUMRMULNLPWEO-YDFBLROQSA-N 404.528 3.984 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(cc1Cl)OCCO2 587545013 FYNXENCLWVLSNO-OXJNMPFZSA-N 411.797 3.915 0 1 HHAF Nc1cccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575097 AKCRNKSWFYGAMC-OFNKIYASSA-N 405.406 3.696 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 587769012 LXNBTVPJBMDKLM-ODXCJYRJSA-N 417.278 3.784 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796451 KGMFGEVCJYRNFV-GEDNVKPRSA-N 414.315 3.886 0 1 HHAF Fc1ccc(-n2cc(CN3CCN(c4noc5cc(Cl)ccc45)CC3)nn2)cc1 653708522 WPIGWNXVGCICHA-UHFFFAOYSA-N 412.856 3.523 0 1 HHAF COC(=O)[C@@H]1CC[C@@]2(C1)c1c(C)cccc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963863110 ONPWRFVVWYPUGU-SEPYTNNBSA-N 417.502 3.800 0 1 HHAF Cc1cc(CN(C)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O 1772576364 PRCIPENVSRNOHS-GOSISDBHSA-N 422.525 3.651 0 1 HHAF O=C(O[C@H](CF)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 1772583508 RMUFIRWXQYJQGM-CLWVCHIJSA-N 401.335 3.694 0 1 HHAF CNc1cc(C2(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)CC2)ncn1 1772643183 GFCJONRETLSHAV-UHFFFAOYSA-N 401.470 3.749 0 1 HHAF CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 1772647996 SVJIQLIAPHOASC-FSXKIHRRSA-N 412.574 3.728 0 1 HHAF COC(=O)[C@@H]1C[C@@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@@H]52)C4)[C@]31CC[C@@](OC)(C(C)C)OC1 2356396118 BJEDIGDSPYXOHZ-LYOSLQBBSA-N 417.590 3.713 0 1 HHAF C[C@@H]1C(=O)Nc2cc(O)cc(c2O)[C@@H](Cc2ccccc2C(=O)O)CC=CC=C[C@H]1O 2356821224 FYGPMYBAWHEWAO-CMPZQBNXSA-N 423.465 3.574 0 1 HHAF CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 61958672 LBFOYRDDABXURT-GOSISDBHSA-N 415.534 3.898 0 3 HHAF C(=C/c1ccccc1)\CN1CCN([C@H](c2nnnn2Cc2ccccc2)C2CC2)CC1 72136925 DROGBARIRNAJMD-SZIFGRNDSA-N 414.557 3.504 0 3 HHAF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(F)c3)cc2)no1 103250319 JCFRAPARGMDXAU-UHFFFAOYSA-N 423.853 3.758 0 3 HHAF COc1cc(OC)c([C@@H]2C[C@@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC 2914303 JFVYYFJOFRZNJW-HOTGVXAUSA-N 400.866 3.756 0 1 HHAF COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccc(OC)cc4)C3)C2)cc1 3956337 BQDOZQJLMGPQGW-XMMPIXPASA-N 423.513 3.864 0 1 HHAF CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCCOC 5414869 LDUHJQAKSSUGRN-GJZGRUSLSA-N 415.456 3.738 0 1 HHAF biogenic Cc1ccc2c(c1)OC[C@H](CN1CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC1)O2 27903126 YERPABGENYVQAD-KRWDZBQOSA-N 413.905 3.768 0 1 HHAF CCOC(=O)[C@H](Cc1ccc(OCCN(CC)c2cccc(C)c2)cc1)NC(C)=O 28708268 YDPROWZAWXPSPB-QHCPKHFHSA-N 412.530 3.511 0 1 HHAF Cc1ccccc1O[C@H](c1cccc(I)c1)[C@@H]1CNCCO1 28881119 GUJGIDDFMFZKIV-ZWKOTPCHSA-N 409.267 3.708 0 1 HHAF in-vivo Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCNCC1 29038346 DQXCPRDAVDPEBG-UHFFFAOYSA-N 411.556 3.787 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820788 MIHNUBCEFJLAGN-BENKZWDNSA-N 406.563 3.657 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2c(N[C@@H]3CCCNC3)cccc12 35285434 YWDRMIRBEKKNEW-MRXNPFEDSA-N 406.511 3.713 0 1 HHAF COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O 49111006 HNXLTRKVCREKER-LBPRGKRZSA-N 400.813 3.543 0 1 HHAF Cc1cc(C(=O)N2CCN([C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 72186088 SAEBHFMDSZRZHC-FQEVSTJZSA-N 414.868 3.718 0 1 HHAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 82136365 AVMJOUGYHCUWAO-HOTGVXAUSA-N 400.498 3.531 0 1 HHAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21 95597564 OBTIUCWWJXZKHI-UHFFFAOYSA-N 410.562 3.932 0 1 HHAF Cc1ccc2nc(NC(=O)NC(=S)n3c(C)nc4ccccc4c3=O)sc2c1 103246273 ORVVOTAWVAJSIE-UHFFFAOYSA-N 409.496 3.578 0 1 HHAF O=C1NCCN1CCNCCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592736 ZGKFNECQJUOYQP-UHFFFAOYSA-N 420.488 3.837 0 1 HHAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1 116824401 MBEKCIKDJYZYAN-PXNSSMCTSA-N 417.488 3.645 0 1 HHAF CC(C)(CCNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)O 146738756 FIJICXIAJJALHP-UHFFFAOYSA-N 419.437 3.835 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC[C@@H]1CC(C)(C)N([O])C1(C)C)O2 205778510 IOEUCWATYILOFJ-QMHKHESXSA-N 403.543 3.742 0 1 HHAF CCN(Cc1ccncc1)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2C)nn1 207417598 MUOAPSYAPDUUDM-UHFFFAOYSA-N 413.485 3.551 0 1 HHAF CN1CCN(c2ccc3cc(C(=O)Nc4ccc(F)cc4N)cnc3c2C2CC2)CC1 212352433 LVCPHIZMVPNXMG-UHFFFAOYSA-N 419.504 3.838 0 1 HHAF O=C(O)CN(Cc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(-c2ccccc2)cc1 473083641 CITYHDWRVGQQQP-UHFFFAOYSA-N 405.406 3.841 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(C)c2[nH]1 586937095 PGFHMGFPSPNOOB-OAHLLOKOSA-N 404.561 3.656 0 1 HHAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cnc3[nH]2)C[C@@H](C)O1 586969178 UMSQKVDSNLMKHA-CHWSQXEVSA-N 424.505 3.946 0 1 HHAF COc1cc(OC)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 587004403 UNFFXEFEWJLFOT-JTQLQIEISA-N 417.259 3.978 0 1 HHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)ncc3[nH]2)cs1 587013898 DFMNSGFNDOBADH-UHFFFAOYSA-N 410.297 3.869 0 1 HHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2nc(Cl)c[nH]c-2n1 587167215 IJTGFEHPWHGHKY-UHFFFAOYSA-N 409.855 3.626 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H](O)[C@@H](C1)N2Cc1ccccc1 587489610 UVPQXLZXEHBHFE-PNJCVGBRSA-N 407.510 3.847 0 1 HHAF COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 587606200 CGIPYFOZDWDXIV-NFBKMPQASA-N 406.390 3.875 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 587836506 VZTMBKIVUFXGBI-XNPNBVRTSA-N 420.278 3.906 0 1 HHAF CCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc2c1=O 587870041 TUKPDJSJBUZKOV-UHFFFAOYSA-N 415.375 3.692 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccncc3OC(F)(F)F)N12 962667553 NJBDTTQOEAFYFY-YLJYHZDGSA-N 417.387 3.716 0 1 HHAF C[C@@]1(c2ccc(Br)cc2N)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962714076 QDAHWTYSRPJGCE-NVXWUHKLSA-N 413.237 3.941 0 1 HHAF CN1Cc2c(C3=CCN(CC(=O)O)CC3)[nH]c3ncc(F)c(c23)-c2cc(F)ccc21 1772586524 WWXDJWZRVYVGGP-UHFFFAOYSA-N 410.424 3.632 0 1 HHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)[C@@H](OC(C)=O)C[C@H]1O 2356313372 WWTWMOCEEXXBQA-KGWSWXIGSA-N 410.551 3.702 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@H](C)[C@@H]2[C@@H]1O 2356871933 YMXPCHARRQQITD-DGKQICLZSA-N 412.574 3.523 0 1 HHAF CCCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCN(C(=O)C2(C)CC2)CC1 12726202 CUOYXEBLPQYINC-LJQANCHMSA-N 411.546 3.505 0 3 HHAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc4c(c2)OCO4)O3)c1 61895966 XIOXBDZBGIXBFR-OAQYLSRUSA-N 402.406 3.622 0 3 HHAF CCOC(=O)C1=CC[C@@H](c2cc3ccc(OC)cc3n2C(=O)OC(C)(C)C)NC1 95566493 FKLOABSRLJRGDN-KRWDZBQOSA-N 400.475 3.957 0 3 HHAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4052660 DFRUECFLRCCPCX-HKUYNNGSSA-N 404.869 3.706 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCOC)cc1 4055377 SXCJTSCDBSVKAS-FPOVZHCZSA-N 416.905 3.983 0 1 HHAF CC(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccc(-n3cccn3)cc2)c(C)o1 11969451 DVISCWZGNFWFBR-UHFFFAOYSA-N 415.453 3.724 0 1 HHAF NC(=O)C1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(F)cc4)cn23)CC1 20490388 SBNBMVDRERKMPI-UHFFFAOYSA-N 422.485 3.693 0 1 HHAF COc1nc(NCCc2c[nH]c3ccccc23)nc(Nc2ccc3[nH]ncc3c2)n1 34230695 NSJQROISOSHTBB-UHFFFAOYSA-N 400.446 3.636 0 1 HHAF in-vitro CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@@H]3CC[C@]12C 40676926 ZMAIFLOHRXCDQS-ZHQOXGDYSA-N 418.622 3.959 0 1 HHAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(NC(C)=O)c3)n2n1 40913935 KUFJMJTXKVQUFE-UHFFFAOYSA-N 415.457 3.558 0 1 HHAF COc1cc2nc(N(C)Cc3ccccc3)nc(NC[C@H]3CCCO3)c2cc1OC 82125080 CJCDTSUTANUQCR-QGZVFWFLSA-N 408.502 3.874 0 1 HHAF Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 84708469 VQFSMIZJZKBHKC-DEOSSOPVSA-N 419.569 3.611 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]2C1 96169497 LMSUQMJAMATPBV-DOMZBBRYSA-N 400.397 3.805 0 1 HHAF Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c2ccccc21 100633207 SMBXZRPOITXFSE-RDTXWAMCSA-N 405.523 3.852 0 1 HHAF COc1ccc(C2(c3ccc(OC)cc3)NC(=S)N(C3CCCCC3)C2=O)cc1 103242621 LZAYYXZPOHASKW-UHFFFAOYSA-N 410.539 3.997 0 1 HHAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4F)nn23)C1 143887469 KWQWZDJFPORDSD-HNNXBMFYSA-N 403.465 3.602 0 1 HHAF O=C(O)CCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144883460 SAACRTSPFCAMHP-IBGZPJMESA-N 406.335 3.943 0 1 HHAF O=S1(=O)Cc2ccccc2CN1C[C@H](O)Cn1c2ccccc2c2ccccc21 148547924 AFRWOTVJIJLNBL-IBGZPJMESA-N 406.507 3.501 0 1 HHAF CCS[C@@]12C[C@@H]3c4cccc5c4[C@@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O 195516190 PSORSYJKNJMUHN-SLXODSOVSA-N 420.534 3.956 0 1 HHAF CCO[C@H]1O[C@@H]2c3cc(OC)c(OC)cc3CCN(C)[C@@H]2c2ccc3c(c21)OCO3 238773285 RKQVXLPPJBJDNJ-XPNTWCBSSA-N 413.470 3.768 0 1 HHAF CCOC(=O)c1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1 254092509 JRYNLODJMAKSHC-QAQDUYKDSA-N 408.506 3.640 0 1 HHAF CCN(CC)C(=O)c1ccc(-n2cnc3onc(-c4ccc(OC)cc4)c3c2=O)cc1 299866723 WKXHRLRVAZAFLC-UHFFFAOYSA-N 418.453 3.531 0 1 HHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586881512 GRPGVGJONCMEJH-UHFFFAOYSA-N 415.453 3.551 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(Br)cc1OC)[C@@H](C2)C3=O 587414945 ZECXXYADWCJPSB-BUXKBTBVSA-N 405.244 3.964 0 1 HHAF C[C@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578880 BRVWXVABUWVNJN-XUZZJYLKSA-N 413.433 3.909 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2COC(=O)C2)N1 587833314 FVNRLEGAUMDVTQ-RAJNIJHNSA-N 404.279 3.929 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 587840055 HRNYOWUXSWBMAD-OVWNDWIMSA-N 404.235 3.727 0 1 HHAF CCOC(=O)C[C@]1(c2cc(F)ccc2Br)NCCc2ccc(O)cc21 963354654 XSNPYRGUCMOZQS-IBGZPJMESA-N 408.267 3.636 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](N[C@H](CO)C(C)C)(c1ccccc1)C(=O)N2 1772576016 HUSZVVFPYFRMAR-QPPBQGQZSA-N 405.498 3.761 0 1 HHAF CNC1CCC(n2cc(-c3ccc(Cl)c(NC(=O)c4coc(=N)[nH]4)c3)cn2)CC1 1857548022 GFAQNRRCYHDIBH-UHFFFAOYSA-N 414.897 3.559 0 1 HHAF CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)N(C)C(=O)N[C@@H]1c1ccccc1 1857653880 QETZXMNIWFCSDV-LJQANCHMSA-N 422.510 3.869 0 1 HHAF FC1=CN=C2NC1=Nc1cccc(c1)NC1=NC=C(F)C(=Nc3cccc(c3)N2)N1 1857749498 PVGSLRDBLGROFF-UHFFFAOYSA-N 404.384 3.824 0 1 HHAF CCc1nn(C)c2c1CC[C@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857751424 DJONXXKIQRNZNP-INIZCTEOSA-N 404.493 3.531 0 1 HHAF COCCCN1CCC(CNC(=O)c2cccn3c(Cl)c(C(C)C)nc23)CC1 1857763335 CUTFDGRELBQGGV-UHFFFAOYSA-N 406.958 3.589 0 1 HHAF O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CC[C@@H](c2ccc(F)cc2)C1 12439278 ZAARVYFQWAENCI-MRXNPFEDSA-N 409.417 3.553 0 3 HHAF CC(C)N1C[C@@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1C(=O)c1ccco1 61920877 VAWMTIFBMPYRPL-IBGZPJMESA-N 407.392 3.943 0 3 HHAF O=C1Nc2ccccc2CN1CCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 12356379 GJYKVQRJNCOILI-HXUWFJFHSA-N 407.514 3.976 0 1 HHAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1 13560123 DNICHAOWVIITAI-UHFFFAOYSA-N 424.372 3.825 0 1 HHAF CN1CCc2ccccc2[C@@H]2c3cc(O)c(I)cc3CC[C@@H]21 13799787 IVGSTXXJKUDQDU-PKOBYXMFSA-N 405.279 3.931 0 1 HHAF COc1ccc(NCCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)c2ccccc2)cc1 14971321 IKGMFBPZPYFXCZ-QHCPKHFHSA-N 417.509 3.703 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 27210145 ZNCGEILXPSPINR-OAQYLSRUSA-N 410.470 3.691 0 1 HHAF CCCCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 38939359 NMELGMVWAQXJBX-UHFFFAOYSA-N 415.509 3.876 0 1 HHAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCCC1)c1ccc(C(F)(F)F)cc1 43527046 RZBGEYNTIZUXMF-WSTZPKSXSA-N 409.496 3.632 0 1 HHAF biogenic Cc1onc(NC(=O)N2CCN(c3nc(-c4cccc(F)c4)cs3)CC2)c1C 95584563 RFPROTRWFXNCDW-UHFFFAOYSA-N 401.467 3.908 0 1 HHAF CS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccncn2)c1Cl 96174600 XJNXDPBTZPNVPO-UHFFFAOYSA-N 407.858 3.575 0 1 HHAF O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@@H](c5nc6ccncc6[nH]5)[C@@H]3O4)ccnc2N1 150320482 QTUSAODLDZOJAR-PWRODBHTSA-N 411.421 3.672 0 1 HHAF O=C(Nc1ccc(Cl)nn1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 169310042 HSYQYYDGTYEWKR-UHFFFAOYSA-N 423.281 3.837 0 1 HHAF COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4ccon4)cn3)c2c1 201579768 VGJIHNMZBNVGRL-UHFFFAOYSA-N 418.413 3.511 0 1 HHAF CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C[C@H](c2ccccc2)C1 261185119 XEOMUEXWMYJZJS-LEWJYISDSA-N 411.509 3.843 0 1 HHAF CCCCN(CCCC(=O)O)C(=O)[C@@]1(C)CCN1C(=O)c1csc2ccccc12 299832661 KCGIACZGGGVCAD-JOCHJYFZSA-N 416.543 3.999 0 1 HHAF C[C@H]1Cn2c(nnc2-c2cccc(F)n2)CN1C(=O)c1cccc(Cl)c1Cl 474607050 IITDXWDZXDVZRA-JTQLQIEISA-N 406.248 3.831 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 586937696 MOGYZPSPIFVFJN-INIZCTEOSA-N 407.879 3.590 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2F)c1 587143499 GDHKZUBJHKTZMK-UHFFFAOYSA-N 413.796 3.550 0 1 HHAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587234726 IIIWXPBALLUGJD-CHWSQXEVSA-N 400.276 3.754 0 1 HHAF Cn1ccnc1[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340433 HRPWWAMIHBJAOH-QPPBQGQZSA-N 422.456 3.946 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587357365 NDNCATYUDLYRQX-UPVQGACJSA-N 422.408 3.549 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)O2 587393405 HZXWIENOMFRREW-SAHWJRBASA-N 410.514 3.772 0 1 HHAF O=C1C[C@@](C(=O)O)(c2ccc(Br)cc2O)Oc2c1ccc1c2CCCC1 587495253 BXPKNTGHKTUUAQ-FQEVSTJZSA-N 417.255 3.979 0 1 HHAF COC(=O)c1ccc(C=O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595792 TVVNLXQAIAQDSA-KNQAVFIVSA-N 404.374 3.694 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccccc12 587840052 HRNYOWUXSWBMAD-APBUJDDRSA-N 404.235 3.727 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccn(C)n2)n1 587862920 LKTKLGHDFJNWSW-UHFFFAOYSA-N 400.364 3.757 0 1 HHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(Br)c(O)c(OCC)c1 617980973 XDUYLRBJCMNKIZ-MLJWKTOOSA-N 415.309 3.750 0 1 HHAF Cn1ncc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1-c1ccccc1 962967431 NDSTVMUKZIATFC-MAUKXSAKSA-N 403.816 3.707 0 1 HHAF COc1ccc(OC)c([S@@](=O)c2ccccc2[C@@H]2NCCc3c(C)ccnc32)c1 963071332 QTFPUKLZWDDBED-IADCTJSHSA-N 408.523 3.809 0 1 HHAF CC(C)CCCCCCC[C@@]1(O)C=C[C@H]2N(CCCCCNC(=N)N)CCCN21 2356849229 PUAXGUFEEOLOPY-JTHBVZDNSA-N 407.647 3.619 0 1 HHAF COC(=O)[C@H](Cc1ccccc1)N[C@H](c1ccc(OC)cc1)[C@@H](O)Cc1ccccc1 199724552 VTSDTUUVHIGYFP-CCDWMCETSA-N 419.521 3.714 0 3 HHAF COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1 3966373 OBEJFOHWQWJNIL-OAQYLSRUSA-N 405.454 3.796 0 1 HHAF COC(=O)c1ccccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 7096754 DKGNMMIWARIHBU-HNNXBMFYSA-N 410.495 3.868 0 1 HHAF biogenic COc1cccc(C(=O)OC[C@@]2(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O2)c1 13704093 LPMUMWAFCAHQNA-MPDXVOLHSA-N 404.503 3.775 0 1 HHAF CCCc1ncc(C(=O)O)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1 13832787 RPOYAAGHAQAESE-UHFFFAOYSA-N 415.457 3.587 0 1 HHAF C[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccc(O)cc1 27559137 KOYJFOQYVCNACC-XHNVNVPESA-N 410.558 3.835 0 1 HHAF Cn1cc([C@@H](C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21 28604318 MROJOEUYLONABH-BLGFXRMMSA-N 422.780 3.977 0 1 HHAF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 34323437 YSNICWIWJRABSY-UHFFFAOYSA-N 403.482 3.827 0 1 HHAF CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)COc1ccccc1 40584961 DCXHWSUJNSPTEF-QGZVFWFLSA-N 400.862 3.820 0 1 HHAF Cc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(N2CCOCC2)n1 84741183 XPWZATMSONQRLE-UHFFFAOYSA-N 412.925 3.737 0 1 HHAF CCc1cc(=O)c2ccc(OC)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 102002867 CJQLHACJLUIDFU-GOTSBHOMSA-N 414.454 3.529 0 1 HHAF C/C1=C/CC2=C(C(C)C)CC(=O)O[C@]2(C)CC/C(C)=C2/OC(=O)[C@@H]3[C@H]2[C@@H]1O[C@]3(C)O 154416995 YAEXNKPEJYCROB-RDIKRESBSA-N 416.514 3.945 0 1 HHAF Cc1ccc(Cn2c(Nc3ccc(OC(C)C)cc3)nc(=O)n(C(C)C)c2=O)cc1 200508175 SFHXKQUAZHFZDZ-UHFFFAOYSA-N 408.502 3.873 0 1 HHAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212162950 BRFMOZPEZJWLFY-UHFFFAOYSA-N 400.479 3.609 0 1 HHAF CNC(=O)c1cccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c1 219765741 LOVHZXXVPOUGHV-XMMPIXPASA-N 416.521 3.511 0 1 HHAF COc1ncc(C)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225106902 PSTNFFOXSFKROJ-UHFFFAOYSA-N 412.496 3.871 0 1 HHAF CN1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 299863330 KYMYJVPSHHTUJR-UHFFFAOYSA-N 421.522 3.666 0 1 HHAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 586915250 KCCIJAMXUDSIHE-UHFFFAOYSA-N 411.215 3.835 0 1 HHAF N[C@@H](N=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 586999520 FIPMSGZVFRNGTL-HNNXBMFYSA-N 415.203 3.528 0 1 HHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 587053013 YPASAWSTVLYJDJ-SECBINFHSA-N 402.079 3.975 0 1 HHAF Cc1ccnc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 587107604 CXEYOKVDDCJXIC-ZDUSSCGKSA-N 410.421 3.811 0 1 HHAF NS(=O)(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110326 RLFJQPXXIRYVLK-UHFFFAOYSA-N 423.338 3.839 0 1 HHAF C[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C=C(c2ccccc2F)NO1 587158251 VZPUNUHVABQWPO-JOCHJYFZSA-N 418.432 3.552 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 587193547 LKQOIPAYUQKVCZ-UHFFFAOYSA-N 415.877 3.522 0 1 HHAF COc1ccc(I)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587388015 ZAJHCPINLXBMNI-MRXNPFEDSA-N 409.223 3.897 0 1 HHAF CCOC(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590435 YIXIWIVDPZMOOS-OFNKIYASSA-N 405.406 3.598 0 1 HHAF C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619788 ZHAZHAURYSQOOD-DCLXLUIPSA-N 402.402 3.894 0 1 HHAF Cc1cc(=O)oc2cc(O[C@H](C)C(=O)n3ncc4ccc(Cl)cc4c3=O)ccc12 587652663 YBKDRIUXHKIEAS-GFCCVEGCSA-N 410.813 3.572 0 1 HHAF COCCCN1CCc2ccc(OC)cc2[C@@]1(CC(=O)C(F)(F)F)c1ccncc1 961324936 OMXXJICDIIXAKG-OAQYLSRUSA-N 422.447 3.750 0 1 HHAF Cc1nn(C(C)C)c(C)c1[C@@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962627152 FEUVELGDFGGGEJ-AUUYWEPGSA-N 411.424 3.842 0 1 HHAF COc1ccc(O)cc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962920215 DIMYYKMOQSWTCV-URXFXBBRSA-N 421.449 3.761 0 1 HHAF CC(=O)CC[C@@H]1C(=O)CC[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963178252 JKMANERGBBTAQX-PZDGAKPMSA-N 417.811 3.501 0 1 HHAF O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccccc2)C1=O 1772589541 VVGXAQLQLHEZHA-HNNXBMFYSA-N 405.281 3.689 0 1 HHAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772592653 QFMHZXJZAJVBFJ-YOKBYHGQSA-N 418.481 3.763 0 1 HHAF O=c1[nH]c2nonc2nc1Nc1cccc(OCc2ccc(C(F)(F)F)cc2)c1 1911575538 ZMILJWZAAZXNPJ-UHFFFAOYSA-N 403.320 3.648 0 1 HHAF CCCCC[C@@H](O)C[C@@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O 2356352138 NSTQDXIOQMRTQA-TZIWHRDSSA-N 407.551 3.719 0 1 HHAF O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cc(F)ccc2F)cc1 201472939 SCZXXBHXADEAFZ-QGZVFWFLSA-N 424.403 3.787 0 3 HHAF COc1ccc(N[C@@H]2C(c3ccc(OC)cc3)=Nc3ccccc3-n3nnnc32)cc1 206052574 HCXQSBBTSKGWLW-JOCHJYFZSA-N 412.453 3.967 0 3 HHAF O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cccc(F)c1F 12192604 HHKXJDFBTDAIPS-NRFANRHFSA-N 406.860 3.906 0 1 HHAF Cc1nc(C)c(CN2CCC[C@@H]2c2ccc(C(=O)Nc3ncn(C)n3)s2)s1 23145904 VYBSEOQPLUQHOH-CYBMUJFWSA-N 402.549 3.539 0 1 HHAF CC[C@H](CO)Nc1nc(Nc2cc(Cl)cc(C(=O)O)c2)c2ncn(C(C)C)c2n1 40874866 IMZZUMBNDFKBPB-CYBMUJFWSA-N 418.885 3.685 0 1 HHAF COc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 70459604 LPELYGMVUPRRJI-UHFFFAOYSA-N 405.479 3.862 0 1 HHAF COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)ccc1O 82179550 BOUNIWVPPGDNJJ-UHFFFAOYSA-N 416.485 3.667 0 1 HHAF CCOc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](C)CN3)cc1 82211798 UUZBQSBCIXBJMF-INIZCTEOSA-N 412.534 3.588 0 1 HHAF C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccccc4F)nc3)cc2)CCN1 95598479 NKDNKOLGYYCQLE-SFHVURJKSA-N 418.516 3.958 0 1 HHAF Cc1oc(C(C)(C)C)nc1COc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101588322 WWKZTRIJOLBMRO-CIEDQVTBSA-N 403.475 3.866 0 1 HHAF COC(=O)C[C@H]1C(=O)O[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1COC(C)=O 140345710 PPHCXQBJUPKZTK-MQVFHWGISA-N 408.535 3.903 0 1 HHAF CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 169290783 GZTRBGOKFUFZBR-DHCSEZIXSA-N 416.514 3.657 0 1 HHAF CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 169688626 KDZMTMYRXNYKBE-IRXDYDNUSA-N 410.451 3.599 0 1 HHAF C[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O 169703340 GCLKTSMYGMLECP-GANZUKCXSA-N 423.513 3.637 0 1 HHAF COc1ccc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc1OC 238763060 HOCAAINDJYNCFZ-ZYNNUQKQSA-N 402.443 3.502 0 1 HHAF CCOC(=O)[C@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 261157073 QDFJWQQNNXWJLH-XMSQKQJNSA-N 401.528 3.527 0 1 HHAF COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccco5)c(=O)n4n3)ccc2c1 299856003 BLHYPCIPPABVJS-CQLSMYGBSA-N 403.463 3.605 0 1 HHAF COC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2n1 587166494 UJCFJGGQBXTVCM-UHFFFAOYSA-N 407.430 3.851 0 1 HHAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(O)c1 587240650 NGNSNGYRCFSNJD-UHFFFAOYSA-N 423.523 3.793 0 1 HHAF COc1ccc(C2(c3ccc(OC)cc3O)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587399037 IDAHPFXWCVDJHJ-UHFFFAOYSA-N 421.449 3.915 0 1 HHAF COc1cc2c3c(c1)O[C@@H](C1(c4cccc(Br)c4)COC1)[C@@H](C2)C3=O 587419940 VGOYNGANDNKWSL-HNAYVOBHSA-N 401.256 3.542 0 1 HHAF CC(C)(C)OC(=O)[C@]1(C2=COCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614026 BILDDBRCHHJBOH-FDDCHVKYSA-N 410.422 3.739 0 1 HHAF O=C(c1[nH]c2ccccc2c1Br)n1ncc2ccc(Cl)cc2c1=O 587651292 PZAMSZZQIZTBIA-UHFFFAOYSA-N 402.635 3.982 0 1 HHAF COc1ccccc1N1CCN(c2ncnc3c2cnn3[C@H](C)c2ccccc2)CC1 653723593 YXCLYEYNTSZAEF-GOSISDBHSA-N 414.513 3.771 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(=O)c3ccccc3[nH]2)N1 963180361 PWNAMPAFSZJTCQ-KSSFIOAISA-N 422.790 3.889 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1 1772646788 LECXROOYHDFXDA-FQEVSTJZSA-N 411.889 3.954 0 1 HHAF O=c1c2c(n(C3CCCC3)c(=O)n1Cc1ccccc1)CCN(Cc1ccccc1)C2 1857611121 BFCJFKRFFRBOON-UHFFFAOYSA-N 415.537 3.732 0 1 HHAF Cc1nc(-c2ccccc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 1857640123 DBKGUYHWHYTMGG-UHFFFAOYSA-N 403.481 3.556 0 1 HHAF O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 263591642 IBBIDRLVXCGALA-GFJWOESLSA-N 422.528 3.786 0 3 HHAF COCCN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1c[nH]c2ccccc12 4922119 OIAFANMNBMBJDZ-FCHUYYIVSA-N 405.498 3.620 0 1 HHAF O=C(O)COc1cccc2c1C[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)C3CCCCC3)[C@H]1C2 6093835 UVTYVOJZXZTZHN-PLJZGSKRSA-N 402.531 3.583 0 1 HHAF O[C@@H](CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccccc12 13491138 KPJPDPHSTNUEQY-FQEVSTJZSA-N 410.539 3.918 0 1 HHAF CCCCCCOc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 13725137 KEAPEQBCDVILQF-IBGZPJMESA-N 423.473 3.924 0 1 HHAF Cc1ccc2c(c1)c(C(=O)[C@@H]1CS[C@@H](c3cccnc3)N1)c(C)n2C(=O)N(C)C 13737528 DRTJMPXMIBMRRV-UWJYYQICSA-N 408.527 3.769 0 1 HHAF O=C(CSc1nc2ccccc2s1)NC[C@H]1CCCN(Cc2cccnc2)C1 28231601 FRBIYZUNAFRFHW-QGZVFWFLSA-N 412.584 3.812 0 1 HHAF CCCCOC(=O)c1ccc(Nc2ncc3[nH]c(=O)n(-c4ccccc4)c3n2)cc1 29042841 XQFMYNYYZQADEK-UHFFFAOYSA-N 403.442 3.809 0 1 HHAF COc1c(F)cc(Nc2ncc3c(n2)N(CCC(C)C)[C@H](C)C(=O)N3C)cc1F 33359420 RWEADUGOFUHUKR-GFCCVEGCSA-N 405.449 3.724 0 1 HHAF CC1(C)C=C(C(=O)NCCCNCc2cccc(OCc3ccccc3)c2)C(C)(C)N1 40466962 HXZLLKRMVYDVOY-UHFFFAOYSA-N 421.585 3.948 0 1 HHAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)NC2CCCC2)C1)N1CCCC1 72178188 WTAYQRJTVWIWEB-VGOFRKELSA-N 418.541 3.682 0 1 HHAF CCCCc1cc(-c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)nc(N)n1 116226869 ZIZZRQUDLPLGFQ-UHFFFAOYSA-N 416.533 3.733 0 1 HHAF C[C@@H](Oc1cc(-c2cn(C)nc2C(F)(F)F)cc2ncccc12)[C@H]1CNC(=O)C1 147831081 HSCNJCJFJLKFIZ-DGCLKSJQSA-N 404.392 3.558 0 1 HHAF COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 169709710 FXFMMZOPLKUNEJ-KBXCAEBGSA-N 421.444 3.800 0 1 HHAF Cn1ccc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)n1 299857414 CVAQZYOCBCRQNZ-UHFFFAOYSA-N 421.932 3.909 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cc1 586931295 PVWXIHOIGUSJRO-UHFFFAOYSA-N 421.522 3.898 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095351 FHOKPBOIXFIFCO-UHFFFAOYSA-N 412.437 3.861 0 1 HHAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(O)ncnc4[nH]3)nc2n1 587115265 QDWCHVYPCXFUGE-UHFFFAOYSA-N 409.397 3.524 0 1 HHAF COC(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1OC 587217699 DQMJQLULNMHHKK-LJQANCHMSA-N 415.449 3.878 0 1 HHAF CCc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358206 WEXOMXVYWIIBOV-QPPBQGQZSA-N 408.425 3.659 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)NCc3ccco3)cc1)O2 587387680 RSWKSOAKKBHVFK-OAQYLSRUSA-N 406.438 3.572 0 1 HHAF CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587395865 VHNPADNPPHUAIV-HSZRJFAPSA-N 422.437 3.660 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O 587448286 HXTDALUVWSSDGN-RDPSFJRHSA-N 420.486 3.790 0 1 HHAF C[C@@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581589 WINOLMXYTDMOOY-REWPJTCUSA-N 405.406 3.623 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C2=O 587584611 ZHQVMAJOYSQION-GBXCKJPGSA-N 401.418 3.525 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C2=O 587584613 ZHQVMAJOYSQION-RDPSFJRHSA-N 401.418 3.525 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(C1CCOCC1)C1CCOCC1 587608119 JVHASQSQLHQRQR-OAQYLSRUSA-N 410.466 3.946 0 1 HHAF C[C@@H]1CN(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 587661615 SMXJHKWRSUUYCH-BRWVUGGUSA-N 423.488 3.588 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(F)ccc2F)N1 587722255 XPSKXKAUZSHXEL-RBHXEPJQSA-N 400.194 3.729 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cn(C)c3ccccc23)N1 587759820 VVRBQHFPSGGICQ-PRWKNARSSA-N 417.278 3.942 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 587839545 HPKSOWDXPNDKMF-BMLIUANNSA-N 413.312 3.583 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1cc(Cl)cn1 587868653 QVKODVNVNJRZEB-JTQLQIEISA-N 413.787 3.799 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1ccc(N3C[C@H](C)O[C@H](C)C3)o1)N(C)[C@H](C)C2 962635823 UVRJKQMRCNTWPF-HCROLABASA-N 400.519 3.876 0 1 HHAF C[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C[C@H]1O 1772636480 VOCREZZJJXIVFU-KPZWWZAWSA-N 417.387 3.894 0 1 HHAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F 1857534994 WFCHHXVLANCDFV-NRFANRHFSA-N 409.461 3.687 0 1 HHAF CCn1c([C@@](O)(c2ccccc2)c2ncccc2F)nc2ccc(CCCO)cc21 1857602910 XPCJBGYYJHUGSC-XMMPIXPASA-N 405.473 3.799 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc3ccc(-c4ccc(=N)[nH]c4)cc23)C1 1857757670 IYQDHTCYPBLHMP-INIZCTEOSA-N 406.490 3.526 0 1 HHAF CS(=O)(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1857758289 GDYDRQVQNPLRSD-UHFFFAOYSA-N 423.943 3.814 0 1 HHAF F[C@H]1CN(Cc2cccc(OC(F)(F)F)c2)C[C@@H]1OCc1nc2cnccc2[nH]1 2356301979 JEIKRIJBJMROOQ-YOEHRIQHSA-N 410.371 3.596 0 1 HHAF COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 36388496 MQHRJWVLJBJHDK-WMLDXEAASA-N 424.419 3.868 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCN(CC)CC 4049111 JFHKUZRNTWPNKX-GGAORHGYSA-N 409.530 3.635 0 1 HHAF CSc1ncccc1C(=O)NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 11966131 GIWQDOFCVFMWKL-CQSZACIVSA-N 412.902 3.647 0 1 HHAF COCCc1nc2ccc(C(=O)N3CCC([C@H](O)c4cccs4)CC3)cc2o1 12587952 SDFKXKFLVDULJH-FQEVSTJZSA-N 400.500 3.664 0 1 HHAF CCN(CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C)c1ccccc1 13832075 OUBZPOZJZSLSFL-UHFFFAOYSA-N 408.498 3.843 0 1 HHAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(-c3cccc(C(F)(F)F)c3)cnc21 27705541 MWLLNKCSJATPLU-UHFFFAOYSA-N 411.383 3.829 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(C(=O)CCN3CCCCC3)cc1)C2 40866164 MATSOBDAASYNOA-DEOSSOPVSA-N 423.509 3.949 0 1 HHAF O=C1CN(Cc2ccccc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 95866225 RXASKZNMLSGTDG-KYPHJKQUSA-N 416.496 3.664 0 1 HHAF CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 101853432 PMJIUNUHZLTRMR-IMAQQZIHSA-N 401.507 3.641 0 1 HHAF Cc1nc(N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc(-c2ccc3ccn(C)c3c2)n1 142177722 IAJLTOCSBPKSDN-AWEZNQCLSA-N 421.526 3.764 0 1 HHAF C[C@H]1[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C[C@@H]2C[C@H]1C2(C)C 169729814 AGIGZQHXZXQTFQ-AETAKHFUSA-N 402.922 3.855 0 1 HHAF Cc1ccc(-n2nc(C3CCC(=O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1 202254345 DXHPEJBUHFTZPA-UHFFFAOYSA-N 414.469 3.702 0 1 HHAF CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)[C@@H](C)CCNC5=O)cnc21 218248791 LXFZTTYAMRZTIF-AWEZNQCLSA-N 416.485 3.914 0 1 HHAF CCCc1ccc(Nc2ncnc3cc(OC[C@H]4CNCCO4)c(OC)cc23)cc1 299824389 KWIGSMVYZIYALQ-GOSISDBHSA-N 408.502 3.702 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 299887009 YEBWVORVAAIZRK-SCKYDACGSA-N 404.595 3.926 0 1 HHAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3Cc4c(cc(O)c5c4C[C@@H](O)CC5=O)O[C@@]3(C)CC[C@@H]12 473124839 PSTLLZRFPVSVAC-TWJITQDPSA-N 412.526 3.997 0 1 HHAF Cc1cc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880999 SDCDRVLSGFNSKC-UHFFFAOYSA-N 407.451 3.551 0 1 HHAF CN1CCN(c2ccc3[nH]c(-c4cc(-c5ccc(F)c(F)c5)nn4C)nc3c2)CC1 587147886 CKAQNSQATOXBCF-UHFFFAOYSA-N 408.456 3.660 0 1 HHAF COC(=O)c1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cn1 587153946 FVOKVDBMDHVCPJ-UHFFFAOYSA-N 420.400 3.568 0 1 HHAF Cn1ccnc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336731 AKMVDDMJIZJAFK-ZJSXRUAMSA-N 415.424 3.963 0 1 HHAF CCC[C@@]1(CC(=O)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346964 KGHGBYSNSALSLO-OFNKIYASSA-N 414.429 3.951 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 587349706 VLGCLKWYSWMYFM-XXBNENTESA-N 418.380 3.747 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)[C@@H](C2)C3=O 587453238 XROZJZBBLXLUFV-YADARESESA-N 402.402 3.790 0 1 HHAF COC(=O)[C@@]1(O)Cc2cc(Cl)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587500625 MOPCWUFPANPPKK-GOTSBHOMSA-N 412.869 3.540 0 1 HHAF Cc1n[nH]c(C)c1CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657894 GCOXJZBJRNGVRQ-UHFFFAOYSA-N 408.408 3.955 0 1 HHAF CCO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC 587701412 CUBJSKDHWVTMPZ-IYIHVLAISA-N 411.237 3.977 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 587723037 UVUFQJRNFQTFEL-VVVCHXIZSA-N 416.241 3.589 0 1 HHAF CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587755523 ASVYPYDGRAYTHB-NRKGENKXSA-N 423.326 3.633 0 1 HHAF CNC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)NC2(CC2)Cc2ccc(Br)cc21 961617214 UJVIFZPOCJJLAQ-JOCHJYFZSA-N 424.342 3.907 0 1 HHAF CC(C)c1nn(C)c2c1[C@@]1(CCN(Cc3ccccc3)C[C@H]1C(F)(F)F)NCC2 962915999 WJPOHDFGLIBYTC-NQIIRXRSSA-N 406.496 3.969 0 1 HHAF COc1ccc2c(c1)[C@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)N[C@H]1CC[C@@H]21 962995410 NIKRZRBRUVSUEG-FMKFIRIRSA-N 421.453 3.633 0 1 HHAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc12 1772574855 AYLVXKWWEPHVOB-UHFFFAOYSA-N 407.558 3.672 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@@H]2CCOC2)cc1F 1772626246 CQELORVDHHELML-SNVBAGLBSA-N 405.904 3.575 0 1 HHAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cnc5ccccc5c4)c(=O)n1c23 1857581220 ZZRYFDDXYPYZLC-CYBMUJFWSA-N 417.440 3.832 0 1 HHAF Cc1onc(-c2ccccc2)c1-c1cc[nH]c(=NCCCNC(=O)OC(C)(C)C)n1 1857769509 QHRABMXAFXHQSS-UHFFFAOYSA-N 409.490 3.856 0 1 HHAF CCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCCCCC2)=C1C 199200705 LDMOTKQIDOBSIJ-LJQANCHMSA-N 417.594 3.761 0 3 HHAF CC(C)(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 2909049 DMTWCGXNMMNVIX-UHFFFAOYSA-N 416.524 3.942 0 1 HHAF COc1ccc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)c1O 14648411 MPUOEJUQPBUYGD-AWEZNQCLSA-N 400.427 3.688 0 1 HHAF biogenic CCCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 26951197 WFDKLRYVPBVLDQ-ZCNNSNEGSA-N 411.546 3.856 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4cc(F)ccc43)CC1)C(=O)C2 27309350 OHUVWMVXSQSNNS-UZUQRXQVSA-N 417.546 3.911 0 1 HHAF CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CN)cc2)cc1 49014192 AGUXGNJNKDLAHB-UHFFFAOYSA-N 404.536 3.648 0 1 HHAF CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 53246210 HJPQWOMFLXBLKB-UHFFFAOYSA-N 408.590 3.983 0 1 HHAF C[C@H](C(=O)NC/C=C/c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73221766 KQYXUQFLEXRBOR-OOPCZODUSA-N 410.898 3.784 0 1 HHAF C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211163 JYLUNZCCPDUWRA-HNNXBMFYSA-N 418.522 3.872 0 1 HHAF COc1cc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)cc(OC)c1OC 95755609 HKWZDYVUXFPJBZ-UHFFFAOYSA-N 404.444 3.902 0 1 HHAF CCCn1cc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103242942 YTLFZEMWXNXCHP-UHFFFAOYSA-N 406.509 3.921 0 1 HHAF CN1C(=O)[C@]2(N=C1N)c1cc(CCC3CC3)ccc1OC21CCc2ccccc2CC1 201252655 RSUVVFIJINCLKH-AREMUKBSSA-N 415.537 3.721 0 1 HHAF COc1ncccc1[C@H]1NC(=O)NC(C)=C1c1nc(-c2ccc(C#N)cc2)cs1 206338511 ZIPSONCPHCHXKA-GOSISDBHSA-N 403.467 3.870 0 1 HHAF COc1cncc(-c2cc(Nc3cccc(N4CCC[C@@H]4C)n3)c3nccn3n2)c1 207417716 QBQRHYIINOYUCE-HNNXBMFYSA-N 401.474 3.927 0 1 HHAF COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1nnc(-c2ccccc2)o1 299819048 BBNLWZOPQBRAEK-MHWRWJLKSA-N 409.423 3.648 0 1 HHAF CN(CCCCCCCCNCCCCCCCCNC(=N)N)C(=N)NCC1CC1 299826386 FXEXCJTYROHIIR-UHFFFAOYSA-N 423.694 3.606 0 1 HHAF Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1 586967310 XHCHZDBLPPECAB-UHFFFAOYSA-N 421.198 3.838 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 587030827 IYOCTQPBCSKGHM-JLATVTFTSA-N 413.528 3.789 0 1 HHAF Fc1cnc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 587187926 NELFXZYLJDWIRR-UHFFFAOYSA-N 413.581 3.670 0 1 HHAF COc1cccc(-c2cc(-c3cn(C)c(=O)n(C)c3=O)nc3c2oc2ccccc23)c1 587362163 DCAUFPIGTXBCFA-UHFFFAOYSA-N 413.433 3.721 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)CC2=O 587484884 HYIFOMKFGQICKG-JOCHJYFZSA-N 413.495 3.731 0 1 HHAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588371 KDZYVCDKXKCNRL-AUSIDOKSSA-N 405.406 3.920 0 1 HHAF COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2ccc(F)c(Cl)c12 587632281 ITTSNXOATIMCLQ-UHFFFAOYSA-N 406.797 3.715 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc(N)c2)N1 587744733 IHANOLMYQJWWTH-WLRWDXFRSA-N 407.283 3.813 0 1 HHAF CCn1nccc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587759410 KUUYJXGEPBZVFE-MGYVYSBSSA-N 407.331 3.658 0 1 HHAF COc1ccc(C=O)c(-c2nc3c(I)cccc3[nH]2)c1OC 587787673 WWNYXWQKWIZUBF-UHFFFAOYSA-N 408.195 3.664 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 587837195 DETWVGGOXXPJIL-APBUJDDRSA-N 404.235 3.970 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962695066 CRKAPRMDPNIOPH-SBUREZEXSA-N 413.514 3.785 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(OC)c(OC(F)F)c(OC)c1 963633378 HVVUJZJISGEATG-WLRWDXFRSA-N 409.429 3.946 0 1 HHAF CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)O 1857554419 IWGLAHBDYGRWRK-TUACAJSNSA-N 414.594 3.710 0 1 HHAF COCCn1cc(CCC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)c2ccccc21 2356761234 QTRDUETWKJKTES-FYYLOGMGSA-N 411.590 3.943 0 1 HHAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)(O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356791356 IOGWPIQCBSCWQJ-FIUYSOKKSA-N 408.579 3.798 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2CC[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@H]21 2356813546 CHWCXTAKZKUCIZ-WTAGLSBMSA-N 412.567 3.774 0 1 HHAF CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1)C1CC1 61958648 NJMBEGWSLRZUGH-MRXNPFEDSA-N 401.507 3.507 0 3 HHAF CCOc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1 104045596 FWQZYJOIHFWTBD-OXQOHEQNSA-N 415.559 3.850 0 3 HHAF CC1(C)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@H](c2ccco2)N(O)Cc2ccccc2)O1 16919496 OMPWHXSXUIWDHQ-FUMNGEBKSA-N 403.475 3.884 0 1 HHAF biogenic CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1Cl 27212862 UDCLQTAISUBDFD-ZDUSSCGKSA-N 403.306 3.509 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F 28235433 TXVHIPLHALDMNA-XZFNAPLISA-N 401.475 3.670 0 1 HHAF CC(C)NC[C@H](O)COc1ccc(CC(=O)OCC23CC4CC(CC(C4)C2)C3)cc1 29400145 YSIUGVQECHLPDW-UQQXROCHSA-N 415.574 3.726 0 1 HHAF COc1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)c1 49073025 BTMSSTDYCCYGBT-NRFANRHFSA-N 405.450 3.640 0 1 HHAF CC(C)(C)OC(=O)N1CCN(c2cc(Oc3cccc4cccnc34)ncn2)CC1 82068311 IMKGPDJXDKIYCV-UHFFFAOYSA-N 407.474 3.874 0 1 HHAF O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1 100106103 INDQYVIMPKUAJO-KOUNCHBCSA-N 406.436 3.999 0 1 HHAF O=C(N[C@]1(C(=O)O)Cc2ccc(C(F)(F)F)cc2C1)c1cccc2c1CCCC2 146512170 ZRRSNBBGZBTVMN-OAQYLSRUSA-N 403.400 3.936 0 1 HHAF CC(C)Cc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707014 LOBDPYOGCCLXTL-IBGZPJMESA-N 402.498 3.812 0 1 HHAF COC(=O)c1cnc(N2CCC(CCCNc3ccc4c(O)coc4c3)CC2)nc1 169727986 QHKHYAINNYFMBD-UHFFFAOYSA-N 410.474 3.824 0 1 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc3)c(C)c2c1 263608349 TWGHXVKHVUGVCO-ZBDIXFMGSA-N 410.466 3.648 0 1 HHAF Cc1ccc2ccccc2c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586884825 ZLDZAWKZVXYTIV-UHFFFAOYSA-N 407.495 3.712 0 1 HHAF O=C(O)c1cccnc1SCc1nc2cccc(I)c2[nH]1 586968702 QETOPKDGOXVFPC-UHFFFAOYSA-N 411.224 3.553 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238849 GTDIIOMGHAUZBV-ODIUBACGSA-N 415.490 3.816 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421571 UMSKOKYUQVYPKY-OPAMFIHVSA-N 414.841 3.514 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504397 JELBFBNZNYWSHH-HSZRJFAPSA-N 414.404 3.837 0 1 HHAF COC(=O)c1cc(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599176 DDMCICOYLNKKOT-UGKGYDQZSA-N 406.390 3.890 0 1 HHAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 587608030 IWRPIZITLAVKGR-RDPSFJRHSA-N 416.385 3.919 0 1 HHAF Cc1c([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587706998 RWQXEOJQIQRGSH-GLEZIHRCSA-N 406.221 3.970 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759755 VHRZLFZOVRCHDL-JLWJJTIXSA-N 421.358 3.966 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCC(=O)O)c2)N1 587791840 IQAAOQWPNVTUSG-WLRWDXFRSA-N 408.267 3.849 0 1 HHAF COc1cccc2c1OCCC[C@@]21N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973166 VHKYIPZZFDCTEC-VBKZILBWSA-N 409.816 3.642 0 1 HHAF Cc1ccc(NC(=N)NC2(C(=O)N3CCN(c4ccccc4)CC3)CCCCC2)cc1 1857534200 JPQYJKLFYUONII-UHFFFAOYSA-N 419.573 3.983 0 1 HHAF COc1ccc(N=c2nc(C[C@@H](C)NC3CC(C)(C)NC(C)(C)C3)[nH]s2)cc1 1857655253 UTKVSVKIZLXABN-CQSZACIVSA-N 403.596 3.542 0 1 HHAF CN(CCc1ccccn1)CC[C@@H]1CN(C(=O)Nc2ccccc2)CC[C@@H]1CC(=O)O 2356314212 RSDUXCGQSIKBJR-WOJBJXKFSA-N 424.545 3.591 0 1 HHAF O=C(CCc1nnc(COc2ccccc2)o1)NCc1ccccc1C(F)(F)F 13594715 AFRZYDIXKRGCKM-UHFFFAOYSA-N 405.376 3.916 0 3 HHAF Fc1ccc(Cn2nnnc2[C@@H](c2ccc(Cl)cc2)N2CCSCC2)cc1 57613911 KYVNPVGYDQKHBU-GOSISDBHSA-N 403.914 3.652 0 3 HHAF CN1C(SCC(=O)N2CCCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21 104037054 XVXZRGLODJBJRA-HEHNFIMWSA-N 403.511 3.590 0 3 HHAF COc1c(NC(=O)C(F)(F)F)c(OCCN2CCCCC2)c(OC)c2occc12 1854354 JVPWJIJWKWWYDR-UHFFFAOYSA-N 416.396 3.816 0 1 HHAF Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 2459741 GRNYXBVGECARDA-UHFFFAOYSA-N 416.499 3.685 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4207602 FFKIVJFCPGMJIR-NTDBWNAOSA-N 404.919 3.913 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C 36153186 SZDSCLOAPYDVBU-QSXIDKSPSA-N 402.579 3.513 0 1 HHAF CC(C)N1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1 38268725 MFPNAWHIPSNSRA-QFIPXVFZSA-N 418.589 3.769 0 1 HHAF COc1cc(C(=N)NC(C)C)ccc1-n1cc(-c2cccc(C(=N)NC(C)C)c2)nn1 45260840 AGSQZLUTCFIHOD-UHFFFAOYSA-N 419.533 3.590 0 1 HHAF CCC[C@@H](CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)O 146749463 OUBAPWWJWLDPAF-AWEZNQCLSA-N 419.437 3.835 0 1 HHAF CC[C@@H](C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 169325573 ZJEVOUZXTOSBOY-SSDOTTSWSA-N 403.070 3.846 0 1 HHAF CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@@H](c2ccc[nH]2)[C@@H]1C(=O)Nc1ccccn1 169724996 LELYHAMBMHVVSC-CTNGQTDRSA-N 414.469 3.530 0 1 HHAF O=C(CC(=O)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1)Nc1ccc(F)cc1 205807354 LILXUVCZUBSSFA-ZDLGFXPLSA-N 404.401 3.614 0 1 HHAF COc1ccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 221131770 XKMULHOCWAMMBP-CZUORRHYSA-N 424.461 3.690 0 1 HHAF 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COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(OC)c1OC)[C@@H](C2)C3=O 587413046 LYSYZOMRQYREPJ-KPZWWZAWSA-N 405.244 3.964 0 1 HHAF C[C@@]1(c2ccc(N3CCN(CCO)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512811 FPACETIHYDWIQV-SANMLTNESA-N 420.553 3.560 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4-c4nc5nc(O)nc(O)c5cc4[C@H]3[C@@H]1CCC2=O 587560326 FYABCABYQUBMTD-FPIZSEJESA-N 403.438 3.769 0 1 HHAF Nc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587575799 DKDARXKAJBZAAZ-NZQKXSOJSA-N 405.406 3.696 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-n2nc(C)cc2C)nn1 587867863 DBGNNGXWWCYXFP-UHFFFAOYSA-N 415.379 3.554 0 1 HHAF Cc1c(C(=O)O)n(CCCC(=O)O)c2cc(C(=O)O)c(OCc3ccccc3)cc12 653845366 BGOHGMHQLZGAOX-UHFFFAOYSA-N 411.410 3.790 0 1 HHAF CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1CC 962731233 QJQCPFWCYGSAIS-HRAATJIYSA-N 422.447 3.971 0 1 HHAF CSc1c2c(cc3c(O)cccc13)[C@](O)(CCC(C)C)[C@](O)(C(=O)O)[C@@H](C)C2=O 2356347774 YXCNTMYFPBJMSI-DYTOACHLSA-N 418.511 3.539 0 1 HHAF COc1ccc(OC)c(N2C(=O)CS[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 1862926 VDNMXRGYASNGOL-FQEVSTJZSA-N 405.472 3.508 0 1 HHAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4054964 MRAUPNNKOJSKPA-UYAOXDASSA-N 401.894 3.627 0 1 HHAF CCCCC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 26951190 WFDKLRYVPBVLDQ-UFYCRDLUSA-N 411.546 3.856 0 1 HHAF O=C(O)c1ccc(NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1 27524913 UETXPRJUDCISFV-UHFFFAOYSA-N 410.495 3.803 0 1 HHAF COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 28817399 VVTIALJSEAYKBI-IFMALSPDSA-N 422.481 3.542 0 1 HHAF CC(=O)c1ccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)cc1 28823839 GWCDLVNJWTVOIP-UZLBHIALSA-N 412.415 3.695 0 1 HHAF O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cn([C@H]2CCCNC2)c2ncccc12 28862343 QRDSTOMHXWGYKD-AWEZNQCLSA-N 409.433 3.812 0 1 HHAF COc1cccc(CN(C)C(=O)N2C[C@H](N)[C@H](c3ccc(Cl)cc3Cl)C2)c1 28899475 MUPPANDMUHSZRP-HKUYNNGSSA-N 408.329 3.981 0 1 HHAF O=c1cc(-c2ccccc2)oc2cc(OC[C@@H](O)CNCc3ccccc3)ccc12 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1 HHAF CCCOc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1OC 169709357 WSCYRWRHHTUADH-OXJNMPFZSA-N 413.518 3.734 0 1 HHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2CF)n1)c1cn(-c2ccc(Cl)cc2)cn1 218290817 KPEQYRKGPMZOQE-WFASDCNBSA-N 416.844 3.784 0 1 HHAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](COC(C)=O)CC[C@@]12C 238773028 WVLBBIUEFLDDRO-YCSIXTNKSA-N 404.503 3.678 0 1 HHAF COc1cc([C@@H]2C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc(O)cc2)cc(OC)c1OC 299819181 AOQJCULCZPADGV-VXKWHMMOSA-N 421.449 3.995 0 1 HHAF COc1ccc([C@H]2[C@H]([C@H](O)c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 299827927 OZPMIDOWTQVOPM-XPWALMASSA-N 405.450 3.847 0 1 HHAF COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2c[nH]c3cnccc23)n1 299856162 CFPNWWZAVOZYGZ-UHFFFAOYSA-N 415.501 3.524 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(N)ncc3[nH]2)c1C=O 586967924 JCPYDKOYHCJAHF-UHFFFAOYSA-N 412.906 3.852 0 1 HHAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(S)nc(S)nc3[nH]2)cs1 587019104 GGPUBRAQASJUFC-UHFFFAOYSA-N 415.529 3.622 0 1 HHAF Cc1nc(O)c(C(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341173 VNVOKBIKIVMCKA-CVDCTZTESA-N 423.396 3.913 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c4c(c1)OCCO4)[C@@H](C2)C3=O 587419733 YSWLZGAATHGPIB-KPZWWZAWSA-N 403.228 3.718 0 1 HHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587419973 VHZAITKWSARQSW-MGPUTAFESA-N 417.255 3.965 0 1 HHAF Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Cl 587655839 RRDXKWUIVBDRCM-UHFFFAOYSA-N 414.799 3.840 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC 587772441 VLIFNFKHZZGEHG-ABKXIKBNSA-N 411.271 3.633 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799960 VJXIQPCHHLLKOC-FRGNPEFRSA-N 414.315 3.886 0 1 HHAF Cc1cccc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCC/C=C/C[C@@H]32)n1 618018226 WISDYOVIRFITCA-SZZIBJLUSA-N 405.498 3.522 0 1 HHAF CCn1nc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c2ccccc21 962665146 LBXUWNOTMHDZHO-QPPBQGQZSA-N 400.482 3.792 0 1 HHAF CS(=O)(=O)c1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2)cc1 1857556176 KTVYKBWECCVMRO-UHFFFAOYSA-N 416.846 3.976 0 1 HHAF Cc1cc2c(cn1)Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1[C@@]21COC(=N)N1 1857652448 KEEYTOGYRWZAEW-OAQYLSRUSA-N 421.844 3.595 0 1 HHAF C=CNCc1cc(-c2c(C(=O)NCC)noc2-c2cc(C(C)C)c(O)cc2O)on1 1911586678 AFQMOXGTWSFUCL-UHFFFAOYSA-N 412.446 3.514 0 1 HHAF COC1=C(c2ccc(O)cc2)[C@](Cc2ccc(O)c(CC=C(C)C)c2)(C(=O)O)OC1=O 2356582342 FQYAPAZNUPTQLD-XMMPIXPASA-N 424.449 3.587 0 1 HHAF CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccc(OC)cc3[nH]2)C1 2356621442 BIGKPZGVEQNRRK-JKSUJKDBSA-N 401.507 3.634 0 1 HHAF CN1C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 13601559 FGWACVODRFNWJZ-NRFANRHFSA-N 403.869 3.910 0 1 HHAF CN(C)CCNc1cc(-c2ccc(CN3CCN(C)CC3)cc2)nc2ccccc12 28246841 RGJBXPLBGDRZKK-UHFFFAOYSA-N 403.574 3.623 0 1 HHAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@H]1CCCO1)C2 34804893 UVLAIQGSAPXWHH-CYBMUJFWSA-N 406.313 3.957 0 1 HHAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@@H]1CCCN(C)C1)[C@@H]3c1cccc(O)c1 45351711 ILPBYDQWNIUYOS-HOYKHHGWSA-N 403.526 3.998 0 1 HHAF OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 95874614 OCNSDTKZVINVFB-CYXNTTPDSA-N 414.553 3.568 0 1 HHAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100323924 WIYUZYBFCWCCQJ-JFWNMISASA-N 414.505 3.573 0 1 HHAF in-vivo O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637775 JWAOONWMLNPSIN-BJWYYQGGSA-N 412.465 3.913 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@H]4C[C@@H]4C)c3)C2)cc1 169709788 OBBNPTBEOJBVEB-SLHLXQHXSA-N 409.530 3.971 0 1 HHAF CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)ncn1 201316717 YTBCGZKBFNSPHP-UHFFFAOYSA-N 404.430 3.889 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(c4ccccc4)C[C@H]3C2)n1C 253920701 NGVUDBRNEJJAEO-AVRDEDQJSA-N 409.559 3.924 0 1 HHAF COc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1C 586954015 XRZIJHYBUQNTDL-UHFFFAOYSA-N 400.485 3.804 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587180988 UWRNITJXFNYGIU-UHFFFAOYSA-N 419.144 3.843 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587229357 AIYPBTDQJZCVCA-RBUKOAKNSA-N 405.498 3.830 0 1 HHAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(CCO)cc2[nH]1 587230639 GXEOSGCOLDURMD-UHFFFAOYSA-N 416.481 3.987 0 1 HHAF C[C@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353236 MPBZYEMJRGHNOV-JCTONOIOSA-N 422.408 3.924 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3CCCS3(=O)=O)c1)CC2=O 587495078 ZSECJGGOJARWJJ-JOCHJYFZSA-N 415.511 3.765 0 1 HHAF CCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625674 LSAPGBWWOGREKF-LLVKDONJSA-N 422.325 3.742 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3Cc4ccccc4N[C@@H]32)N1 587791277 KZBZNRRIELRCLX-OITMNORJSA-N 402.311 3.975 0 1 HHAF Nc1ncc(-c2cc(N3CCCOCC3)nc([C@H]3CC[C@@H](F)C3)n2)cc1OC(F)F 653778381 DNHXPGQCEJOVGY-GXTWGEPZSA-N 423.439 3.555 0 1 HHAF COc1ccccc1[C@]1(c2nnc(C)o2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962572754 QGWQSYWCBGSQSD-QKFKETGDSA-N 409.486 3.572 0 1 HHAF CCC[C@@H]1CC(=O)C[C@]2(C1)c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963152978 UUVKOGCQYIYCKE-UFAGZECESA-N 408.520 3.754 0 1 HHAF Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)c1 1857553886 BZCFMWFRGAKCPJ-DOTOQJQBSA-N 418.925 3.817 0 1 HHAF CCCOc1c2c(cc3oc(C4(O)CCCCC4)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356316774 OOMZHKCTPYGNFM-GOSISDBHSA-N 402.487 3.808 0 1 HHAF CCCCCC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cccc(OC)c3[nH]2)C1 2356321499 URAJYIVJUZVLRA-CVEARBPZSA-N 401.507 3.634 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356490194 ZODJZVRYUQWYON-HBJGLYKMSA-N 422.606 3.537 0 1 HHAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2CN[C@@H]1CCCC12CCCC2 2356690585 DFIDXMCGQSQTCP-OMCHTMTFSA-N 406.570 3.862 0 1 HHAF COC(=O)[C@@H]1CC2=C(CN1CCCc1ccccc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356826499 HSRZNLOUJDBWRH-QFIPXVFZSA-N 424.952 3.956 0 1 HHAF O=C1C(=O)N([C@@H](CCc2ccccc2)c2nnnn2Cc2ccccc2)c2ccccc21 206050302 LEJWZDYTLFGKEV-QFIPXVFZSA-N 423.476 3.625 0 3 HHAF CCOC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2137417 OFEWNLKBRIUCLZ-HSZRJFAPSA-N 403.438 3.585 0 1 HHAF biogenic CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(N(C)C)c3)n2n1 40421003 HABBZXALOVAQBZ-UHFFFAOYSA-N 401.474 3.666 0 1 HHAF CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2Cl)cc1 45506569 IISXIIZLVIQRKF-MAUKXSAKSA-N 415.921 3.851 0 1 HHAF O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cc2cc(F)ccc2oc1=O 49068126 HSHYKFJRTGZKDR-UHFFFAOYSA-N 423.421 3.964 0 1 HHAF Cc1c2c(=O)n(Cc3cc(Cl)ccc3Cl)[nH]c2cc(=O)n1Cc1ccccn1 64446630 NESLPNXRZCXEDV-UHFFFAOYSA-N 415.280 3.598 0 1 HHAF O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1coc(-c2ccc3ccccc3c2)n1 82085956 PQJQNZQWWMGRCY-NRFANRHFSA-N 416.433 3.895 0 1 HHAF O=C(OCc1ccccc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 84587836 SCZTWGBAAOTPTP-UHFFFAOYSA-N 400.438 3.613 0 1 HHAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1OCC(C)C)Cc1cc2ccccc2nc1-3 84689009 SCRMNOBCEABDRY-RPWUZVMVSA-N 406.482 3.552 0 1 HHAF O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 95561103 GRIFIHOPBXFUID-UHFFFAOYSA-N 401.250 3.573 0 1 HHAF C[C@H]1Oc2cc(cnc2N)-c2c(C3CC3)nn(C)c2CN(C)C(=O)c2ccc(F)cc21 98209037 SBEYSILWLYDNSN-GFCCVEGCSA-N 421.476 3.806 0 1 HHAF in-vitro O=C(Nc1c(Cl)cccc1Cl)c1c(-c2ccccc2)nc2n1CCS2(=O)=O 103179302 ZDRYTJBYXIYVOZ-UHFFFAOYSA-N 422.293 3.897 0 1 HHAF CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC[C@@H](c2ccccc2)CC1 169728029 IFKJVOINCUWUAV-QPPBQGQZSA-N 419.569 3.692 0 1 HHAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCOCC3)cc2)n1 203005757 IQOFPZMAWFYRDN-UHFFFAOYSA-N 419.533 3.747 0 1 HHAF CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@H]32 254092332 GZTRBGOKFUFZBR-ABDMBOSPSA-N 416.514 3.657 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587112473 KHCQFYVROPBOJB-SFHVURJKSA-N 409.339 3.819 0 1 HHAF CCOC(=O)[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(C)=O 587345858 HGQAYZSFXMSKOP-KKLQWCBXSA-N 414.429 3.807 0 1 HHAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)cc(Br)c1CC3 587365358 CJEKESQLBPSNAM-UHFFFAOYSA-N 423.064 3.727 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587375349 LHKLDXCHLYIBQU-HXUWFJFHSA-N 422.264 3.877 0 1 HHAF CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422986 HNWHSJQEPPWZJY-XUSGNXJCSA-N 424.346 3.848 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)s1 587608923 ALEKZYVWNPZYQW-KNQAVFIVSA-N 409.463 3.993 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCCc1ccccn1 587657662 CVQHBBYOXRGFEW-UHFFFAOYSA-N 422.460 3.702 0 1 HHAF COc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OC 587659773 CURFDZXUPCRUNM-UHFFFAOYSA-N 404.397 3.908 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2N)N1 587678361 CLCDOXAPSXGENP-ZIDLFYJRSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587736476 WACHIOKRQHHNOT-AYLIAGHASA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 587799414 WVFJSYMCYOREDU-FQWGINHLSA-N 417.322 3.839 0 1 HHAF O=C(CN1CCCC1)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653729240 NXMMWOKYEAKRTP-NRFANRHFSA-N 401.466 3.567 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccncc1)NCC2 962925437 MUJZHNGMKIOLPR-VWLOTQADSA-N 423.520 3.871 0 1 HHAF Cc1cccc([C@@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962975907 NFGCKTCDEKGZCH-MGPUTAFESA-N 409.816 3.634 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963038668 ZRYBHISMKDRQJW-UNWWAFJVSA-N 418.537 3.799 0 1 HHAF CCOC(=O)c1c(N)sc([C@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1C 963586562 VWIUFZFAYYMJFS-WIUDPPPLSA-N 404.532 3.630 0 1 HHAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC(Oc2ccc(F)c(F)c2)C1 1772581626 XVIVDIQGMNARSU-GFCCVEGCSA-N 415.444 3.749 0 1 HHAF CCOC(=O)c1c(C)oc2cc(OC)c(OCc3cccc(S(=O)(=O)O)c3)cc12 1857537354 MJWLLURSRSSUDI-UHFFFAOYSA-N 420.439 3.752 0 1 HHAF COc1cccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)c1 1857551124 HAKQWQKBXNRSHF-UHFFFAOYSA-N 413.481 3.512 0 1 HHAF CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)cn2c1c(=O)oc1ccccc12 1857551275 YEPPNCDJMAWENN-UHFFFAOYSA-N 423.421 3.915 0 1 HHAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356687455 QHOWASXKMOHCHB-LGVFNWMJSA-N 400.563 3.822 0 1 HHAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@H]2[C@H]1C 2356736825 SFOCGDDXGORYAU-XGVQOGOFSA-N 421.626 3.582 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2)[C@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356754646 IKFYJZJOCLACAH-CUYJMHBOSA-N 419.500 3.717 0 1 HHAF O=C(Cc1csc(-n2cccc2)n1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 2356763451 JTCLJYMUOBTSMU-QQURRQIPSA-N 422.598 3.898 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1cccc(Cl)c1 72140965 JNRBKFSTGPQVLU-GOSISDBHSA-N 409.866 3.714 0 3 HHAF O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@@H]46 263591645 IBBIDRLVXCGALA-WJRUOTNLSA-N 422.528 3.786 0 3 HHAF CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2[C@@H]1O3 26150467 WENKIEOMTSYROD-QFIPXVFZSA-N 408.454 3.811 0 1 HHAF CC(C)O[C@H](Cc1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1)C(=O)O 26480772 JARCLKXJFZURIW-GOSISDBHSA-N 400.406 3.875 0 1 HHAF CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 28712942 UJRUQLNCVSHWFC-FBLLAGFSSA-N 406.526 3.629 0 1 HHAF Cc1nc(N2CCN(C)CC2)c2c(C)c(C(=O)NC3CCCCCC3)sc2n1 34861241 JIQSUTOGHABJOA-UHFFFAOYSA-N 401.580 3.513 0 1 HHAF CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc1-2 40135802 GTRFGCMGMHCDPF-AWEZNQCLSA-N 418.291 3.881 0 1 HHAF O=c1[nH]c2c(O)ccc(CCNCCCCCCOCCc3ccccn3)c2s1 40475241 POBPMWBNZWDPQH-UHFFFAOYSA-N 415.559 3.642 0 1 HHAF COc1ccc(C(=N)NC(C)C)cc1-n1cc(-c2cccc(C(=N)NC(C)C)c2)nn1 45283623 JMXIIEGELMNTEC-UHFFFAOYSA-N 419.533 3.590 0 1 HHAF CC(=O)c1ccccc1OCCCN1CCN(C(=O)c2ccccc2Cl)CC1 49807758 VYPFBZBOPUOVGF-UHFFFAOYSA-N 400.906 3.770 0 1 HHAF O=S(=O)(Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)nn2c1)c1ccco1 82081940 LQMSAEPKLPQDBL-UHFFFAOYSA-N 408.361 3.809 0 1 HHAF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCC2)c(-c2ccco2)n1 82142516 JKZBTECGGDGGSH-UHFFFAOYSA-N 408.458 3.602 0 1 HHAF O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCSCC1 95578880 YWAQCZWSYHULKA-UHFFFAOYSA-N 400.507 3.953 0 1 HHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC(C)C)c2)cc1OC 95581434 BMKANNZINUWZQQ-ZWKOTPCHSA-N 400.471 3.771 0 1 HHAF O=C(Nc1ccnc(N2C[C@H]3C[C@H]2CN3Cc2cccc(O)c2)c1)c1ccc(F)cc1 100088418 ZJGGDNSSIBKUOU-RTWAWAEBSA-N 418.472 3.642 0 1 HHAF CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 138239147 HWESXODAHPQBPN-UHFFFAOYSA-N 412.294 3.887 0 1 HHAF O=C(CC1CC1)N1CCC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167618459 DUVRUDUMUPFBPT-JOCHJYFZSA-N 420.513 3.799 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3cccc(F)c3C)no2)c1 218050454 YIGGVJZHZCFJLK-IBGZPJMESA-N 418.432 3.660 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)Cc3ccc(cc3)CC(=O)Nc3ccc(cc3)[C@@H]1C2 253639686 MTTQVAJJGOFFBH-MLCQCVOFSA-N 404.510 3.533 0 1 HHAF Cc1nccc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 587107984 FWNDKUPTEUUEGP-AWEZNQCLSA-N 410.421 3.811 0 1 HHAF CC(=O)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587334964 GGJUACLNFZRPHR-QPPBQGQZSA-N 417.392 3.679 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335308 JOXUAPLLCNQTJU-JHCRIPLJSA-N 413.445 3.658 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587451346 XJEQGIUJTOVQPW-GREBRCKQSA-N 412.507 3.906 0 1 HHAF Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587580223 RUQASGYKUMVATO-REWPJTCUSA-N 404.422 3.845 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2nc[nH]n2)o1 587614693 ULIOZEXIQOFQPN-VQIMIIECSA-N 407.407 3.957 0 1 HHAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 587623289 PFCNMLANNIVEBN-ONRBNPFXSA-N 415.291 3.797 0 1 HHAF CS(=O)(=O)c1cccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587658225 MCMFPPPIXZVFLD-UHFFFAOYSA-N 412.417 3.734 0 1 HHAF CCOc1ccc(-c2nn(-c3cncc(C)n3)c(=O)c3ccccc23)cc1OCC 587668474 CCGJELZPYASDDG-UHFFFAOYSA-N 402.454 3.949 0 1 HHAF CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797607 MMTORMGDBUMEIJ-JEOXALJRSA-N 414.315 3.886 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N(CC)CC)cn1 587872381 KUCFRPNPMWUYLG-UHFFFAOYSA-N 418.494 3.503 0 1 HHAF CC(C)c1nc(C(=O)NCC2(C)CCN(CC3CCOCC3)CC2)c2ccccn12 653787991 DMXPIHKCPMZIBT-UHFFFAOYSA-N 412.578 3.716 0 1 HHAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963029258 NHFRNSUWKXMYQL-FMKFIRIRSA-N 412.917 3.640 0 1 HHAF COc1ccc([C@@]2(CCC(=O)O)NCCc3cnc4c(OC)cccc4c32)cc1OC 963049177 AULYQLDINCHDMC-XMMPIXPASA-N 422.481 3.515 0 1 HHAF COc1ccc(-c2cc3c(cn2)ncn3-c2cc(OC)c(OC)c(OC)c2)cc1O 1857548920 WRRSAUXZOYUECN-UHFFFAOYSA-N 407.426 3.828 0 1 HHAF N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5cccnc45)c3c2)C1 1857747349 NMQKWQSHBDMICR-HZPDHXFCSA-N 400.486 3.733 0 1 HHAF CC(=C[C@H](C)Cc1ccccc1)CCCCC[C@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 2356397463 NLNJIEVMUWDLAZ-GWJPWWOOSA-N 420.502 3.753 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 13133476 PUDOZZTYLABBEU-ZMSDIMECSA-N 415.559 3.727 0 3 HHAF aggregator Cc1nc(NC(=O)C(C)(C)C)sc1C(=O)Cn1cc(CCc2ccccc2)nn1 72139454 VRDOLNFKFIHGTE-UHFFFAOYSA-N 411.531 3.696 0 3 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@H]3CCCC[C@H]32)cc1 169292924 PJSRLBULLRQHBL-HKBOAZHASA-N 415.511 3.649 0 3 HHAF COc1cccc(NC(=O)[C@@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)c1 6806133 GJMYFAHZWOWMDP-MRXNPFEDSA-N 411.531 3.809 0 1 HHAF O=C(CCCN1CCN(CC[C@H]2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1 22033309 ZOXIJGNVMSVOEF-NRFANRHFSA-N 408.517 3.852 0 1 HHAF CN(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)S(=O)(=O)c1ccccc1 28571378 BOCHPXUJWMNYLD-UHFFFAOYSA-N 413.339 3.824 0 1 HHAF O=C(NC(=O)c1ccc(Cl)cc1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 29398482 JLYMTTJSNBHGDN-MRXNPFEDSA-N 400.891 3.761 0 1 HHAF O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)cc1 49116445 VTFLALQGBLPAOI-UHFFFAOYSA-N 415.457 3.501 0 1 HHAF COc1cc(CCCOS(=O)(=O)O)cc2cc(-c3ccc4c(c3)OCO4)oc12 66074375 XESUNYHJOXXRLN-UHFFFAOYSA-N 406.412 3.589 0 1 HHAF NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(Cl)c2)C1 84687938 RFFOACDYUIXWJH-UHFFFAOYSA-N 417.847 3.526 0 1 HHAF N[C@@H]1CCc2ccc(CNS(=O)(=O)c3ccccc3)cc2[C@@H]1Cc1ccccc1 88260827 IDSHSZLDIFDQLI-BJKOFHAPSA-N 406.551 3.765 0 1 HHAF CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)CC[C@@H]12 95604730 VLUSLHNYJYPIJY-XIPGJTRLSA-N 418.574 3.560 0 1 HHAF CC(C)[C@@H]1COCc2cn(nn2)CC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 95665132 BLWFYANTYMFCSM-VWNXMTODSA-N 418.541 3.865 0 1 HHAF O=C(N[C@@H]1CCCC[C@H]1O)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)nn1 103247957 HQXSCIAIRUQCLE-IEBWSBKVSA-N 401.894 3.619 0 1 HHAF O=C(c1ccc(Oc2nccnc2N2CCCOCC2)cc1)c1nc2ccccc2[nH]1 103285380 FSOBJGLZSZGYOL-UHFFFAOYSA-N 415.453 3.603 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@@H]1CC[C@H](C2)N1 116585705 VMNCYKLGFBECRY-PXAZEXFGSA-N 418.465 3.962 0 1 HHAF CN(c1ccc(-c2ccc(-n3cccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 146726181 DYYYAFDPBKZELV-UHFFFAOYSA-N 406.534 3.780 0 1 HHAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CCCCC1 149349333 IIVBNWXBONBKKG-GOSISDBHSA-N 400.544 3.750 0 1 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CCN(c2ccccc2)C1=O 201100201 VOYLNDZQJZHFOB-MNDLBQGCSA-N 418.537 3.886 0 1 HHAF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 586921122 YLBLBDJAGKFDDQ-UHFFFAOYSA-N 415.696 3.961 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)o1 586923527 OVTMIMWXRYEPDM-UHFFFAOYSA-N 400.435 3.597 0 1 HHAF CN(CCc1nc2c(N)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193497 BRKHECOBWCDBSJ-UHFFFAOYSA-N 413.481 3.964 0 1 HHAF C[C@@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341123 XVSDZESPZVLOSP-VWNXMTODSA-N 421.424 3.670 0 1 HHAF CCOC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587529630 BPHACOWEWWBSMD-XMMPIXPASA-N 406.434 3.971 0 1 HHAF CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570987 KHEZHLILHHNQSO-FFJNVULZSA-N 411.454 3.511 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 587758237 IDNNNGOMXHSFBH-CWTRNNRKSA-N 401.283 3.967 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587799020 VREMKMPZPZGZCI-QPFGOUBPSA-N 404.239 3.786 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nnc(-c2ccccc2)o1 587868285 YOMOOVAWJHWZHZ-UHFFFAOYSA-N 415.331 3.711 0 1 HHAF CN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc2ccccc2c1 653799882 AFKWVIWYEWKBIL-UHFFFAOYSA-N 422.428 3.800 0 1 HHAF COc1cccc(CN2CCC3(CC2)NCCc2cnc4c(OC)cccc4c23)c1 963045972 HOQOMLGYAMUPKV-UHFFFAOYSA-N 403.526 3.889 0 1 HHAF O=C(O)/C=C/c1cc(C(=O)NCCc2ccccc2)cc(-c2cccc(CO)c2)c1 1857598078 XMGCVUKSJCEBJD-MDZDMXLPSA-N 401.462 3.916 0 1 HHAF CC(C)=CCCC(C)=CCOc1ccc(CCNC(=O)C=CS(C)(=O)=O)cc1O 2356641560 UIQGUYKNKBPJPR-UHFFFAOYSA-N 421.559 3.681 0 1 HHAF CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 59833376 YUEHBYHERLEJFD-FXAWDEMLSA-N 413.497 3.931 0 3 HHAF O=C(Nc1ccc(F)cc1)[C@@H](c1cccc(F)c1)N1CCN(c2ccncc2)CC1 95569959 XNBNOSRYRRIVPJ-JOCHJYFZSA-N 408.452 3.862 0 3 HHAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)on1 205221323 TZRQWNUAFUXQNA-GOSISDBHSA-N 407.445 3.764 0 3 HHAF COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491949 FHXQVCILFRHOLQ-OAQYLSRUSA-N 424.541 3.886 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4050827 NFHJAHDDZGCTCX-OXKOKHSUSA-N 410.514 3.700 0 1 HHAF Cc1ccc2c(c1)c(C(=O)[C@@H]1CS[C@H](c3cccnc3)N1)c(C)n2C(=O)N(C)C 13737529 DRTJMPXMIBMRRV-LAUBAEHRSA-N 408.527 3.769 0 1 HHAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(NCCCN3CCOCC3)n2)cc1 28530649 OCOWWYUOWJMQJT-UHFFFAOYSA-N 420.513 3.659 0 1 HHAF CCn1c(=O)n(Cc2nc3ccccc3n2C[C@H](O)c2ccccc2)c2ccccc21 35826964 SKHGPUQEYZKHHD-QHCPKHFHSA-N 412.493 3.955 0 1 HHAF CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]2(C)[C@H]1OC(C)=O 40860740 FETPRYGDJQBBEF-HIGZBPRKSA-N 414.498 3.970 0 1 HHAF CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2Cl)c1 45506566 AKSBTBLEMBOTBP-CRAIPNDOSA-N 415.921 3.851 0 1 HHAF CCCCNC(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 66262583 SVXXZBLSJBBBKW-UHFFFAOYSA-N 423.557 3.898 0 1 HHAF CN(C(=O)[C@H]1CCc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71340851 UCCMVFFQDOSLQJ-XLIONFOSSA-N 402.494 3.772 0 1 HHAF O=C(c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1)N1CCC(O)CC1 72103588 KHKJOEIKDWHWDN-XMMPIXPASA-N 422.912 3.616 0 1 HHAF CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 95558644 ITNHWWGYNKMXHN-ROUUACIJSA-N 420.550 3.605 0 1 HHAF O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(Cl)cc1 95663964 IVSFOQKCIBTUJX-RXVVDRJESA-N 410.905 3.568 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cncc5ccccc45)ccc31)[C@@H]1CC[C@@H](C2)N1 100633019 YIZXRNQFEZFWPC-KXBFYZLASA-N 403.507 3.909 0 1 HHAF Cc1ccc(S(=O)(=O)n2cc(/C=C3/[C@H](O)C4CCN3CC4)c3ccccc32)cc1 102429872 SNSJLAVNBDPZGG-XUKJQLKWSA-N 408.523 3.614 0 1 HHAF CCOC(=O)CNC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103198280 KZDRZOFIRNIPBS-NSHDSACASA-N 413.257 3.627 0 1 HHAF CCOc1c(S(=O)(=O)CC)ccc(C(=O)c2c(C)nc(C(C)C)n2O)c1Cl 103204111 DLEGFAAXKJKAHQ-UHFFFAOYSA-N 414.911 3.629 0 1 HHAF O=c1c(C(c2cncs2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 103633550 ICXANAKOIFKQTB-UHFFFAOYSA-N 419.414 3.947 0 1 HHAF CC(C)C(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168516687 PGKKHTWCOPFIEV-BDXSIMOUSA-N 417.347 3.988 0 1 HHAF Cn1ncc(-c2nn(C)c3ncnc(N4CC(F)C4)c23)c1-c1ccc(C(F)F)cc1 169706124 FLAPXKSZFKWPLJ-UHFFFAOYSA-N 413.407 3.527 0 1 HHAF C[C@H](c1ccccc1)c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1 221407255 RDVJAKLUKANESW-IEBWSBKVSA-N 403.530 3.949 0 1 HHAF COc1cc2nc(CC/C(C)=C/Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2cn1 586914833 CIJHJBUOGHLGFF-LFYBBSHMSA-N 423.469 3.781 0 1 HHAF Cc1c(Br)cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586967215 QPPFMAKQINBLOY-UHFFFAOYSA-N 403.265 3.766 0 1 HHAF O=S(=O)(c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1)C(F)(F)F 587016881 OYTLFTSOVWRSIW-GFCCVEGCSA-N 403.407 3.831 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 587154747 GJXGCOBWXPDKFF-BUXKBTBVSA-N 418.266 3.983 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)cc2[nH]1 587194467 UGUNMGYNWPFYQB-GFCCVEGCSA-N 415.307 3.982 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587199023 WOHRIZMMDZKABQ-UHFFFAOYSA-N 404.401 3.926 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)s1 587615419 WTFRCAAOFLLBEX-NFBKMPQASA-N 423.490 3.989 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCOCC3)o2)N1 587774892 QFVQEXIMRVMEFY-BLVKFPJESA-N 409.299 3.637 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O 587792907 LVMUWOBIACKSAG-APBUJDDRSA-N 424.266 3.684 0 1 HHAF CO[C@H]1CC[C@H](n2nc(Oc3cc(C(F)(F)F)ccn3)c3c(N)ncnc32)CC1 1911572274 SSDSGYXLSNMFIZ-HAQNSBGRSA-N 408.384 3.745 0 1 HHAF COc1ccc(CN2CC[C@@H]3CC(=O)N(Cc4ccc(OC)cc4)CC[C@H]3C2)cc1 2356858805 TWRMKFHCVRULAT-YADHBBJMSA-N 408.542 3.965 0 1 HHAF CCCc1ccc(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1 263590321 MQHPXADYBWLPKO-QAPCUYQASA-N 422.909 3.855 0 3 HHAF COc1ccccc1/C=C1\C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 13704213 VUJPLDYWIITOTL-SCVJVIIRSA-N 404.503 3.618 0 1 HHAF COc1ccc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)c1OC 14648415 FPDSAFDZESQGFV-HNNXBMFYSA-N 414.454 3.991 0 1 HHAF biogenic COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](O)[C@H](C)[C@H](C)C2 35794933 IHVGPKYZFAVXGZ-YRUZYCQGSA-N 402.443 3.675 0 1 HHAF COc1cc(Nc2ncc3ccn(-c4nccc(Cl)n4)c3n2)cc(OC)c1OC 40564356 BNXZQALBAXHGOC-UHFFFAOYSA-N 412.837 3.633 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C 40632490 YNMRJIMLEOQFSB-FRYIKTPZSA-N 402.487 3.711 0 1 HHAF CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 40950090 MMWQSRBMLKJUGB-DNVCBOLYSA-N 415.921 3.851 0 1 HHAF COc1ccc(Nc2nc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 43075028 KMAFYANKTXTZLW-UHFFFAOYSA-N 415.471 3.734 0 1 HHAF CN(C)C(=O)Cn1c(-c2cnccn2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45392149 OZCLALZBBGJLRS-UHFFFAOYSA-N 406.486 3.932 0 1 HHAF O=C(Cc1ccccc1)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72186341 XEFSSJHISOYFRI-XMMPIXPASA-N 422.479 3.668 0 1 HHAF CCOC(=O)[C@](O)(c1c[nH]c2ccccc12)C(F)(F)P(=O)(OCC)OCC 82053191 DUNZNXBAFIYRSA-MRXNPFEDSA-N 405.334 3.778 0 1 HHAF COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 82066779 SHOURTGPWDCRBN-HZPDHXFCSA-N 415.538 3.585 0 1 HHAF COc1ccc(OC)c(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c1 82068460 VWRAZWLETGIQDV-UHFFFAOYSA-N 418.457 3.521 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OC/C=C/c1ccccc1)[C@H](OC(=O)c1ccccc1)C2 100728702 UASJKQINROBGIC-PCHQVAIESA-N 405.494 3.951 0 1 HHAF COc1ccccc1-c1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142075625 YKTYXHGGNOVFFG-DZGCQCFKSA-N 424.461 3.690 0 1 HHAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2cc(C)on2)cc(-c2ccc(C)cc2)c1 142625806 DGVBLSHBVRXRRI-HNNXBMFYSA-N 407.470 3.975 0 1 HHAF CS(=O)(=O)N(Cc1ccccc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 149345563 LNFVGXZYHJUBDM-IBGZPJMESA-N 408.523 3.617 0 1 HHAF O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169297231 LPRDKGYMPJZAIG-HUJIQXBTSA-N 402.425 3.636 0 1 HHAF Cc1cc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)ccc1C#N 220214607 CUJLQDZKFKZKNS-UHFFFAOYSA-N 412.496 3.655 0 1 HHAF CCc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 473136723 UMZSRCWQPPZAIH-IBGZPJMESA-N 405.527 3.529 0 1 HHAF Cc1c(-c2nc3cnc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029363 MWTKVYABGRKMEL-UHFFFAOYSA-N 402.277 3.870 0 1 HHAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)ccnc4[nH]3)ccc2s1 587033591 JZYJLKRZNPTQTG-UHFFFAOYSA-N 424.482 3.813 0 1 HHAF FC(F)(F)c1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cn1 587118153 JWYBEXXQVBMLJQ-UHFFFAOYSA-N 402.258 3.895 0 1 HHAF O=C(N[C@@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 587219671 PHEPFJFYNYVLKY-HNNXBMFYSA-N 408.259 3.586 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)CC(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)O2 587400750 OBKLNZBJZKFPGM-UHFFFAOYSA-N 405.491 3.745 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CCNC(=O)OC(C)(C)C)(CC(=O)OC)CC2=O 587469977 KBFAAHSHIBPFHS-QFIPXVFZSA-N 421.490 3.527 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587490058 QENITKXIELWYKN-OQUCYHQFSA-N 400.471 3.775 0 1 HHAF C[C@@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576716 HWORZRDKQHLROJ-URXFXBBRSA-N 403.434 3.819 0 1 HHAF CC(C)(C)OC(=O)N1CC([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587581381 HHLGLRJXFUQMPX-FDDCHVKYSA-N 411.454 3.979 0 1 HHAF COC(=O)Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587590951 DRWUCRUVKRNBCJ-REWPJTCUSA-N 406.390 3.516 0 1 HHAF COc1ccccc1NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659871 HGVFNUCFJWQIHL-UHFFFAOYSA-N 403.413 3.964 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587830975 GPJKQJSKYPCOIE-QCYICXJISA-N 408.267 3.504 0 1 HHAF CCOC(=O)C[C@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587853499 NNIAHQNQBSLOTM-BTDLBPIBSA-N 413.312 3.776 0 1 HHAF C[C@]1(c2ccc(Br)cc2N)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962714078 QDAHWTYSRPJGCE-RDJZCZTQSA-N 413.237 3.941 0 1 HHAF COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2F)c1=O 1857571286 POVRODIMIXSWBA-UHFFFAOYSA-N 415.852 3.582 0 1 HHAF O=S(=O)(c1ccc(Oc2cncc(Cl)c2)c2c1[C@H](O)C(F)(F)C2)C(F)F 1857746679 BHVVNKUTBLIFBF-ZDUSSCGKSA-N 411.760 3.748 0 1 HHAF Cn1c(Cl)c2c(c1C(=O)NCc1ccccc1Cn1cncn1)CCC(C)(C)C2 1857760897 UOXOWMNNZYBJHK-UHFFFAOYSA-N 411.937 3.763 0 1 HHAF Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(CC(=O)N(C)C)CC1 19744942 LYQQKZLHKJFGCM-UHFFFAOYSA-N 418.541 3.523 0 3 HHAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4211780 RNIWBBFTXTVNKX-ZVDOUQERSA-N 410.857 3.875 0 1 HHAF CSc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 12587256 FHFIINYKYAZHMO-UHFFFAOYSA-N 401.620 3.707 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(F)c2)cc1 13972144 CILMWGKYOULOMR-FCHUYYIVSA-N 413.489 3.831 0 1 HHAF O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(O)cc(O)c1 40847261 IDINBWGYQCFVMQ-UHFFFAOYSA-N 403.026 3.581 0 1 HHAF O=C1NCc2[nH]c3c(ccc4cnc(/C=C/c5ccc(CN6CCOCC6)cc5)cc43)c21 72110418 ISLMQWLFRPLLLI-FNORWQNLSA-N 424.504 3.962 0 1 HHAF CCCCN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1=O)OCO3 84603427 HPWLHEDILCRWDF-UHFFFAOYSA-N 413.426 3.584 0 1 HHAF COc1cc2c(NCc3ccccn3)c(C(N)=O)cnc2cc1-c1c(C)noc1C 84635927 LRAIJPXNMKGLTD-UHFFFAOYSA-N 403.442 3.621 0 1 HHAF COc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103241857 XTZUCMWDWNWYFV-UHFFFAOYSA-N 405.477 3.718 0 1 HHAF COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@H](CCCCC[C@H](C)OC(C)=O)O2 103275350 MQTUQRYXMJDNHJ-YOEHRIQHSA-N 406.475 3.647 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCNC3)C2)cc1)N1Cc2ccc(F)cc2C1 166458645 UZGAKVYUPVRDPD-XMMPIXPASA-N 422.504 3.589 0 1 HHAF O=C(Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12)C1CCCC1 205886897 YDSUKUHCWZWRJZ-OAHLLOKOSA-N 408.531 3.656 0 1 HHAF Cc1cc2nccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c2s1 220433591 YMXWZCOKMKIXFG-UHFFFAOYSA-N 424.570 3.796 0 1 HHAF O=C1c2cnc(Cl)nc2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 299838239 TXZVQQKOUMZKAA-UHFFFAOYSA-N 409.673 3.964 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc(F)c3[nH]2)cc1 586941655 UPCCYZADESHTAP-SREVYHEPSA-N 424.295 3.863 0 1 HHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587116604 IYBJQGYKQHNBPS-UHFFFAOYSA-N 423.786 3.695 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)nc3[nH]2)C(F)(F)C1 587132012 GZSLPSNZFUCUOI-QMMMGPOBSA-N 403.227 3.690 0 1 HHAF COC(=O)[C@@H]1SC[C@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587374796 QMLVEWURRJHTHR-PTMPUTRESA-N 402.443 3.554 0 1 HHAF CC1(C)OC(=O)C([C@@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 587535683 NBHGWMVJVZEHAI-DEOSSOPVSA-N 412.482 3.912 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587720842 OBZBANBXOPGKPT-XLFHBGCDSA-N 416.241 3.589 0 1 HHAF CNC(=C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC 587744099 QQIZZHQRELIIJT-SPLOXXLWSA-N 418.354 3.955 0 1 HHAF CCOC(=O)C[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775318 ZDGDYCGMPVLCRR-BUXKBTBVSA-N 407.283 3.714 0 1 HHAF COc1ccc(-c2cn(C)c(=O)c3cc(C(=O)N4CCCCC4)sc23)cc1OC 653693934 TWNMJRDGUZTHLI-UHFFFAOYSA-N 412.511 3.910 0 1 HHAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCN)nc12 653717847 MYOLWRIHGCZZGE-UHFFFAOYSA-N 402.506 3.521 0 1 HHAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cccnc2-c2cccnc2)N1 962626660 DBSODTCETBYQKZ-MJGOQNOKSA-N 415.371 3.731 0 1 HHAF O=C(C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21)c1ccco1 962765760 NFSDSHSYUMNDGN-ZBEGNZNMSA-N 421.293 3.684 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cnc(Cl)s1 963151671 XXGJYQQLVAMKBZ-WCBMZHEXSA-N 401.897 3.589 0 1 HHAF Cc1ccc(OCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)nc1 1772584092 MTNFJIAAPSFMKR-UHFFFAOYSA-N 403.442 3.881 0 1 HHAF CNC(=O)c1cccc(Nc2ncnc(N3CCC(Cc4ccc(F)cc4)CC3)n2)c1 1772653437 MMKQCRUFYOJBDB-UHFFFAOYSA-N 420.492 3.573 0 1 HHAF CC[C@H](C)c1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12 1772654762 QJHFEVQVNKHZNS-HNNXBMFYSA-N 408.502 3.895 0 1 HHAF O=c1cc(NCCCN2CCN(c3nccc4ccccc34)CC2)c2c(o1)CCCC2 1857590539 BCFWSQVNSHUZSU-UHFFFAOYSA-N 418.541 3.691 0 1 HHAF C[Si](C)(C)c1cc([Si](C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O 1857615368 TYQIFWXBQYAKCR-UHFFFAOYSA-N 424.649 3.576 0 1 HHAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1C 2356443675 UBVIKYYTVFHBGN-PCNTZYQVSA-N 416.470 3.810 0 1 HHAF CCN(CC)C(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC 13661291 GUOUIGXFEWSFFH-INIZCTEOSA-N 401.459 3.529 0 3 HHAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccccc2OC(F)F)cc1OC 61895983 FRYSUUCATUBFLQ-NRFANRHFSA-N 406.429 3.908 0 3 HHAF Cc1cc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)nn1C(C)(C)C 206057893 QEQHNHCFSJHZGG-BLLLJJGKSA-N 404.873 3.614 0 3 HHAF CCOc1cc(CCNC(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)ccc1OC 772713 XOXKNTODLLHPCU-JOCHJYFZSA-N 416.905 3.847 0 1 HHAF COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)c1OC 4052799 RZFGUUQDDWJGPM-REWPJTCUSA-N 420.465 3.748 0 1 HHAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC 4055632 YYYHEIFADCMQDH-ICSRJNTNSA-N 402.878 3.593 0 1 HHAF O=C(NCc1ccccn1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 8912780 IZSXBEXEMLGWJL-UHFFFAOYSA-N 421.501 3.911 0 1 HHAF O=C(c1cc(COc2cccc3cnccc23)on1)N1CCC[C@@H](CN2CCCC2)C1 11813240 UURYSRNLJHMWDN-SFHVURJKSA-N 420.513 3.750 0 1 HHAF CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OC[C@H](NC(=O)c1ccccc1)C(C)C 13373103 YYJRAGPDSYXARF-NYVOZVTQSA-N 424.541 3.829 0 1 HHAF biogenic O=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)nc1)N1CCOCC1 13589415 XNUIRGHKJISNSI-UHFFFAOYSA-N 419.525 3.996 0 1 HHAF CCCN(CCOC)c1nc(C)nc2c1NCCN2c1cc(OC)c(OC)cc1C 14975071 UYYWUTVXKGHMBC-UHFFFAOYSA-N 415.538 3.537 0 1 HHAF O=C1C[C@@]2(CC[C@](O)(c3ccco3)[C@@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 31871015 QOIBTJCCEGZCMA-QQTNTEGQSA-N 419.433 3.955 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@@]21C 36153173 SZDSCLOAPYDVBU-KLZSOILPSA-N 402.579 3.513 0 1 HHAF CCOc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 40918784 RXHRNNUENNGFCO-UHFFFAOYSA-N 411.255 3.996 0 1 HHAF COCCCn1c(NC(=O)c2ccno2)nc2cc(CNc3ccccc3)ccc21 42922310 LWJOLPZGUNUJFV-UHFFFAOYSA-N 405.458 3.925 0 1 HHAF CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 82068778 KZTKZMQLFSRNPC-HTAPYJJXSA-N 408.506 3.839 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H]1CO 95877782 UOYXNQGGSNDUET-AGILITTLSA-N 424.516 3.620 0 1 HHAF Brc1ccccc1CSc1nnc(Cn2nnc3ccccc32)o1 96271752 VFAOYFBDZINGDU-UHFFFAOYSA-N 402.277 3.917 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O[C@H](C)CN(C)C)cc1 96932209 AYZGFAJCOVMXLA-IUUIHGGBSA-N 421.541 3.894 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2c1ccc(C(=O)Nc2ccccc2N)cn1 100071133 GYINZFUSDQBGNV-SJORKVTESA-N 423.517 3.504 0 1 HHAF CCOc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)cc1 100705128 GWNCENCLHKNTCI-UHFFFAOYSA-N 408.483 3.908 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3(F)F)cc1F 261190779 ZBBLWDKBBLAYBC-AEFFLSMTSA-N 417.449 3.597 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 586950365 FVEAQFKMKVAHQM-UHFFFAOYSA-N 402.220 3.642 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 587125912 HKAOPDNHUSUYBX-LDWIPMOCSA-N 401.190 3.891 0 1 HHAF Nc1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 587179493 WPHMJUANFWCUMM-UHFFFAOYSA-N 404.133 3.831 0 1 HHAF CC(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 587183859 KDVWWJVBSXCENY-AWEZNQCLSA-N 405.239 3.613 0 1 HHAF CC(=O)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587188766 WGSRTIYVRPOYNF-UHFFFAOYSA-N 402.195 3.685 0 1 HHAF O=C1[C@@H]2[C@@H]3C[C@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]5[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]42 587352707 NMQDICCAUIOBBZ-ALCVQZNLSA-N 402.421 3.586 0 1 HHAF COc1cc2c3c(c1)O[C@H](C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435175 DJCAUDNVJIGMLV-NUEKZKHPSA-N 403.475 3.573 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)CC2=O 587477505 RMSARPZAMSPICC-IZHWHUGBSA-N 407.466 3.743 0 1 HHAF COC(=O)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 587769359 FWAGKANVBZPIIC-QLJPJBMISA-N 418.266 3.646 0 1 HHAF OC[C@@H](CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 653699349 BIJVKMCWAYQCHV-AREMUKBSSA-N 416.565 3.971 0 1 HHAF CC(C)c1cccc2c1NC(=O)[C@@]21N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962704085 UFAQTZANJYKYKR-OXQOHEQNSA-N 422.378 3.763 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2cnc3ccccc3n2)N1 962928565 YYFUSDQIBKDRSJ-GMAHTHKFSA-N 413.433 3.816 0 1 HHAF CNC(=O)c1cccc(NC(=O)C[C@H](Sc2ccc3ccccc3c2)C(=O)O)c1 1772581063 GJZDYPAYOIWXNB-IBGZPJMESA-N 408.479 3.774 0 1 HHAF CC(=CC=CC=C[C@]1(C)[C@H](C)C(=O)O[C@@H]1[C@H](C)C(=O)O)[C@@H]1[C@H](C)C(=O)[C@@](C)(O)[C@@H]1C 2356822287 FTWALXVHOVPIMY-SFRATNGVSA-N 418.530 3.556 0 1 HHAF CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@H]1N2C(=O)OC(C)(C)C 102374570 NVHMRQFLOHDZIF-WMZOPIPTSA-N 410.470 3.915 0 3 HHAF Cc1[nH]c(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c(C)c1C(=O)NC1CCCCC1 5135783 IHSSYAPVKUCVHV-CALCHBBNSA-N 416.610 3.792 0 1 HHAF Cc1c(O)cccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 27721352 JWEASFULKFGOBS-UHFFFAOYSA-N 409.530 3.567 0 1 HHAF O=c1[nH]c2cccc(Cl)c2n1C1CCN(C[C@H]2COc3ccc(F)cc3O2)CC1 27898186 VTHYXURDPLRGMQ-HNNXBMFYSA-N 417.868 3.599 0 1 HHAF Nc1ccnc(N2CCC(C(=O)N3CCc4ccccc4C3)(c3ccccc3)CC2)c1 40972519 IWDSJHMQLGCBQF-UHFFFAOYSA-N 412.537 3.787 0 1 HHAF CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)CC1 43196746 PWLVTQLLKZJACN-UHFFFAOYSA-N 419.550 3.779 0 1 HHAF CC1(C)NC(=O)N(C[C@H](O)COc2ccccc2-c2cccc3ccccc23)C1=O 66074715 AUVFDGJDCXPANH-KRWDZBQOSA-N 404.466 3.577 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82140013 QPHYFLCWBZNSOJ-UHFFFAOYSA-N 420.444 3.542 0 1 HHAF O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cscn3)cc2)c2ccccc12 103256293 ARHSQYCGAQRIMP-UHFFFAOYSA-N 417.446 3.802 0 1 HHAF O=C(NCCc1c[nH]cn1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 142529510 DNRPLFPGAXZDLB-UHFFFAOYSA-N 400.442 3.708 0 1 HHAF CC1=NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)OCc1ccc2c(c1)OCO2 169687135 PSDXASFUMCQYGS-ROUUACIJSA-N 400.818 3.654 0 1 HHAF Cc1ccc(C2=NN[C@@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 195357079 GJXRCQUWMGJZHI-WPGHFRTFSA-N 400.326 3.906 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1c(C)noc1C 203325994 IDTJPBIMXKYSCJ-KRWDZBQOSA-N 409.442 3.616 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc([C@H]3CC3(F)F)c2cn1)c1ccc(F)cc1 261127323 KLPFVPMCPPLPHL-UKRRQHHQSA-N 405.380 3.729 0 1 HHAF O=C(c1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O 299859860 ILBMLQVDTUJJKC-UHFFFAOYSA-N 412.445 3.677 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)cc(F)c2[nH]1 586965136 QVTRFNVNHWSYJM-UHFFFAOYSA-N 405.890 3.812 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(O)nc(O)nc2[nH]1 587086443 KKBQXTXGPDPFKT-SREVYHEPSA-N 417.256 3.795 0 1 HHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587113067 NWTYEDQITZLLHT-FQEVSTJZSA-N 416.403 3.866 0 1 HHAF O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1 587169338 BPVGHEYAUBARIG-MRXNPFEDSA-N 416.865 3.818 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1I)[C@@H](C2)C3=O 587426583 DGMHRJMSKYIGTP-SJCJKPOMSA-N 410.182 3.928 0 1 HHAF C[C@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551329 ZTZCYYJMVDTAIV-GHTZIAJQSA-N 407.813 3.965 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C(F)(F)F)CC2)N1 587710381 SCALTMFKSOAATB-SECBINFHSA-N 409.221 3.502 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2Cc3ccccc3C2=O)N1 587776543 XGFUQTZBWNBWTD-YUNKPMOVSA-N 403.295 3.994 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2COC(=O)C2)N1 587833313 FVNRLEGAUMDVTQ-ASNKJTAVSA-N 404.279 3.929 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@]12CCCc1c2cnn1-c1ncccn1 962381505 YLTIKZJSARJCQE-QHCPKHFHSA-N 416.554 3.701 0 1 HHAF Cc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(N)c1 962918212 HPGQOOLDNCIBQC-LADGPHEKSA-N 404.466 3.938 0 1 HHAF COC(=O)c1csc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963175825 BZTXBGWXEUWGKC-QMTHXVAHSA-N 419.808 3.895 0 1 HHAF C[C@H](NC(=O)CN)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](F)C2)cc1 1772609189 SXFAWUZTJFAXHE-QMHKHESXSA-N 411.521 3.638 0 1 HHAF CC(C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C[C@@H](C)CCCCCCO 2356431035 ZQYJKIOOBBBACO-LAUBAEHRSA-N 403.519 3.586 0 1 HHAF COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@@H]1c1ccc(Br)cc1 13816616 WSQYIXJQYZACJD-MRXNPFEDSA-N 405.248 3.756 0 3 HHAF COc1cc(C[S@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)ncc1C 13452080 KMQCJGDGVGUJBP-MUUNZHRXSA-N 417.384 3.819 0 1 HHAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3cccc4c3OCCO4)CC1)CC2 13743691 HCTAODVYUQIKOR-SFHVURJKSA-N 424.541 3.717 0 1 HHAF COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@H](COC)Cc1ccc2c(c1)OCO2 14437708 XNNGPIAYZKIQAH-MOPGFXCFSA-N 402.487 3.743 0 1 HHAF biogenic CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncnc2n[nH]cc12 29469440 FVWDJNIXECRPSL-UHFFFAOYSA-N 411.473 3.617 0 1 HHAF CC(=O)C[C@@H]1C[C@@]2(C)CC=C3CO[C@@H](CC(C)=O)[C@]3(O1)[C@@H]2/C=C/OC(=O)C=C(C)C 49067257 CHWHQKGWMYXOKD-JYYCTONOSA-N 416.514 3.847 0 1 HHAF COc1ccc(CCNc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC)n2)cc1 66102732 BZXYLLKICRAQTA-UHFFFAOYSA-N 420.513 3.652 0 1 HHAF CCOC(=O)C1=CC(=C2CCCC2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 85595058 JSHXOQIHVRPDTI-IBGZPJMESA-N 400.471 3.937 0 1 HHAF biogenic,in-vitro CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](NCC)CC2 88260889 UYCOPOHPGVBBQU-DHIUTWEWSA-N 400.588 3.767 0 1 HHAF O=C(Nc1ccc(OCCO)cc1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 95578478 WVPFINARMGFUER-JOCHJYFZSA-N 423.488 3.746 0 1 HHAF CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12 95601871 GLPNWSBFGKTKTK-UHFFFAOYSA-N 400.389 3.631 0 1 HHAF CN(CC[C@H]1CC[C@H](C(=O)N2CCC(O)CC2)CC1)C(=O)Oc1ccc(Cl)cc1 101554719 PAHWPIPXJDOVHD-CALCHBBNSA-N 422.953 3.950 0 1 HHAF CCCCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195301075 BARMHYIDIPSZOD-CQAIJBSESA-N 423.553 3.786 0 1 HHAF CS(=O)(=O)N1CC[C@H](c2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)C1 216008349 SKNDTMSDOZFWLP-AWEZNQCLSA-N 418.902 3.935 0 1 HHAF Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2N2CCCC2)C1 219667032 SUQPHIUGBSAEAH-YLJYHZDGSA-N 404.514 3.934 0 1 HHAF CCC(=O)[C@@H]1[C@H](c2ccc(I)c(F)c2)C[C@H]2CC[C@H]1N2C 253685768 MFXOPVPJQXKRIK-DJZPMSPPSA-N 401.263 3.976 0 1 HHAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 586920891 UJVMKQJDMFHJJN-UHFFFAOYSA-N 417.231 3.586 0 1 HHAF CC(C)(C)c1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586945683 ADKIQFAIOZRWFE-INIZCTEOSA-N 413.543 3.985 0 1 HHAF CN(C)CCOc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984183 NVPCYOACMBFGJY-INIZCTEOSA-N 403.324 3.508 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(I)c1)[C@@H](C2)C3=O 587429425 VCQOJYUKVLWSLY-KBXCAEBGSA-N 406.219 3.963 0 1 HHAF COCOc1cccc([C@@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587435146 DDHXBOKPSIVXDV-NTKDMRAZSA-N 403.434 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C4CCN(CC4)[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O 587437138 DJVCOAYXPTWZLN-UWUFEASWSA-N 405.494 3.527 0 1 HHAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588372 KDZYVCDKXKCNRL-CVDCTZTESA-N 405.406 3.920 0 1 HHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](NC(=O)OC(C)(C)C)C(=O)O 587623605 XYNPCMWXLUHZPN-AWEZNQCLSA-N 423.267 3.766 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 587744265 GRBMZPSELRBHHE-APBUJDDRSA-N 405.315 3.711 0 1 HHAF CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822873 MZVCPLKZBTVWMP-ZMEUYYBSSA-N 402.263 3.768 0 1 HHAF COc1ccc(OCC(=O)NC2CC2)c([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c1 963090176 IGWWTXXCDZLZCK-MZNJEOGPSA-N 410.489 3.602 0 1 HHAF CCC[C@@H]1CC(=O)C[C@@]2(C1)c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963152976 UUVKOGCQYIYCKE-RAJNIJHNSA-N 408.520 3.754 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccc(OC(C)=O)c1)C(F)(F)F 963604925 FYBAPOMVDKOYHW-FKIZINRSSA-N 409.404 3.969 0 1 HHAF COC(=O)C1=CCC[C@@](C)(OC)[C@@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 2356415084 ZCQHIVUOFDKQRZ-NZQKXSOJSA-N 408.535 3.888 0 1 HHAF CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N(Cc1ccco1)C[C@H]1CCCO1 1337265 YUEHBYHERLEJFD-YLJYHZDGSA-N 413.497 3.931 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1ccc(Cl)cc1 72139598 FZLKOFCRAILOAF-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CC(=O)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1 2498776 OHQVLAQELJUSCJ-UHFFFAOYSA-N 420.556 3.674 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCc2ccc(Cl)c(Cl)c2)cc1 4876538 DAWBBTZOEUSGBW-CMDGGOBGSA-N 414.310 3.935 0 1 HHAF Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1C 6805559 KVIDFOWDVXBARL-IBGZPJMESA-N 409.511 3.643 0 1 HHAF Cn1c(-c2ccc(S(C)(=O)=O)cc2)nc2c(Sc3ccc(F)cc3)ncnc21 13608662 FGGDPLWACYLAQL-UHFFFAOYSA-N 414.487 3.724 0 1 HHAF C=CCCCCC[C@H](OC(C)=O)[C@H](CC#CC#C[C@H](C=C)OC(C)=O)OC(C)=O 13903645 DJKKKMDXVJHGSD-VABKMULXSA-N 402.487 3.501 0 1 HHAF biogenic CCCc1c(-c2nc3c([nH]2)c(=O)n(CCC)c(=O)n3CCC)cnn1-c1ccccc1 40565621 OIFQJLUNVXZJQR-UHFFFAOYSA-N 420.517 3.512 0 1 HHAF COc1cc(C(=O)c2cc(-n3cncn3)ccc2-c2ccc[nH]2)cc(OC)c1OC 64564773 LGOCPBQRVZUHKB-UHFFFAOYSA-N 404.426 3.519 0 1 HHAF COc1cc(-c2ccc3ncnc(NCCc4c[nH]cn4)c3c2)cc(OC)c1OC 66148078 IMVXXIOTEBRKDU-UHFFFAOYSA-N 405.458 3.700 0 1 HHAF COc1ccc(OCCCCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC 95583168 WBVHGYOQOZCEPK-IBGZPJMESA-N 400.519 3.999 0 1 HHAF CNC(=O)c1cc(F)ccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 143821353 FLCMVFHISLHISR-UHFFFAOYSA-N 418.476 3.996 0 1 HHAF CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 169292908 OHVAIXHVENNVJI-PPJWLVRDSA-N 419.569 3.544 0 1 HHAF COc1cc(C[C@@H](C)[C@@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 238771087 CYZCXBPLKCLBKE-CHWSQXEVSA-N 404.459 3.830 0 1 HHAF NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975881 GRBANUZLWIUMGA-UHFFFAOYSA-N 421.103 3.947 0 1 HHAF O=C(O)CCCc1nc2ccc(O)c3c2c(c1CCC(=O)O)-c1ccccc1C3=O 586989970 HCBKIBRQUDRCMK-UHFFFAOYSA-N 405.406 3.576 0 1 HHAF Nc1ncnc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 587160693 AZEFZOXWRDSASH-UHFFFAOYSA-N 401.199 3.691 0 1 HHAF Sc1nc(S)c2nc(/C=C\c3cccc(I)c3)[nH]c2n1 587183757 IKLOZXGAKYGOHU-PLNGDYQASA-N 412.281 3.705 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587229526 BKTJUQOFXPXHLC-WDEREUQCSA-N 420.382 3.648 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587440301 YAWBVKUPLVBECO-NVVBAYIOSA-N 407.466 3.860 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1CC(=O)O)CC2=O 587482128 SBZVRGFDHLGVNU-SFHVURJKSA-N 400.427 3.696 0 1 HHAF Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587508798 FJJZUXJQGJRNES-OYLFLEFRSA-N 401.466 4.121 0 1 HHAF O=C(O)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587596424 OOSCRWAONUXTCY-NFBKMPQASA-N 406.390 3.949 0 1 HHAF COc1ccc(C=O)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 587787937 STHNRGFHEMWXIV-UHFFFAOYSA-N 411.053 3.971 0 1 HHAF CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799592 SPUKVCZEKOKDNS-CENXUZMRSA-N 412.299 3.640 0 1 HHAF COc1ccccc1C[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807040 LKBAXDCNVLCJIX-WLRWDXFRSA-N 408.267 3.654 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 587826190 DDLUBDUWQNIVQQ-WYRIXSBYSA-N 424.266 3.747 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 587847851 YVWJWJJREXSHNF-ZMZPIMSZSA-N 410.308 3.543 0 1 HHAF CC(=O)[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962661928 IMFVQCIECPBHNP-PKTZIBPZSA-N 408.885 3.819 0 1 HHAF CC1=C[C@@]2(N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c2cc(Br)ccc2O1 963527633 PVWSVLIGQWJUPZ-MGPUTAFESA-N 416.271 3.602 0 1 HHAF OCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(Nc2ccc(F)cc2)n1 1772587066 JBJPUEZCBPRLHJ-UHFFFAOYSA-N 400.433 3.633 0 1 HHAF CN1Cc2c(C3=CCCN(CC(=O)O)CC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772600512 SBEZNEYQRVAHOI-UHFFFAOYSA-N 406.461 3.883 0 1 HHAF CN1CCCN(c2ncc(-c3ccc4c(Nc5ccccn5)ccnc4c3)cn2)CC1 1857546393 YIEJMCQPXHVQKU-UHFFFAOYSA-N 411.513 3.972 0 1 HHAF C[C@]12CC[C@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@@]3(CCC(=O)O3)[C@@H]12 2356306114 DNRQDQGLQOWBRA-RJKNLUKFSA-N 401.547 3.584 0 1 HHAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)Nc1ccccc1 2356839501 LVCZIDTYAGVTHB-KIFXHHALSA-N 404.558 3.577 0 1 HHAF CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 13596257 SQWITMCFJXIWJZ-LJQANCHMSA-N 424.566 3.980 0 3 HHAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 769888 CBEYXFXFGYQNQE-FQEVSTJZSA-N 421.419 3.708 0 1 HHAF Cc1nc2c(C(=O)NCCCN3CCC[C@H](C)C3)cnn2c(C)c1Cc1ccccc1 3041051 VMLNAKFYBOPWCE-SFHVURJKSA-N 419.573 3.789 0 1 HHAF CCCCN(C)C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 8596179 MZASGHCTUOHSSO-INIZCTEOSA-N 411.481 3.899 0 1 HHAF NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)CSc1ccc(Cl)cc1 13587004 CCIWCIGRXZNQGI-UYAOXDASSA-N 405.995 3.616 0 1 HHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc3c(c2)CCS3(=O)=O)cc1 13589001 PGYLWDQHJOXVCV-UHFFFAOYSA-N 408.401 3.897 0 1 HHAF COC(=O)C[C@@H](c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O 13911008 QHRUOVZCUAYCJQ-IBGZPJMESA-N 423.465 3.917 0 1 HHAF COc1ccccc1NC(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 27555255 VDLBMOUSZAKCSU-QGZVFWFLSA-N 416.949 3.993 0 1 HHAF Fc1cnc(NCc2ccccn2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 28569959 YICYMVKQLJVOAW-UHFFFAOYSA-N 420.404 3.793 0 1 HHAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(c1ccccc1)C(F)(F)F 73170135 RLDJZGNASCLVON-UXHICEINSA-N 408.372 3.802 0 1 HHAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCc3ccc(C)cc3)c2cc1OC 82130210 QBCAZAMRYFCYJR-GOSISDBHSA-N 422.529 3.776 0 1 HHAF C[C@@]1(c2cc(CC(=O)c3coc(C(F)(F)F)n3)ccc2F)CCSC(N)=N1 96172069 DGAJIIJBZAVHAK-INIZCTEOSA-N 401.385 3.925 0 1 HHAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)nc(NC2CC2)n1 96923389 NOGNCSOXUGAFAW-RVDMUPIBSA-N 423.391 3.809 0 1 HHAF COc1ccc2nc(N3CCC[C@@H]3C(=O)N[C@H](C)Cc3ccsc3)nc(C)c2c1 104462826 KTRQXSOJJPPGBG-JLTOFOAXSA-N 410.543 3.725 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)[C@@H]2C1 116824378 HDDZEXAXEGCJCU-UYAOXDASSA-N 402.498 3.606 0 1 HHAF COC(=O)COc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116910876 XNAWHPNAHWCHFR-MRXNPFEDSA-N 417.177 3.780 0 1 HHAF O=C(Nc1ccccc1)N1CCN(Cc2cccc(OCCN3CCCCC3)c2)CC1 200260120 SENGRMNVWQSOMK-UHFFFAOYSA-N 422.573 3.901 0 1 HHAF O=C1Nc2cc(NC(=O)c3cccn(-c4ccccc4)c3=O)ccc2/C1=C/c1ccc[nH]1 205816788 UYSFAABBXSRBTC-STZFKDTASA-N 422.444 3.911 0 1 HHAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)C2 586886179 ONBMWOYAZKOMRS-CIUDSAMLSA-N 413.646 3.855 0 1 HHAF COc1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586950670 JWOFAPPBMBAJLN-UHFFFAOYSA-N 400.504 3.504 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(Br)c2[nH]1 587193659 CXHATYUKMQFKDG-LBPRGKRZSA-N 415.307 3.982 0 1 HHAF CC(C)[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198200 BGFNWWIOEDXMHH-IBGZPJMESA-N 415.515 3.932 0 1 HHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(C2CC2)n1 587229611 IZLUXUDNBPUTTO-UHFFFAOYSA-N 406.490 3.811 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(I)cc(C)c1N)O2 587386887 MHSKAALCSZTTHG-SFHVURJKSA-N 422.266 3.953 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C 587489000 AEIBXLPXMSNFCY-JDORSLCVSA-N 408.516 3.763 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC 587587598 NJMOLXMBKLBKBF-YLJYHZDGSA-N 409.394 3.516 0 1 HHAF C[C@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595705 QFIKNYUVEGECDM-GBXCKJPGSA-N 414.417 3.523 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 587837198 DETWVGGOXXPJIL-OVWNDWIMSA-N 404.235 3.970 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn(CC)c2nc(C)ccc2c1=O 587873069 UUEITBVOAFVGBX-UHFFFAOYSA-N 420.444 3.815 0 1 HHAF O=C(O)c1cc(S(=O)(=O)Nc2ccccc2Br)c2ccccc2c1O 653727959 ZGOONDIGLCVNFD-UHFFFAOYSA-N 422.256 3.807 0 1 HHAF O=C(NCC1CCCCC1)c1cccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)c1 653806069 NMXKAXIVZFOEPP-BKUYFWCQSA-N 419.481 3.800 0 1 HHAF NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)cc1Nc1ccccc1Br 1772600635 ONXKXNWZCWHUJG-NVXWUHKLSA-N 403.324 3.973 0 1 HHAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2cccc(N)c2)nn1 1857760052 AQTBHEJBDHAXTO-UHFFFAOYSA-N 420.420 3.622 0 1 HHAF CC(C)(C)C(=O)O[P@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OC(=O)C(C)(C)C 3941180 HSYGXUMLIHKFDI-UHFFFAOYSA-N 413.127 3.625 0 1 HHAF O=C(O)[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 13730400 UBSHWCISTSWXML-KRWDZBQOSA-N 424.950 3.907 0 1 HHAF O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 27209564 PLNFKYPQSOGZAX-SFUIVIKGSA-N 420.937 3.778 0 1 HHAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(NC(=O)c4ccccn4)c3c2)cc1 28957605 UDBGVXBZSGHAOV-UHFFFAOYSA-N 418.478 3.921 0 1 HHAF O=C(O)CCCNc1c(Br)cccc1Nc1ncnc2ccncc12 29133635 KGCNYHNIIAEQSM-UHFFFAOYSA-N 402.252 3.808 0 1 HHAF Cc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Br)cc2F)n1 38512911 RYVKIABDAXCSEP-UHFFFAOYSA-N 421.245 3.836 0 1 HHAF COc1cc2nc(NCCn3cccn3)nc(NCCc3ccccc3)c2cc1OC 45194202 QMSIVQUJPRZTFH-UHFFFAOYSA-N 418.501 3.610 0 1 HHAF COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(C)Cc3ccccc3)n2)cc1 82067212 VUHQJAXGDKPSKG-UHFFFAOYSA-N 423.517 3.739 0 1 HHAF COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCN2CCCCC2)ccc1O 82179205 KRYUJEIZKFLBJR-UHFFFAOYSA-N 422.533 3.515 0 1 HHAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)nc(OC3CCN(C)CC3)c12 95564438 FIANSBOCDIOYRY-OAHLLOKOSA-N 417.517 3.856 0 1 HHAF CCCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 95572943 GJJUVRHRHOIJDZ-INIZCTEOSA-N 403.523 3.624 0 1 HHAF COc1cc2ccc(=O)oc2c(-c2c(OC)c(OC)cc3ccc(=O)oc23)c1OC 144653478 HLKJPKLRJNYFRZ-UHFFFAOYSA-N 410.378 3.601 0 1 HHAF Cn1nc2c(c1-c1cncnc1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 225976109 VTVJFJRREFXZQQ-UHFFFAOYSA-N 421.810 3.748 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncc(F)cc4Cl)ncc23)ccn1 261189944 YTJIIWWTIYPHDO-UHFFFAOYSA-N 411.828 3.838 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(C)=O)cc2[nH]1 586938156 VGJSTDYEURJZFM-KRWDZBQOSA-N 403.529 3.538 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@H]2CCCC[C@@H]21 586961630 SIGTTYCKSPEPTO-SNPRPXQTSA-N 417.922 3.701 0 1 HHAF Cc1cc2c(Br)ccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2o1 587004646 XFZNHBNZWCGIJI-UHFFFAOYSA-N 406.261 3.694 0 1 HHAF O=C1C[C@]2(CCN(Cc3ccccc3)C[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587517880 WSFOJQUKINRTTR-OFVILXPXSA-N 405.494 3.876 0 1 HHAF Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587830627 VOZNVUKXPAABKC-YUNKPMOVSA-N 420.278 3.984 0 1 HHAF O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12 653783774 NZABUGASWCRVSP-UNMCSNQZSA-N 400.482 3.666 0 1 HHAF Cc1nc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)cc2)no1 962626463 GYDSINRITJGUPC-IRXDYDNUSA-N 419.359 3.632 0 1 HHAF CN1CCc2cnn(C)c2[C@]1(C)c1ccccc1Oc1nccc(C(F)(F)F)n1 963953889 DWOWEWBNOQOESS-IBGZPJMESA-N 403.408 3.773 0 1 HHAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(F)cc1 1772598120 XECUJMAUWGIGPW-WOJBJXKFSA-N 404.432 3.757 0 1 HHAF CC(=O)N1CC[C@@H](Nc2nccc(-c3c(-c4ccccc4)noc3C(F)(F)F)n2)C1 1857774217 RTUQUPKUEUKKGZ-CQSZACIVSA-N 417.391 3.850 0 1 HHAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356687453 QHOWASXKMOHCHB-HFMPRLQTSA-N 400.563 3.822 0 1 HHAF COC(=O)c1ccc([C@]2(C)CCCC(C)(C)C2)c2c1CN(CC(=O)O)C(=O)[C@@H]2C 2356796027 MSTQSHIHGIEVOX-QKFKETGDSA-N 401.503 3.861 0 1 HHAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@@]32C(=O)CCC(=O)C[C@@H](CO)C1 2356801650 QTVNNEMBCMYHSR-IKHQDVPNSA-N 415.574 3.613 0 1 HHAF COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(Cc1ccc(CO)o1)CC2 12715579 SZXJTSYJKKNDJI-UHFFFAOYSA-N 420.509 3.910 0 3 HHAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 774158 HVVYESXREORYJT-LJQANCHMSA-N 418.449 3.944 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4050136 QTPUUATVWKPITC-RCLSDMTESA-N 416.880 3.991 0 1 HHAF Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(C(=O)c3cccnc3)CC4)ccc2s1 12135557 BJUNJEWUMLOJOV-KRWDZBQOSA-N 406.511 3.881 0 1 HHAF O=C(c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)N1CCOCC1 13124754 JGPCXBWYLCIULB-LJQANCHMSA-N 421.888 3.518 0 1 HHAF CCCCC[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)OC(C)=O 13339044 IDRDPQADACSXNY-ZQGVEFHQSA-N 408.535 3.910 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2sccc2Cl)CC1 13740994 HAISIGWLLOPIBJ-UHFFFAOYSA-N 407.967 3.742 0 1 HHAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)cc(-c2ccc(Cl)cc2)c1 13807604 HYUSLDXPNJPIES-SFHVURJKSA-N 410.861 3.632 0 1 HHAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC2(O)CCCC2)cc1 29414262 BQJIFVOOSUPULW-UHFFFAOYSA-N 415.433 3.855 0 1 HHAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@H](C)O[C@@H](C)C1)C(F)(F)F 34802049 YRAUBPBLFNFPPH-CKFHNAJUSA-N 407.448 3.905 0 1 HHAF O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)C1CCCC1 40423263 IQQPNFBFZUKMFS-UHFFFAOYSA-N 409.559 3.597 0 1 HHAF COC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 45334840 QDLUMGCEKCTYNV-UHFFFAOYSA-N 403.818 3.865 0 1 HHAF Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CO)c2)c1 66066083 JJGUQLWIOGFTKP-UHFFFAOYSA-N 422.510 3.569 0 1 HHAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccccc2F)C1 82151798 JOTVLIMQDXLJMN-JKSUJKDBSA-N 400.498 3.992 0 1 HHAF COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)c1 84619710 FREMLFWHULTLBX-NVNXTCNLSA-N 406.257 3.853 0 1 HHAF CC(C)NC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@@H]2c1ccc(Br)cc1 100087608 ORIAPRUJFKWFRS-QDMKHBRRSA-N 420.273 3.581 0 1 HHAF Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3nncc3CO)c1)=N2 101383393 SPYAFLKKPXAWLZ-UHFFFAOYSA-N 415.375 3.550 0 1 HHAF O=C(CCNCCC(=O)Nc1ccc2ccccc2n1)Nc1ccc2ccccc2n1 299869958 VRZBCBPSMUDQQS-UHFFFAOYSA-N 413.481 3.730 0 1 HHAF Cc1csc(SCc2ccc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2)n1 587022532 YIBAYWLNEAZTHU-UHFFFAOYSA-N 416.553 3.935 0 1 HHAF CCOC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234162 HEFDJCLCOUUYIL-UHFFFAOYSA-N 401.463 3.603 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345789 GPMIDEGADXUFEL-OFNKIYASSA-N 412.413 3.561 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc(CC(=O)O)n1C)[C@@H](C2)C3=O 587432642 XZZDAAYPXFSTEG-UQBPGWFLSA-N 417.461 3.660 0 1 HHAF O=C(c1cc(-c2ccc[nH]2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658491 RUWQLISCSSSIIK-UHFFFAOYSA-N 417.375 3.748 0 1 HHAF CCCCNC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587665529 SBBNQCODWWEDFI-UHFFFAOYSA-N 408.502 3.973 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2nccn2C)N1 587754223 KTPRPTJJBUAMBA-CWTRNNRKSA-N 401.283 3.543 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757153 NJVPYMLXFZXELS-DGIBIBHMSA-N 424.314 3.674 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587849420 LJKCCPZVNHGXGG-VOJFVSQTSA-N 412.324 3.789 0 1 HHAF Cc1nc2cc([C@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)ccn2c1C 962676830 ZZBSKXUHUULFRN-URXFXBBRSA-N 400.482 3.687 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@](Cc2ccncn2)(c2ccc(F)cc2)N1)C(F)(F)F 962728583 FJVOTXIGWYIBAV-CTNGQTDRSA-N 415.390 3.748 0 1 HHAF CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(CN[C@H]4CCCOC4)cc3)nc21 1772621550 WIQXNSPNKPGRAG-LPHOPBHVSA-N 423.561 3.912 0 1 HHAF CCOC(=O)C1=NN(c2ccc(C)cc2)[C@]2(C)C[C@@H](c3ccccc3)N(C)CCN12 2356834596 KCWUHYUAIRAHNB-XUZZJYLKSA-N 406.530 3.787 0 1 HHAF CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(NC(=O)c2ccco2)cc1 2642759 HCPORXUQDDSACY-UHFFFAOYSA-N 410.426 3.915 0 3 HHAF O=S1(=O)C=C[C@@H](COCc2ccccc2)N1Cc1ccc(Br)cc1 72136742 GSGQMERQDFFDRC-SFHVURJKSA-N 408.317 3.694 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 95566829 LWQBUTMHJRXIKQ-IBGZPJMESA-N 405.903 3.884 0 3 HHAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOCCO 4213661 JLVBAOBTPBRHLN-OALUTQOASA-N 414.905 3.618 0 1 HHAF O=C(Nc1ccc(F)c(F)c1)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 4880224 GBHJPRRCKWIDHW-QGZVFWFLSA-N 408.451 3.685 0 1 HHAF COc1ccccc1N1CCN(CCCOC(=O)C23CC4CC(CC(C4)C2)C3)CC1 13802787 LNAYHHXHHRSQIP-UHFFFAOYSA-N 412.574 3.967 0 1 HHAF CC(C)CCNC(=O)c1ccc(N2CCC(Oc3c(F)cccc3F)CC2)nn1 28655332 IWSXNYWHMLHGSY-UHFFFAOYSA-N 404.461 3.579 0 1 HHAF CCCN(CCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 34801041 UTWODMYAWGDPAE-MRXNPFEDSA-N 413.468 3.803 0 1 HHAF O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)O1 40976693 RMAMQNKLHRDEKZ-UHFFFAOYSA-N 414.465 3.766 0 1 HHAF Nc1ncc(I)c(-c2c[nH]c3c(Br)cccc23)n1 72111171 CZKJPGUZYCCIBW-UHFFFAOYSA-N 415.032 3.574 0 1 HHAF CCN(C(=O)C[18F])c1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 101473816 PUVWOAUSAZFXJD-PWSGCDAXSA-N 409.536 3.717 0 1 HHAF C/C=C1\C([C@@]2(C)CCCC(C)(C)C2)=C[C@H](O)[C@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@H]12 101977320 MHDUGZBUXWJHKW-JEBUWBOWSA-N 406.519 3.881 0 1 HHAF CC(C)(C)OC(=O)C[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C 139090968 VUAFUTLGMQEWHT-RDRICISKSA-N 411.520 3.599 0 1 HHAF Cc1cc2c(C(=O)O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 142245517 KXNUKESNHXXSCU-UHFFFAOYSA-N 413.481 3.685 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)nc1 143506496 QCRCCLQMANACRB-KRWDZBQOSA-N 417.513 3.957 0 1 HHAF COc1cccc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)n1 145562753 BOZCXHJHINBWSL-UHFFFAOYSA-N 418.486 3.622 0 1 HHAF O=C(c1cccc2cncn12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 149554758 AYSZLOKFUQJLFZ-IBGZPJMESA-N 408.408 3.811 0 1 HHAF Cc1cccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167829133 CSZVKSLMTGRXTI-UHFFFAOYSA-N 401.510 3.520 0 1 HHAF CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc21 169309882 IXCAEUMWYVWNPC-LJAQVGFWSA-N 408.454 3.512 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@@H]2CC[C@@H]1N2C 169366285 ABXUYGWOEIXKBD-HIFANLLHSA-N 411.283 3.832 0 1 HHAF Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2)c2c(N3CC(F)(F)C3)ncnn12 169697339 QYLPTJWEOSZBMD-UHFFFAOYSA-N 415.835 3.609 0 1 HHAF COc1cc(-c2nn(Cc3ccc(F)cc3F)c3c2CN(C(C)=O)CC3)ccc1F 204891743 PSRUILUTVMGREU-UHFFFAOYSA-N 415.415 3.929 0 1 HHAF C[C@@H](Oc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1)C1CC1 205102919 PIBBGQXUWFPWDI-CQSZACIVSA-N 400.482 3.856 0 1 HHAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3ccc(F)cc3)ccc1-2 209710508 CEVGGJKJTXISSK-HXUWFJFHSA-N 422.456 3.742 0 1 HHAF C[C@@H](c1ccccc1)c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1 221407197 RDVJAKLUKANESW-PKOBYXMFSA-N 403.530 3.949 0 1 HHAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc(F)c(Cl)c1 223547388 ZFIVXDMTQOXNGE-UHFFFAOYSA-N 414.868 3.737 0 1 HHAF C[C@H]1Cc2c(nnn2-c2ccccn2)CN1C(=O)c1ccc(F)c(Cl)c1Cl 225979213 XRMJMDHRJHUDSH-JTQLQIEISA-N 406.248 3.695 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 587179708 HPYJIQCVGFHRLM-UHFFFAOYSA-N 414.634 3.782 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]cc(I)c3c1)O2 587387272 POBDTDRHIKUEDY-HNNXBMFYSA-N 419.222 3.765 0 1 HHAF COc1cc2c3c(c1)O[C@](c1cccs1)(c1sc(C)nc1C(=O)O)[C@@H](C2)C3=O 587450758 KIKXHDRCPZKQTQ-FKIZINRSSA-N 413.476 3.911 0 1 HHAF CCOC(=O)[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550927 WFQPPLOAYIBVNG-KXBFYZLASA-N 410.344 3.998 0 1 HHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2N/C1=C\Cl 587648919 JOVNCZOOIJABLI-LICLKQGHSA-N 401.875 3.990 0 1 HHAF COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587810734 VTVFHERTZZONBJ-GIGQVBGESA-N 408.267 3.878 0 1 HHAF CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822811 MLVITGNWTQAONA-XGGWZBKUSA-N 402.263 3.768 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 587846598 UYTLDWCVAUYHAK-HXPMCKFVSA-N 424.335 3.934 0 1 HHAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(CSC(C)=O)c2O)n1 587944819 IZFBCAJMCIYFNI-UHFFFAOYSA-N 421.475 3.889 0 1 HHAF CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1 1772588945 QQCCFMCJVKPTMI-ZDUSSCGKSA-N 400.280 3.823 0 1 HHAF C[C@@H]1CCCN(c2nc(O)c(-c3nc4ccccc4s3)c(N[C@@H]3CCCNC3)n2)C1 1772592965 OTOVRTZJSLEATH-HUUCEWRRSA-N 424.574 3.859 0 1 HHAF C[C@H](NC(=O)C1(O)CC1)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1 1772622976 LRDVLAXBAWFGDJ-SFHVURJKSA-N 420.553 3.736 0 1 HHAF Clc1n[nH]c2ccc(CN3CCC(c4nnn5cnc6[nH]ccc6c45)CC3)cc12 1772639090 DJNJXZRJRIANNM-UHFFFAOYSA-N 406.881 3.515 0 1 HHAF COc1ccc(OC)c(/C=C/C(=O)OC/C=C/c2cc(OC)c(OC)cc2OC)c1 1857594045 GQJWCFHXOXJOTK-HRCSPUOPSA-N 414.454 3.999 0 1 HHAF COc1cc2c(cc1OC)[C@H](C)N(C(=O)Cn1ncc3c1-c1ccccc1OC3)CC2 5055203 IDEQICXOOXTKTQ-HNNXBMFYSA-N 419.481 3.606 0 3 HHAF O=C(c1ccco1)N(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)cs1 20097665 KEKZIKVZCOMAJR-UHFFFAOYSA-N 415.490 3.911 0 3 HHAF OC[C@H](CCc1ccccc1I)C1=CCC2(CC1)OCCO2 1861338 ZZWADSABOYPTSV-INIZCTEOSA-N 414.283 3.686 0 1 HHAF Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)sc2ncnc(NCc3ccco3)c12 12048939 QHSOQHCVBVTXNF-ZDUSSCGKSA-N 400.504 3.892 0 1 HHAF O=c1c2ccccc2nc2scc(CN3CCN(c4ccccc4Cl)CC3)n12 13780727 HDCAWGFZPLLOJA-UHFFFAOYSA-N 410.930 3.885 0 1 HHAF COC(=O)c1c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc(C)nc1C 29223715 SIZAVOREOVRNKN-UHFFFAOYSA-N 414.469 3.944 0 1 HHAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1F 38346547 RTHSFVJJKPPSPT-AWEZNQCLSA-N 406.523 3.915 0 1 HHAF O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCC[C@@H](OCCCN2CCOCC2)C1 43067065 YPUVSUVAEBMZCZ-SCUHVEEESA-N 418.622 3.759 0 1 HHAF NCCN(Cc1ccc(CNCc2ccccn2)cc1)[C@H]1CCCc2cccnc21 49113552 OBCGVCHGTISUSB-DEOSSOPVSA-N 401.558 3.605 0 1 HHAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2ccc(-c3ccccc3)cc2c1=O 71334525 FRGFJWIJQIKMDM-HXUWFJFHSA-N 404.422 3.651 0 1 HHAF CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1 72118906 LPIQIFJZJAJRLD-XMMPIXPASA-N 403.526 3.951 0 1 HHAF Fc1ccccc1CCNc1ncnc2c1nc(-c1cccnc1)n2C[C@H]1CCCO1 82180715 RSCUQONILNHAJD-GOSISDBHSA-N 418.476 3.861 0 1 HHAF COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3cccc(F)c3)ncnc21 82181448 BVQHAHJVTXCACX-UHFFFAOYSA-N 423.448 3.605 0 1 HHAF c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCOCC4)cc3)nnc1-2 96174016 RCZZSJMNLMGNGX-UHFFFAOYSA-N 410.481 3.886 0 1 HHAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(OCC(F)(F)F)c(F)c3)c3c(N)nccn32)C1 100618809 LZKVGKFWOGQBDJ-MXXVBZNESA-N 410.371 3.687 0 1 HHAF COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(oc12)CCNC3 147571577 DTGHNNVGSTZBTB-UHFFFAOYSA-N 409.410 3.521 0 1 HHAF COc1cccc(CCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167889532 OTOOZNWBJGFDPJ-UHFFFAOYSA-N 417.509 3.819 0 1 HHAF CC1CCN(C(=O)c2cccc(-c3ccc(F)c(CN[C@@H](CO)C(C)C)n3)c2)CC1 204420089 OBIIBSKJGHOOPC-QHCPKHFHSA-N 413.537 3.866 0 1 HHAF Cc1ccc(CC2(O)CCN(CCNC(=O)Nc3ccnc4ccsc34)CC2)cc1 220150947 VIZQDUDWNGSXCI-UHFFFAOYSA-N 424.570 3.796 0 1 HHAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3F)CC2)nc2ccccc12 253694459 AGEXNHZEGLFEDD-IYBDPMFKSA-N 407.493 3.988 0 1 HHAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587247573 POSWPTOKFZWBOQ-UHFFFAOYSA-N 420.494 3.733 0 1 HHAF COc1cc(OCCCC(=O)O)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587402276 WSVWZGLIZMKYJL-IBGZPJMESA-N 415.442 3.545 0 1 HHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1Cc1cc3c(O)nc(O)nc3nc12 587560764 JXVKZKKGIUYWHE-ZSHZCXHYSA-N 409.530 3.853 0 1 HHAF Cc1c([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587707350 UJAKIRRYZPBJMR-GLEZIHRCSA-N 406.221 3.970 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cn(C)c3ccccc23)N1 587753272 AUNAODAVNQIBQC-YBTHPKLGSA-N 417.278 3.942 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3cccc(F)c3)c2O)c(O[C@@H]2CCOC2)c1 587924609 FOQWKJJFSXAKKJ-MRXNPFEDSA-N 413.401 3.649 0 1 HHAF COc1ccc2c(c1)[C@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)N[C@@H]1CC[C@H]21 962995623 NIKRZRBRUVSUEG-OMXJDXKCSA-N 421.453 3.633 0 1 HHAF CCOC(=O)c1ccc(CN2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=S)cc1 1857753425 BFQBPZYSOQWJCH-UHFFFAOYSA-N 418.902 3.659 0 1 HHAF COC(=O)[C@@]12C[C@H]3C[C@@H](C(C)C)[C@H]1N(CCc1c2[nH]c2cc(OC)c(OC)cc12)C3 2356374816 HDMZJSUFXDYYFB-VNPQVAFXSA-N 412.530 3.518 0 1 HHAF COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)c1 12507600 JWBIYAOBZDGAOQ-IBGZPJMESA-N 410.514 3.548 0 3 HHAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1 61895436 NGUPXDXIAVVOAW-OAQYLSRUSA-N 403.438 3.658 0 3 HHAF O=C(O)CCc1cccc2c1O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CC3CCCCC3)[C@@H]21 3800589 UQTNNJRLITVZKP-PQEHKDGBSA-N 400.515 3.817 0 1 HHAF CC(C)OCCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 15968999 ZMNIROINESASHX-GGAORHGYSA-N 417.509 3.569 0 1 HHAF biogenic CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccc(OC)c(OC)c1)CCC3 28968712 WYEHYESVLJWQPZ-IBGZPJMESA-N 410.470 3.531 0 1 HHAF Nc1nc2c(cnn2CCc2ccc(-c3cccnc3)cc2)c2nc(-c3ccco3)nn12 40935253 ZJQSURJYBMOICS-UHFFFAOYSA-N 422.452 3.621 0 1 HHAF Cc1cc(C(=O)N2CCN([C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 72186089 SAEBHFMDSZRZHC-HXUWFJFHSA-N 414.868 3.718 0 1 HHAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(F)cc2)C1 82140137 CZVYNRAXIUEKAE-CVEARBPZSA-N 400.498 3.992 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632992 PPRBSDCAAZRDHI-YWZLYKJASA-N 418.522 3.750 0 1 HHAF C/C=C/c1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 103231820 YWJJIZDJLXSKMI-KOMIRPDLSA-N 402.443 3.975 0 1 HHAF COc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1 114916628 HKZQWVNTJGGIBS-OYHNWAKOSA-N 400.450 3.899 0 1 HHAF c1cc(Nc2ncc3c4sncc4n(C4CCCC4)c3n2)ncc1N1CCNCC1 117689322 FPCMXTPKEVSVSI-UHFFFAOYSA-N 420.546 3.704 0 1 HHAF O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1C(=O)N[C@H](CCc2ccccc2)C1=O 169727267 BHLLOWUBZTXFOH-YADHBBJMSA-N 404.510 3.989 0 1 HHAF COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cccnc4N)ccc23)c(F)c1 221625398 SEFMYTDKPUKFPP-UHFFFAOYSA-N 416.456 3.911 0 1 HHAF COc1cc(OC)c2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2c1 587125224 OSGQOLIKHDRNNM-UHFFFAOYSA-N 415.393 3.817 0 1 HHAF Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166076 MACNSNOJHPHCJM-UHFFFAOYSA-N 412.490 3.933 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 587182182 MKXQYPFFLCBYTK-ZETCQYMHSA-N 421.164 3.696 0 1 HHAF Sc1nc(S)c2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 587183686 GOSKHYOTCCIBDT-UHFFFAOYSA-N 420.688 3.855 0 1 HHAF Fc1cnc(Br)c2[nH]c(-c3cncc(I)c3)nc12 587185038 PAQOSOAUGGZBEH-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 587349694 VLGCLKWYSWMYFM-CVDCTZTESA-N 418.380 3.747 0 1 HHAF CCc1cc(Br)cc2c1NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587370495 FIWMQSOQJZGISZ-LJQANCHMSA-N 401.260 3.715 0 1 HHAF COCOc1ccc([C@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435445 GIPULWHFJNOBIT-DVECYGJZSA-N 403.434 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)[C@@H](C2)C3=O 587445612 WWGGNWHUWPWMGU-IYTFNUFZSA-N 414.502 3.615 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(S(C)(=O)=O)cc4)nc1)[C@@H](C2)C3=O 587448370 INHKCRNXZJPAPP-FDDCHVKYSA-N 421.474 3.649 0 1 HHAF COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526226 SBWBPMYMXYJVAW-DEOSSOPVSA-N 408.450 3.567 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](F)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587571244 PUENULFIVYPOAI-JKSBSHDWSA-N 415.417 3.681 0 1 HHAF COc1ccc(C=O)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 587786386 GMJXHMMNYIYBKS-UHFFFAOYSA-N 413.602 3.704 0 1 HHAF CCOC(=O)C[C@@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851247 BMCPSOPAUHUJMZ-DYZYQPBXSA-N 413.312 3.776 0 1 HHAF Cn1cc(-c2ccc(-c3cncc4ccc(N5CCCS5(=O)=O)cc34)cc2)cn1 653823885 XOTPZBXWJPZQBY-UHFFFAOYSA-N 404.495 3.842 0 1 HHAF Cc1noc(C)c1-c1ccccc1CNc1c(C)nc2c(N3CCOCC3)nccn12 1772589078 YDPCKDMPHIJKJO-UHFFFAOYSA-N 418.501 3.758 0 1 HHAF COC(=O)C1=CCC[C@](C)(OC)[C@@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 2356415086 ZCQHIVUOFDKQRZ-REWPJTCUSA-N 408.535 3.888 0 1 HHAF O=C(c1c[nH]c2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 2356427706 KRBMRKCWXILMNK-PTRHGPIFSA-N 403.526 3.563 0 1 HHAF CC(C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C[C@H](C)CCCCCC(=O)O 2356431938 KUYFQMXHLKRNIU-OXQOHEQNSA-N 417.502 3.678 0 1 HHAF O=C(c1nc2ccccc2[nH]1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 2356773030 OVLJJMIUYIMNKK-HNNXBMFYSA-N 405.376 3.502 0 1 HHAF Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)n1 4411591 DADSECVBBZZYMI-UHFFFAOYSA-N 415.500 3.984 0 3 HHAF O=C(Nc1cccc(Cl)c1)OCCN1CCN(Cc2ccccc2)CCC1=O 8680263 QEJWTNYCWDNQTO-UHFFFAOYSA-N 401.894 3.623 0 3 HHAF Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)Cc2ccccc2C)C3)n1 11977539 PEOPSTXZIHJRGF-FQEVSTJZSA-N 405.473 3.870 0 1 HHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C[C@@H](C)O 13586224 CRZUSGCYXFZXTQ-GFCCVEGCSA-N 400.479 3.812 0 1 HHAF COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nn2C(C)=O)cc1OC 28462819 JTSGZFUSZWTINU-UHFFFAOYSA-N 412.442 3.920 0 1 HHAF CC1(C)C=C(C(=O)NCCCNCc2ccc(OCc3ccccc3)cc2)C(C)(C)N1 40466837 ZQCINAVSRLVBOV-UHFFFAOYSA-N 421.585 3.948 0 1 HHAF O[C@H](CNC[C@@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72182054 NIFSLPNXPNHSGO-QMTHXVAHSA-N 407.358 3.505 0 1 HHAF CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 82068780 KZTKZMQLFSRNPC-JTSKRJEESA-N 408.506 3.839 0 1 HHAF O=C(c1nccc2ccccc12)N1CCC(Oc2nccnc2C2CCOCC2)CC1 96168934 DRDXHWMPCIIWKS-UHFFFAOYSA-N 418.497 3.602 0 1 HHAF Brc1ccc(CSc2nnc(Cn3nnc4ccccc43)o2)cc1 96271741 MHVGVZWNCUWMDZ-UHFFFAOYSA-N 402.277 3.917 0 1 HHAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](C(C)C)C1 101283023 JOCGWOQFKXCOGL-CFXNPWLASA-N 413.650 3.991 0 1 HHAF COc1ccc2c(c1)[C@@H](c1ccccc1)N(S(=O)(=O)c1ccc(C(=O)O)cc1)CC2 115731102 YKKCPJNAHCFTDC-JOCHJYFZSA-N 423.490 3.730 0 1 HHAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@@H](C)C2)cc1 144178068 AWNNMHAOHAAAAE-GHOSXJJBSA-N 403.574 3.806 0 1 HHAF CCOC(=O)c1ccc(Nc2nc(N[C@H](CC)CO)nc3c2ncn3C(C)C)cc1 299862519 NESOOEHUKJSCBN-OAHLLOKOSA-N 412.494 3.510 0 1 HHAF O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1cccc(Cl)c1 473094056 VOVNPESOTUHPTM-UHFFFAOYSA-N 417.900 3.898 0 1 HHAF Cc1c(Br)ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587126879 HASVDSYEHHQAPU-UHFFFAOYSA-N 420.210 3.989 0 1 HHAF CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587383488 XLINPFWLDVUVRY-OAQYLSRUSA-N 415.392 3.913 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@H]1N=O 587487076 CWSVFDPCHYDPLI-XMSQKQJNSA-N 407.426 3.799 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCOCC3)nc1OCC)CC2=O 587492171 BFCMRHBKWHPXMG-KRWDZBQOSA-N 418.515 3.743 0 1 HHAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 587554421 XIWAWEWOIAQLFU-AVRDEDQJSA-N 407.809 3.879 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 587741651 HWKQOMAZOHWTFJ-VZSAFFHGSA-N 421.314 3.593 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 587771046 DWZOFVHHVQKUKM-XCLFUZPHSA-N 420.326 3.618 0 1 HHAF CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791045 FHEYXGXBHDBIFP-DGIBIBHMSA-N 423.282 3.941 0 1 HHAF O=Cc1c(Cl)[nH]c([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1Cl 962980460 UTUWKARHEFTUHH-PRHODGIISA-N 409.603 3.754 0 1 HHAF O=[N+]([O-])OCCCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 1772598657 SXQJXDGSDSHPFW-UHFFFAOYSA-N 406.402 3.536 0 1 HHAF COCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 1857644263 JVBRLMPILNHCFZ-UHFFFAOYSA-N 417.575 3.968 0 1 HHAF Cc1cc(=O)oc2cc(OCCSC(=S)N3CCN(C(C)C)CC3)ccc12 1857748112 AYCMSQHGVRSOEG-UHFFFAOYSA-N 406.573 3.524 0 1 HHAF COC(=O)CCCCCN1C(=O)N[C@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C 15952504 PYUGKUNOPBXDBC-OAQYLSRUSA-N 414.502 3.541 0 3 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@@H]3CCCC[C@H]32)cc1 263590557 VTLIPPAVXFMAOE-POAQFYNOSA-N 405.541 3.988 0 3 HHAF CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 13455977 GDSNRTJTRDXNIY-XHSACGBXSA-N 408.535 3.794 0 1 HHAF biogenic,in-vitro CCCCOP(=O)(OCCCC)OCN1C(=O)c2ccccc2S1(=O)=O 13602805 RQWKBHRLQOTLBJ-UHFFFAOYSA-N 405.409 3.547 0 1 HHAF COc1ccccc1C(=O)OC[C@@]1(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O1 13704132 FEYVCMAKCJAFOZ-HPZACDGNSA-N 404.503 3.775 0 1 HHAF CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C1=O 13832157 OHZMIRMBIFBORX-UHFFFAOYSA-N 405.475 3.793 0 1 HHAF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 13862654 PAESXPKWFLPKAY-LJYZBVLISA-N 402.494 3.573 0 1 HHAF CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2OCC)C1=O 15955188 NLIVGYDSGGYDFC-HYBUGGRVSA-N 417.509 3.662 0 1 HHAF biogenic O=C(O)CCCCc1ccc2c(c1)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)C2 27331517 OKBWKYHXAYKQCM-MRXNPFEDSA-N 421.946 3.831 0 1 HHAF COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1OC 45348616 JDJOBLZBWCAIQN-UHFFFAOYSA-N 402.451 3.562 0 1 HHAF C[C@@]12CC[C@@H](C1)[C@H](n1cnc3c(Cl)ncnc31)[C@H]2n1cnc2c(Cl)ncnc21 49799621 MJJACIBJWXFZIN-GOOXQJPWSA-N 415.288 3.875 0 1 HHAF COC(=O)C1=C(O)/C(=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)N=C1C 103052953 IORINNYKUSMKJX-UNOMPAQXSA-N 422.437 3.513 0 1 HHAF COCCOc1ccn2c(-c3ccc4cccc(OC[C@@H]5CCNC5)c4n3)cnc2c1 103240630 IQACVVFBPSXQID-QGZVFWFLSA-N 418.497 3.563 0 1 HHAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1)C(Cl)(Cl)Cl 103295073 QPPVQBUUZDXRBG-NSHDSACASA-N 409.561 3.930 0 1 HHAF NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)ncnc12 114344305 OUWPANSBFVVNQI-UHFFFAOYSA-N 415.428 3.732 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cnc3ccccc3n2)n1 144364759 ODFMDRLUQFXIOG-HXUWFJFHSA-N 415.453 3.812 0 1 HHAF O=C(Nc1ccc(C(=O)N2CC[C@]3(CCCCN3)C2)cc1)N1Cc2ccccc2C1 166347700 FPOPNYXWOCCLJY-XMMPIXPASA-N 404.514 3.593 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCCCF)nc3)C2)cc1 169709317 QOWOANVIAULSEY-KKSFZXQISA-N 401.482 3.675 0 1 HHAF O=C(OCc1ccccc1)OC[C@H]1C[C@@H](O)C[C@@H]1OC(=O)OCc1ccccc1 299856187 IONDFUFYFHCPRU-AQNXPRMDSA-N 400.427 3.833 0 1 HHAF CCCn1cnc2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc(Br)c21 587002500 ANSMPZJBQSLLTJ-UHFFFAOYSA-N 423.278 3.728 0 1 HHAF Cc1c(-c2nc3c(Br)nccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029171 IYSQRLQMFFZEDE-UHFFFAOYSA-N 402.277 3.870 0 1 HHAF Cc1c(-c2nc3c(Br)cncc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030025 VVPAOMKJJCJOIN-UHFFFAOYSA-N 402.277 3.870 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C 587239945 PGIBWTPKNGBBSE-FKWBGFQESA-N 407.902 3.513 0 1 HHAF CN1CCC(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 587342382 DSRZZGOGGZISHN-QHCPKHFHSA-N 424.516 3.819 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(NC(=O)OC(C)(C)C)cncc1OC)[C@@H](C2)C3=O 587431529 GUDRZXAEEWGLRH-RNODOKPDSA-N 412.442 3.935 0 1 HHAF CCn1ncc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587584261 ZEMVDRWWJKWDHE-BNLBFUSQSA-N 419.481 3.849 0 1 HHAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587718034 HNKHOUUTVLNKQL-RBHXEPJQSA-N 402.258 3.981 0 1 HHAF CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587755524 ASVYPYDGRAYTHB-PGICJIBASA-N 423.326 3.633 0 1 HHAF COc1cc(OC)cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587868058 UFWPHJGXSYMJEO-UHFFFAOYSA-N 407.348 3.678 0 1 HHAF C[C@]1(c2ccc(OC(F)F)cc2OC(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962906731 YYQDIVIVHUKSLN-ORAYPTAESA-N 417.330 3.891 0 1 HHAF OC(O)(C1=COc2ccccc2[C@]12c1ccc(F)cc1C[C@H]1CCCN12)C(F)(F)F 963108353 OUAHAWCZQIOUOZ-FOIQADDNSA-N 421.390 3.609 0 1 HHAF COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(-c3cc[nH]n3)cc2)ncn1 1857584489 ZCKDKPTYMNQCOH-IAGOWNOFSA-N 405.458 3.503 0 1 HHAF O=C(COCc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1 1857606402 GIGYREOANHIVJQ-UHFFFAOYSA-N 406.486 3.552 0 1 HHAF NC1=C(c2nn[nH]n2)[C@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 1857612475 OOADKEKSUOQXMT-MRXNPFEDSA-N 420.270 3.967 0 1 HHAF O=C(O)C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302638 JYZAMTAOORLKMR-JKSUJKDBSA-N 401.482 3.764 0 1 HHAF CC1=C[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356653919 LMWAOEJVLPOFCM-TUNNFDKTSA-N 418.603 3.832 0 1 HHAF CN(C)CCNC(=O)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61925661 RZLVJPCOHXAQIE-QFIPXVFZSA-N 403.482 3.522 0 3 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@@H]3CCCC[C@@H]32)cc1 95566622 VTLIPPAVXFMAOE-HQRMLTQVSA-N 405.541 3.988 0 3 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C(=O)C[C@@]2(C)[C@H](C(C)=O)[C@@H](N4CC4)C[C@H]32)C1 263591380 ZFVBYRDTMKLTPA-USVHVFPZSA-N 415.574 3.639 0 3 HHAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CSc1ccccc1 13805699 CHDOVUGJRCWTAC-KTIPNOMGSA-N 410.576 3.703 0 1 HHAF COC(=O)CCCCn1c2c(c3ccccc31)CCN(C(=O)c1ccc(O)cc1)C2 14946231 UOKCHPKAWHMZFR-UHFFFAOYSA-N 406.482 3.889 0 1 HHAF CN(C)CCN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 21289307 HTUBDSNBHLULPF-UHFFFAOYSA-N 401.312 3.529 0 1 HHAF CC(=O)Oc1c(CC[C@H]2CCCCN2C)c(=O)n(-c2ccccc2)c2ncccc12 26186053 CMWRHHZNEBTTBF-GOSISDBHSA-N 405.498 3.728 0 1 HHAF OC1=NCCN1CCN1CCN([C@H]2C[C@H](c3ccc(Cl)cc3)c3ccccc32)CC1 26382320 FBEYCJGEXYBVOE-PKTZIBPZSA-N 424.976 3.764 0 1 HHAF Cc1cccc2c1OC[C@H](CN1CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC1)O2 27883545 PLCBASFSZBCGKM-KRWDZBQOSA-N 413.905 3.768 0 1 HHAF CCOC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc(C)cc1 28115509 FSHDTWVSKKMMMY-UHFFFAOYSA-N 405.859 3.586 0 1 HHAF O=C(NCCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 29220928 AOLGIUMPLUIXBX-BENYOCTQSA-N 412.555 3.591 0 1 HHAF O=C1c2ccccc2CCN1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 40403306 LHDDOZPHQWBNGP-UHFFFAOYSA-N 417.475 3.916 0 1 HHAF COc1ccc(N2CCc3c(-n4ccc(N5CCCNC5=O)n4)cc(C)nc32)c(C)c1 40847085 JVQKYUMHRUBDET-UHFFFAOYSA-N 418.501 3.507 0 1 HHAF CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1C(F)(F)F 42889860 KWPBSKAFUYISRJ-UHFFFAOYSA-N 408.380 3.902 0 1 HHAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(C(=O)N2CCOCC2)c1 49051962 RZFKRYDGDAPOCP-UHFFFAOYSA-N 411.355 3.961 0 1 HHAF CC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(-c3ccccc3)oc2C)C1 71340666 NUPZHCQDIVOSOI-HMXCVIKNSA-N 411.546 3.793 0 1 HHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(Br)o3)ccc12 96905946 BXBFJAQXZLMKQF-QGZVFWFLSA-N 405.273 3.971 0 1 HHAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@@H](C4)C3)c1=O 114764716 OZNDXFHVAUDQDB-RSVXAYBZSA-N 419.525 3.841 0 1 HHAF Cc1ccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 142081083 WFMHRJIHZINNQU-GOEBONIOSA-N 408.462 3.989 0 1 HHAF Cc1nc(-c2cc(-c3cnc(NC(=O)c4ccccc4Cl)s3)n(C)n2)no1 142576306 VWHRXGKFGZESHL-UHFFFAOYSA-N 400.851 3.808 0 1 HHAF CC1(N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(C)(=O)=O)CCC1 148448454 MCZYVLLRCIGMIR-MRXNPFEDSA-N 422.497 3.638 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Oc3ccc(OC)cc3)cc2)C1=O 207745553 RBIXKTUNPPLTJH-UHFFFAOYSA-N 404.488 3.505 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)Cc3ccc(cc3)CC(=O)Nc3ccc(cc3)[C@@H]1C2 253639683 MTTQVAJJGOFFBH-GPJHCHHRSA-N 404.510 3.533 0 1 HHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1 586935067 GFINISSCZDHNJJ-JTQLQIEISA-N 423.336 3.773 0 1 HHAF Cc1nc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2cc1Br 587084579 CUOUEGVDROSNBD-UHFFFAOYSA-N 407.703 3.856 0 1 HHAF O=C(O)c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587171121 ZFYIMUGGVVQKSR-UHFFFAOYSA-N 417.443 3.930 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 587413207 QYEXMXJCZFJAJP-ZEQRLZLVSA-N 417.417 3.709 0 1 HHAF Cn1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587578604 ATUPSCBOCLCXNL-ZJSXRUAMSA-N 414.417 3.737 0 1 HHAF COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(F)cc1 587622320 JULLTRYWRNMRNC-UHFFFAOYSA-N 416.206 3.963 0 1 HHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1cccc(Br)c1 587648544 HRFPKFXUAGGTBE-UHFFFAOYSA-N 407.289 3.895 0 1 HHAF CC(C)(C)OC(=O)NCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659760 CKFHSNDHBZJADV-UHFFFAOYSA-N 411.433 3.758 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N)c(Br)c2)N1 587684239 YWLWGGIMKLPPDN-NXSYQRQQSA-N 415.104 3.952 0 1 HHAF COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734748 VKFCNCUSWIPSHI-NIVTXAMTSA-N 412.230 3.598 0 1 HHAF CC(C)(C)NCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653727828 NJKARJRHITYPBM-FQEVSTJZSA-N 403.482 3.859 0 1 HHAF CCOC(=O)[C@]1(c2ccc3c4c(cccc24)CC3)NCCc2c1c(C(C)C)nn2C 962918288 NXQWWJUFYNNTSE-RUZDIDTESA-N 403.526 3.748 0 1 HHAF COc1cccc2cc3c(nc12)[C@](C)(CC(=O)NCc1ccccc1Cl)NCC3 963044031 BOXRTZFPWJRVCR-QHCPKHFHSA-N 409.917 3.964 0 1 HHAF CCc1ccc2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1 1857559665 GEUGRQYYFPZRCQ-HXUWFJFHSA-N 421.545 3.893 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@H]1O 2356821538 GBZKBMKOFSFJKG-YZKQEOBLSA-N 406.611 3.645 0 1 HHAF CC1=C[C@H](CN2CCN(C)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356830935 JKDRXXAYGOKIEE-BHDDXSALSA-N 409.578 3.776 0 1 HHAF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](C(C)(C)Cl)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356847656 OYOOMOHVUZZPOK-UAJZKUBTSA-N 401.035 3.695 0 1 HHAF Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N(Cc4ccccc4F)C3)CC2)c1C 15066502 RGPICVCADGUCEL-NRFANRHFSA-N 423.532 3.530 0 3 HHAF CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1cccnc1)C[C@H]1CCCO1 36379163 SDELAWGAEJBZMO-IEBWSBKVSA-N 412.563 3.655 0 3 HHAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)C[C@@H]12 206390247 ZRXGKXODZYOTMC-OAHLLOKOSA-N 417.292 3.950 0 3 HHAF COc1cc2nc(NCc3cccnc3)n3nc(-c4ccccc4)nc3c2cc1OC 6803054 JQBRQRZVTRVMOH-UHFFFAOYSA-N 412.453 3.969 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 15270680 CWTKKMAJNZCARV-PJYBLOJUSA-N 402.443 3.675 0 1 HHAF biogenic,in-vitro C[C@@H](n1cc2cc(Cl)ccc2n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951830 FKHMFDQNAIKPNI-CWTRNNRKSA-N 403.820 3.708 0 1 HHAF COc1ccc(CCNc2nccn(-c3ccc(F)c(Cl)c3)c2=O)cc1OC 33039786 OAAXERYPTWTXSJ-UHFFFAOYSA-N 403.841 3.697 0 1 HHAF CO[C@H]1O[C@@H](COCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@@H]1O 34173137 UFRYXHSGDCMKGK-MUGJNUQGSA-N 413.297 3.828 0 1 HHAF CCc1ccc(S(=O)(=O)Nc2ccc(CCN(C)C3CCN(C)CC3)cc2)cc1 45167654 DXHQLIJSYVLYHH-UHFFFAOYSA-N 415.603 3.618 0 1 HHAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(N4CCCC4)c3)sc12 64560556 ZRVKOAAEEMJUNW-INIZCTEOSA-N 421.570 3.826 0 1 HHAF Cn1ncnc1NC(=O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)C2 73168941 VYXXHCGQEBCRGI-UHFFFAOYSA-N 409.412 3.905 0 1 HHAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCc3ccccn3)C2)co1 82069645 MBZKVMLEISTSEN-GOSISDBHSA-N 419.481 3.683 0 1 HHAF COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82084696 WBHTYTWDRJRYTA-OAHLLOKOSA-N 402.497 3.608 0 1 HHAF CC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144874580 OSUXGRHDJQXKPX-OAQYLSRUSA-N 415.415 3.853 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CCCC2)c2cc[nH]c2c1=O 146307222 MOLZQZCLRXBCMM-UHFFFAOYSA-N 400.500 3.506 0 1 HHAF O=C(c1ccccc1Br)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 166996406 BJKYSIAVJGFRKP-GASCZTMLSA-N 423.314 3.601 0 1 HHAF CCOC(=O)[C@@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 169691170 WNXAOOZWDQKMEO-CWPYAQBUSA-N 411.889 3.777 0 1 HHAF COc1cccc2oc(-c3cnc4ccc(OCCC[S@](C)(=N)=O)nn34)cc12 219600613 DLZQHAOUJWYOTJ-MUUNZHRXSA-N 400.460 3.597 0 1 HHAF NCCOc1ccc(/C(=C(/Cn2cnnc2)c2ccccc2)c2ccc(O)cc2)cc1 299867515 YDYQORQPBJHCOL-IZHYLOQSSA-N 412.493 3.981 0 1 HHAF COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1C 586950303 DDQVPDMEHNQAPH-UHFFFAOYSA-N 414.531 3.812 0 1 HHAF O=C(O)c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F 587117903 HLBRHXKCUVZJHP-UHFFFAOYSA-N 421.148 3.621 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cnc2[nH]1)C[C@@H]1CCCO1 587195984 LVNASOMKEWBIPR-LBPRGKRZSA-N 411.300 3.637 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587448602 KHJYSOSSHCLYGD-GBXCKJPGSA-N 420.486 3.790 0 1 HHAF O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 587651245 FPHUADIKLCGODZ-UHFFFAOYSA-N 403.751 3.910 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 587750853 VETJRVCQDFADOD-RRBXVBTKSA-N 421.310 3.558 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 587766162 FWSDEGUPJQOBLH-RNODOKPDSA-N 403.295 3.750 0 1 HHAF COc1ccccc1[C@H]1NC(=O)NC2=C1[C@]1(CCC2)NCCc2ccc(F)c(C)c21 962381539 YOTHVHXFFIENPP-ISKFKSNPSA-N 407.489 3.976 0 1 HHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc(-n3ccnn3)cc2)N1 963206783 YPVYLIKRANGASH-IAGOWNOFSA-N 422.794 3.628 0 1 HHAF O=C1[C@@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(OC(F)F)cc1 1772624671 PNHIUDSSYHTHOT-NRFANRHFSA-N 416.468 3.974 0 1 HHAF Cn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCC(F)(F)C3)cc2)cn1 1772644578 LUSRSUWSGVIMEM-QPJJXVBHSA-N 423.467 3.975 0 1 HHAF COc1cc2nc(NCc3ccccn3)n3nc(-c4ccccc4)nc3c2cc1OC 6803052 CIAUHRZPSSSKCK-UHFFFAOYSA-N 412.453 3.969 0 1 HHAF COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccc3[nH]2)cc1 13490303 SRYPGDMXSHZMAX-NRFANRHFSA-N 422.529 3.549 0 1 HHAF O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 13820227 RUHPWQMWLUCNGJ-WTNAPCKOSA-N 400.519 3.598 0 1 HHAF O=c1nc(SCc2ccc(F)cc2)n(Cc2ccco2)cc1Cc1cncnc1 26571005 YAVPFUPFNNCNCT-UHFFFAOYSA-N 408.458 3.697 0 1 HHAF Cc1cccc(Nc2ncnc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc23)c1 40896170 DKCJHJKLYAZBHE-UHFFFAOYSA-N 412.500 3.529 0 1 HHAF CC(C)(C)c1ccc(NC(=O)N2CC=C(c3ncc([C@H](O)CO)cc3F)CC2)cc1 43200363 OGIDAISTBSGWLV-HXUWFJFHSA-N 413.493 3.865 0 1 HHAF NCCC(=O)N1CCc2c([nH]c3ccc(OC(F)(F)F)cc23)[C@H]1c1cccc(O)c1 45351278 FHAFMTSUGDDCSE-HXUWFJFHSA-N 419.403 3.595 0 1 HHAF COCON1C(=O)/C(=C/c2ccccc2)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O 84705596 JPCQRWRPTHALFE-FLVGQNKLSA-N 408.498 3.849 0 1 HHAF COc1cccc(-c2cccc([C@]3(C4CCN(C(C)=O)CC4)N=C(C)C(N)=N3)c2)c1 95579779 YPIBLSYFISDICP-XMMPIXPASA-N 404.514 3.605 0 1 HHAF O=C(c1ccc(F)cc1)c1cc(F)ccc1/C=C/OCCN1CCC[C@H](C(=O)O)C1 96923965 VFZCBBPPTMMMLW-PEKVBPLLSA-N 415.436 3.980 0 1 HHAF COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 110903693 JGZGPLHLIOGETQ-IRXDYDNUSA-N 410.451 3.518 0 1 HHAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2cccc(Cl)c2)C1 116975815 RWXMPGCFTCWUAG-CYBMUJFWSA-N 413.909 3.712 0 1 HHAF CC(C)Cc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707013 LOBDPYOGCCLXTL-LJQANCHMSA-N 402.498 3.812 0 1 HHAF CCCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)cn1 169709286 QQMUQOLXECDKET-HNAYVOBHSA-N 401.482 3.864 0 1 HHAF C[C@H]1CCCC[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 207148820 XEGAKSMBTFYKAD-GOEBONIOSA-N 424.538 3.589 0 1 HHAF CC(C)[C@@H]1CC(=O)N[C@@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 209022931 WHWVTFZQJAFIJR-AOMKIAJQSA-N 413.522 3.642 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3cccnc3)cn2)n1 221128613 KENHIFCOTKVJQH-WMLDXEAASA-N 421.461 3.608 0 1 HHAF Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21 261087782 CWSCKWGKRCMORG-SHTZXODSSA-N 413.481 3.908 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586967463 YJSWLAWWUDZQIE-UHFFFAOYSA-N 401.835 3.740 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 587026181 VFXPMNQKHQHELT-UHFFFAOYSA-N 417.335 3.545 0 1 HHAF CCOC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144945 SFVQQXSPSYGWIB-CQSZACIVSA-N 406.255 3.884 0 1 HHAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(CO)cc2[nH]1 587167660 PPDRDYODRUCPRX-UHFFFAOYSA-N 403.460 3.724 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 587386454 JEERGMZDRWBYFL-UZLBHIALSA-N 411.502 3.690 0 1 HHAF COc1ccc(Br)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1C 587650740 CJWZAVZEKXKMHG-UHFFFAOYSA-N 407.651 3.818 0 1 HHAF Cc1cc(C)n(-c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nn2)n1 587661997 VUNFTANKXKSAAE-UHFFFAOYSA-N 412.428 3.784 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2C)N1 587681956 SOVRAOYNUCZYAO-FUXBKTLASA-N 403.093 3.708 0 1 HHAF COc1cccc(NCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587868295 YUVKVCDMTDSBBD-UHFFFAOYSA-N 406.364 3.733 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(CC(=O)C(F)(F)Br)N(C)[C@H](C)C2 962622251 BJBFTTNJYMIOKF-QLJPJBMISA-N 406.267 3.742 0 1 HHAF Cc1c2c(nn1C)[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)N[C@@H](C(=O)O)C2 962705832 FLCAHCIABAFSAZ-KDOFPFPSSA-N 406.269 3.984 0 1 HHAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC[C@@H]2CCCO2)CC1 5043188 BJACUCGKWLTKHA-IBGZPJMESA-N 417.937 3.811 0 3 HHAF CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccncc2-c2nnn[nH]2)cc1 3780085 CDOWRMOHWAEIPQ-UHFFFAOYSA-N 410.485 3.983 0 1 HHAF CCOc1ccc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCCN24)cc1CO 11843160 YZFCUVBLUGGTEZ-FXSPECFOSA-N 420.553 3.558 0 1 HHAF COc1cc(=O)oc2cc(O)c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(C)c12 13437030 PRMZXICFBUXBCX-UHFFFAOYSA-N 410.378 3.612 0 1 HHAF biogenic CCOC(=O)[C@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C 13728353 QDFJWQQNNXWJLH-PGRDOPGGSA-N 401.528 3.527 0 1 HHAF O=C(O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3s2)c(=O)c2ccccc12 13860776 XSHTXZXPLDNDKC-UHFFFAOYSA-N 420.277 3.988 0 1 HHAF O=C(O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCc3ccc(F)cc32)C1 13863092 VNOLJTJHKKBPBZ-HXUWFJFHSA-N 412.505 3.876 0 1 HHAF CC(C)COc1ccc(CO[C@@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 16040383 HEBXIQDRIXAYPX-SRHPJPHMSA-N 422.518 3.635 0 1 HHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)N1CCSCC1)C2 25206557 VCLHTUNFLPHNJY-IEBWSBKVSA-N 404.620 3.560 0 1 HHAF biogenic Cn1c(COc2cccc(CC(=O)NOCc3ccccc3)c2)nc2ccccc21 26497940 LTRGHBPXUGYFKZ-UHFFFAOYSA-N 401.466 3.943 0 1 HHAF COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC 40410706 MRZQEJWURHRXDS-UHFFFAOYSA-N 410.430 3.997 0 1 HHAF COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 82071738 QPLKIRWMCTYWTN-LJQANCHMSA-N 410.495 3.855 0 1 HHAF CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1coc(-c2cccs2)n1 82083414 PLSLNFVHGNGQFG-INIZCTEOSA-N 420.579 3.540 0 1 HHAF Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2nc(C)c(C)s2)c1 82173355 QDUIKVNXSFEKIE-QGZVFWFLSA-N 407.543 3.894 0 1 HHAF CN(C)CCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 89469984 IUTUNANTVVQXCT-UHFFFAOYSA-N 410.909 3.909 0 1 HHAF C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CCN1 95598494 QOHKWTULTDAKSU-SFHVURJKSA-N 418.516 3.958 0 1 HHAF CC(C)(CC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O 146766313 SHDGQLVOAGJTGP-UHFFFAOYSA-N 405.410 3.587 0 1 HHAF O=C(Nc1ccc(C2=CCN(C(=O)[C@H]3CCOC3)CC2)cc1)N1Cc2ccccc2C1 166068805 VKABRFSTVYJHCG-QFIPXVFZSA-N 417.509 3.887 0 1 HHAF CCCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169358739 BARMHYIDIPSZOD-UPGMLOOJSA-N 423.553 3.786 0 1 HHAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1 169697012 TYZKGCIDJUPIPC-HDICACEKSA-N 400.592 3.893 0 1 HHAF Cc1nc(C[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)sc1C 199431595 MQRVZBADYAFMHA-SFHVURJKSA-N 423.586 3.999 0 1 HHAF Cc1ccc(CNC(=O)[C@@H](CCCN)Nc2nc(Nc3ccccc3)ncc2C)cc1 206781190 JYZKCBKDGSPMMV-OAQYLSRUSA-N 418.545 3.673 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c[nH]c(=N)[nH]c-2n1 587086367 HJYVVLILOZXGKQ-VOTSOKGWSA-N 400.273 3.747 0 1 HHAF COc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350938 SQNYZDQTQZOBQW-WMZHIEFXSA-N 405.381 3.746 0 1 HHAF CCc1cc(Br)cc2c1NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587370494 FIWMQSOQJZGISZ-IBGZPJMESA-N 401.260 3.715 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587378415 UYQHXKUCEGOFSZ-IRLDBZIGSA-N 410.422 3.573 0 1 HHAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nncn1C 587408928 JQVHAYNEIGGPMY-QFIPXVFZSA-N 424.526 3.887 0 1 HHAF COc1cc2c3c(c1)OC1(CCC(CN4C(=O)c5ccccc5C4=O)CC1)[C@@H](C2)C3=O 587435571 GLMBEIFSGXECGI-WICNGQSQSA-N 417.461 3.668 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O 587455758 QHNNVAWIKWLGPO-VVMVZBAXSA-N 414.413 3.747 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598523 BKDRVKYUSSJCSE-RDPSFJRHSA-N 420.417 3.821 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2N)N1 587682402 LTHNJFXDZMDDLW-JKYUHCHBSA-N 415.104 3.952 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2nc(Cl)cnc2Cl)N1 962707881 YTMMGDDLBQRCFW-ONGXEEELSA-N 410.154 3.630 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(Cc1ccc(C(F)(F)F)cc1)C(=O)O 963602672 ANXOLMMBYJDDLI-ODXCJYRJSA-N 409.404 3.779 0 1 HHAF COc1cc2c(cc1OC)[C@H](C1(F)CC1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963779711 WRWXGUJDPASBEK-JOCHJYFZSA-N 422.456 3.996 0 1 HHAF O=c1nc(N2CCN(C(=S)Nc3ccccc3)CC2)sc2ccc(Cl)cc12 1772616389 BRUPPDRFIXFHCP-UHFFFAOYSA-N 416.959 3.829 0 1 HHAF COc1cc2c(cc1OC)-c1c(c(=NCCN3CCCC3)c3ccccc3n1C)CC2 1772633309 RMFCWYDCAYGEBB-UHFFFAOYSA-N 417.553 3.958 0 1 HHAF O=C(O)C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl 1857629856 BAPCMLMBUVRKTL-AWEZNQCLSA-N 410.225 3.766 0 1 HHAF O=C1CC[C@H]2CN(Cc3c(-c4ccc(Cl)cc4)nc4cnc(C5CC5)cn34)CCN12 1857653150 BZYOEBWCELTDFC-SFHVURJKSA-N 421.932 3.734 0 1 HHAF F[C@H]1CN(Cc2nccs2)C[C@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 2356682626 YMHXFEHMGFWWSM-SMDDNHRTSA-N 400.401 3.777 0 1 HHAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)CCC(=O)C[C@@H](CO)C1 2356801651 QTVNNEMBCMYHSR-JWGAZVTHSA-N 415.574 3.613 0 1 HHAF COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)cc1C 13636663 BCZHNLGHJAKJTF-GOSISDBHSA-N 420.513 3.707 0 3 HHAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@@H]2c1ccc(C(=O)OC)cc1 6308828 XZNYWLQSWTUWOT-QIQQCEGHSA-N 415.471 3.735 0 1 HHAF CCN1c2ncc(CSc3ncccn3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385150 RBFYUIXVWQHOIR-UHFFFAOYSA-N 412.906 3.960 0 1 HHAF O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 8604323 PRZVAMSDMGUNPD-UHFFFAOYSA-N 422.847 3.814 0 1 HHAF O=C(c1cc(COc2cccc3cnccc23)on1)N1CCC[C@H](CN2CCCC2)C1 11813238 UURYSRNLJHMWDN-GOSISDBHSA-N 420.513 3.750 0 1 HHAF C[C@@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4c(F)cccc34)CC2)NC1=O 13674865 LWSDEDAXDVTMTG-INIZCTEOSA-N 422.504 3.781 0 1 HHAF COc1cc2nccc(CN3CCc4c(cccc4C(=O)NC4CC4)C3)c2cc1OC 40955552 KTENGWHOUXYSLV-UHFFFAOYSA-N 417.509 3.703 0 1 HHAF CC(C)(Oc1ccc(CN(CC(=O)Nc2ccccn2)Cc2ccco2)cc1)C(=O)O 49112177 AIQGGWZPGKNVFO-UHFFFAOYSA-N 423.469 3.558 0 1 HHAF Cc1cncc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)c1 84614501 IAIBDBSMCHCGFG-UHFFFAOYSA-N 416.529 3.882 0 1 HHAF CC(C)(C)c1cc2nc(-c3ccco3)cc(N3CCN(C(=O)c4ccoc4)CC3)n2n1 95567937 BQRDWEOPYAAENG-UHFFFAOYSA-N 419.485 3.842 0 1 HHAF O=S(=O)(c1cccc(C(F)(F)F)c1)N1[C@@H]2Cc3n[nH]cc3[C@H]1c1ccccc12 96906459 QYROKRAXVXLCGS-QZTJIDSGSA-N 405.401 3.820 0 1 HHAF O=C1C[C@@H](N2CCN(C3c4ccccc4-c4ccccc43)CC2)C(=O)N1c1ccccc1 103228372 SCGSBRFKLVEQON-XMMPIXPASA-N 423.516 3.706 0 1 HHAF Cc1nncc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc12 144169422 BXNVAJNJOUFTOK-UHFFFAOYSA-N 414.460 3.875 0 1 HHAF CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(C(=O)Nc2cccnc2)cn1 144737009 FSOAZMGZMXDGQX-UHFFFAOYSA-N 406.446 3.623 0 1 HHAF COC[C@@H](NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(F)c(Cl)c1 169326160 PYCSGIDRFBKWKT-GOSISDBHSA-N 421.904 3.545 0 1 HHAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@@H]3[C@@H]1C5 194848738 KNIGTFRSJKNFFO-MEIHSDPBSA-N 403.522 3.689 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccnc2[nH]1 586936444 MYIBNUOIKRBCKT-OAHLLOKOSA-N 404.561 3.656 0 1 HHAF O=C(Nc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1)c1ccc(Br)cc1 586983863 KMASABXKKPQURG-UHFFFAOYSA-N 410.231 3.740 0 1 HHAF Cc1ccc2c3c(c(CCNC(=O)C4CCOCC4)cnc13)-c1ccccc1C2=O 586997639 UOKFLZLFQXIBLG-UHFFFAOYSA-N 400.478 3.840 0 1 HHAF CN1CCN(c2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)CC1 587007061 LJEMNEMYXJGTCH-UHFFFAOYSA-N 406.715 3.793 0 1 HHAF Oc1nncc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 587153695 ZBVXWYWVYWIEMB-UHFFFAOYSA-N 419.445 3.738 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(Br)c(Cl)c41)[C@@H](C2)C3=O 587412553 IUFZCBDUOWDKDD-YYSFKGJASA-N 420.646 3.706 0 1 HHAF C=CN1CCCC[C@H]([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587441495 GCXVXEAJPZHACA-GLDPYIMESA-N 404.466 3.505 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(F)cc2)n1 587573780 XOLJYQDXSNTCLW-SIKLNZKXSA-N 403.369 3.815 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587595091 MOKMLUQJWLAACL-XXBNENTESA-N 403.390 3.600 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccccc3c2=O)N1 587747108 PDCLCGCLDJXQTB-HUTHGQBESA-N 403.251 3.900 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(-c2ccc(C)cc2)ccc1=O 587872397 LBLZCELXOXSQIU-UHFFFAOYSA-N 418.428 3.631 0 1 HHAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1SC(F)(F)F 653664352 FIMCCUBFSRMACT-RYUDHWBXSA-N 409.437 3.588 0 1 HHAF CCN(CCCCNC(=O)/C=C/c1ccc(O)c(OC)c1)Cc1ccccc1OC 653715446 HJUGHVQLTTXWNW-WYMLVPIESA-N 412.530 3.841 0 1 HHAF COc1ccc2c(c1)[C@@]1(C(C(=O)O)=CN(C)c3ccc(OC)cc31)N(C(C)C)CC2 962086809 DANIQJCTXPURJD-XMMPIXPASA-N 408.498 3.632 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962631763 KXKRYYQLXPGBJR-IBVKSMDESA-N 411.505 3.638 0 1 HHAF CC[C@]1(c2ccc(I)cc2)c2ccsc2CCN1C(N)=O 962719471 WVCUZEUTJSCGNF-INIZCTEOSA-N 412.296 3.943 0 1 HHAF Nc1c([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)cnn1-c1ccc(F)cc1 963339738 BFFVIBSBCITRIQ-DEOSSOPVSA-N 400.457 3.737 0 1 HHAF Cc1c(O)ccc2c1[C@](CCCCCC(=O)O)(c1cccc(F)c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c1cc2cccc(N3CCNCC3)c2[nH]1)c1cccc(Cl)c1Cl 3942954 XYZWTALSHUIGNA-UHFFFAOYSA-N 410.326 3.717 0 1 HHAF CC1=C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C2(CCC(C)CC2)OC1=O 4924838 CXYJREUDQXXONR-UHFFFAOYSA-N 402.922 3.811 0 1 HHAF O=C(NCc1cccnc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 12566043 UUXOCTNHZXOEGT-LVFSCSRESA-N 415.415 3.794 0 1 HHAF O=C1C[C@@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 13382664 BRPIOKDBXKCDNY-FUHWJXTLSA-N 418.401 3.951 0 1 HHAF biogenic COc1c2c(c(OC)c(O)c1-c1c[nH]c3ccccc13)[C@]1(O)c3ccccc3N[C@@H]1O2 13462676 BNNQNJBXFAFMOE-DNQXCXABSA-N 416.433 3.938 0 1 HHAF biogenic CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)c2cc(F)cc(F)c2)OCO3)cc1 13530455 NQDGAQUHEDCUGS-UHFFFAOYSA-N 416.401 3.995 0 1 HHAF O=c1cc(N2CCOCC2)oc2cc(OCc3cccc(Br)c3)ccc12 13677016 FHFDPKKURADGTO-UHFFFAOYSA-N 416.271 3.971 0 1 HHAF CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1 13835807 MXMXMYWNGBMDEJ-HFMPRLQTSA-N 402.554 3.949 0 1 HHAF O=C(O)CN(Cc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 29405294 SNQXOMFMLUUZRK-UHFFFAOYSA-N 408.401 3.760 0 1 HHAF O=C1COc2ccc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N1 35860732 WHSFWOMCIZMCFS-UHFFFAOYSA-N 419.403 3.891 0 1 HHAF O=C(Nc1cccc2nsnc12)N1CCN(c2nc(-c3ccccc3)ns2)CC1 40421769 FLMDARMNUYRFMY-UHFFFAOYSA-N 423.527 3.564 0 1 HHAF COc1ccccc1-c1nc(C)c2cnc(Nc3cc(OC)c(OC)c(OC)c3)nn12 45497553 ZHKBCNKXWIHWMO-UHFFFAOYSA-N 421.457 3.878 0 1 HHAF CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ncc21 66100290 OVKBODBQYXSSRL-GOSISDBHSA-N 418.852 3.667 0 1 HHAF CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)C[C@@H]3CC[C@H](CO)[C@](N)(C2)[C@@H]31 85543198 RVTXERZIRMACGH-AUVNHWKWSA-N 413.606 3.686 0 1 HHAF biogenic,in-vitro CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 96172960 YIVYCPDWBANPHF-PBHICJAKSA-N 417.456 3.861 0 1 HHAF CS(=O)(=O)[C@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 144372856 BLULZTBNCMRZRI-IEBWSBKVSA-N 418.527 3.574 0 1 HHAF O=C(NCCc1ccc(O)cc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167809681 XIDWMGWTMSZTLA-UHFFFAOYSA-N 401.466 3.912 0 1 HHAF Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N3CCC3)ncnn12 169697319 MUCHOBDXMDXUTD-UHFFFAOYSA-N 413.407 3.729 0 1 HHAF O=C1C[C@@H](c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)NC(=O)N1 299861063 HQKGDOBTWFOSJB-AWEZNQCLSA-N 418.331 3.818 0 1 HHAF N=C(N)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586959291 JKKQSYNZPKXAEN-GKCIPKSASA-N 423.542 3.541 0 1 HHAF Cc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Cl 587121226 YLHRSKMZHABYBH-UHFFFAOYSA-N 409.799 3.949 0 1 HHAF O=C(/C=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587167827 XQNYLBJYWWKLOL-BQYQJAHWSA-N 413.352 3.647 0 1 HHAF COc1ccc(I)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587385290 CEYRWPAAXIYYQG-INIZCTEOSA-N 409.223 3.897 0 1 HHAF CCc1cc(Br)cc2c1NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417141 JANRSERXKOANCF-JLTOFOAXSA-N 414.255 3.615 0 1 HHAF C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517533 PHIOAFNHLJSCJN-LMKMVOKYSA-N 403.478 3.964 0 1 HHAF CCOC(=O)CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585157 CEHRUZDGBACOBB-QPPBQGQZSA-N 419.433 3.988 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2C1 587594113 LBJDDPZXVDGTOM-WYJBUVNMSA-N 423.465 3.835 0 1 HHAF COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587715541 CUBGETCNNPPYAI-VVVCHXIZSA-N 406.242 3.926 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)s2)N1 587849286 SBCOSDVKYPIFCG-ADLMAVQZSA-N 410.356 3.683 0 1 HHAF CCCn1c(O)nc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1=O 587859860 NNDMJTIXWQJKOP-UHFFFAOYSA-N 409.273 3.917 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NC(C)=O)cc1 587867824 OEPSUGHTTZGCTR-UHFFFAOYSA-N 404.348 3.619 0 1 HHAF CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(-c3cccnc3F)cnc12 653762895 CECNWRVESXRVHW-UHFFFAOYSA-N 411.828 3.811 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(C(C(=O)O)=CN(C)c3c(C)cc(C)cc31)N(C)[C@@H](C)C2 962635602 MABQBSBNUVMNFY-IVCQMTBJSA-N 422.525 3.859 0 1 HHAF CN(C)Cc1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)cc1 962638291 SOAIYNOQOZSVRD-UYAOXDASSA-N 408.420 3.509 0 1 HHAF COc1ccccc1[C@@]1(CCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962767743 QOOXGADFVGJOTF-UTKZUKDTSA-N 421.415 3.839 0 1 HHAF CCC(CC)[C@@]1(c2c[nH]c(C(=O)NCc3cccnc3)c2)NCCc2ccc(O)cc21 963329076 KORVRLREQVTVPF-VWLOTQADSA-N 418.541 3.871 0 1 HHAF O=c1c2ccccc2sn1NCCCCCCNn1sc2ccccc2c1=O 1857549300 IOEREALBZOBQRI-UHFFFAOYSA-N 414.556 3.787 0 1 HHAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccc4ccccc34)C(=O)C[C@H]12 1857640834 UOGOQRLFCIOBPV-FQEVSTJZSA-N 414.461 3.844 0 1 HHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](OC(C)=O)[C@@H]1CC=CCCCC(=O)OC 2356313374 WWTWMOCEEXXBQA-VNXMGFANSA-N 410.551 3.702 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)OC)[C@H]21 2356765247 GHMNDPOMCUTYGM-AGMNAAHCSA-N 424.578 3.638 0 1 HHAF Cc1nc(-c2ccc(F)cc2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccccn2)n1 2356846590 OOQLWENXEADAET-WWPVKYPJSA-N 417.532 3.954 0 1 HHAF S=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)Nc1ccccc1 2356868518 XCQJPZWGCKRXGX-KIFXHHALSA-N 420.626 3.742 0 1 HHAF Cc1cc(CN(C)C(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)on1 12438156 RCOSTOMDMOCYKC-UHFFFAOYSA-N 408.380 3.567 0 3 HHAF CC(C)n1c(=O)c2ccccc2n1Cc1cn(CCc2c[nH]c3ccccc23)nn1 95604871 XMGYPOBVBDPVOG-UHFFFAOYSA-N 400.486 3.748 0 3 HHAF COc1ccc(CN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 6484292 CIKBVIMLBCWPCG-UHFFFAOYSA-N 408.479 3.603 0 1 HHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(C)c2)cc1 13526703 QHVJDPRHTMLJOE-UHFFFAOYSA-N 411.405 3.523 0 1 HHAF CN1C(=O)[C@@H](NC(=O)Nc2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21 13732811 AMWVZOVNBJVEHM-OAQYLSRUSA-N 402.429 3.787 0 1 HHAF CCC1(CC)C(=O)N(COC(=O)Nc2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 26011274 GYOKHBUIVVKRTC-LJQANCHMSA-N 416.499 3.641 0 1 HHAF C[C@](CC(=O)O)(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 28570595 FFRGJAHDODNWQF-XMMPIXPASA-N 420.513 3.973 0 1 HHAF O=S(=O)(c1ccc(Cl)cn1)N1c2ccc(F)cc2-c2n[nH]cc2[C@@H]1C1CC1 45315828 VQXVSGJBJIFAFR-SFHVURJKSA-N 404.854 3.924 0 1 HHAF CC(C)c1nc2c(NCCc3ccccc3F)ncnc2n1CCCN1CCCC1=O 82180967 PEABYASITMQZSB-UHFFFAOYSA-N 424.524 3.756 0 1 HHAF COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175314 OOGGORAJSDBXIE-KUHUBIRLSA-N 421.522 3.850 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OC/C=C/c1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100649813 UASJKQINROBGIC-KRHYQXEZSA-N 405.494 3.951 0 1 HHAF Cc1ccc(NCC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101028665 SWTSVJJELSHLQP-SFTDATJTSA-N 403.482 3.810 0 1 HHAF CCCCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@H]1CCCNC1 168426876 GYZHHOFFRYNRHF-KRWDZBQOSA-N 413.566 3.974 0 1 HHAF C[C@@H](NC(=O)Nc1ncc2c(OCc3ccncc3)n[nH]c2c1F)c1ccccc1 209390352 HVZRXBPAOAHQIU-CYBMUJFWSA-N 406.421 3.954 0 1 HHAF O=S(=O)(NC1CCCC1)c1ccnc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c12 230472716 JBHHWVFQIGPHPU-UHFFFAOYSA-N 410.421 3.865 0 1 HHAF in-vitro Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@H]2CN3c2ccc(F)cc2)nc1 253655996 OJUBJVRKXUPGAK-MOPGFXCFSA-N 403.461 3.523 0 1 HHAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)CC2)nc2ccccc12 253685163 IESRGXWBZDJPLC-HDICACEKSA-N 407.493 3.988 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nc(C)cc2[nH]1 586935056 GBKOZPAFVQMNET-MRXNPFEDSA-N 418.588 3.964 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Br)nc3[nH]2)cc1 586969954 CEPMCGXWIDBUSR-UHFFFAOYSA-N 405.321 3.943 0 1 HHAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 587024313 USDISBKLBXADEV-UHFFFAOYSA-N 415.397 4.251 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O 587439921 XQWMNUIDEMDSBG-BIUIGEDTSA-N 417.461 3.810 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C 587488980 AEIBXLPXMSNFCY-DYXDTQHNSA-N 408.516 3.763 0 1 HHAF COC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587788946 AJRJNBFIYVYABI-WYRIXSBYSA-N 408.267 3.764 0 1 HHAF CCOC(=O)[C@@]1(c2cc(OC)cc(OC)c2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962947499 NRIFUOLRQPEUBH-FYSMJZIKSA-N 408.498 3.916 0 1 HHAF CCCN1[C@H](c2c[nH]cc(I)c2=N)c2ccccc2C[C@H]1C 963230735 ADFMDTJHIVVEBH-XIKOKIGWSA-N 407.299 3.845 0 1 HHAF CNC(=O)c1cc(OCCCCN2CCN(c3cccc4sccc34)CC2)ccn1 1857640645 AOSUTZCGNCJEJR-UHFFFAOYSA-N 424.570 3.637 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 72135757 CLJGOZDTAJBVNC-GOSISDBHSA-N 409.866 3.714 0 3 HHAF COC(=O)c1c(O)cccc1OC[C@@H]1C[C@H]1c1cccc(-c2cc(C(=O)O)no2)c1 14954253 XSCGTWVGLHSJGP-GJZGRUSLSA-N 409.394 3.715 0 1 HHAF COc1cc([C@@H]2c3c(ccc4ccccc34)C(=O)[C@H]3COC(=O)[C@H]32)cc(OC)c1OC 28377633 LRDGFKOCECJDGD-UCNVEGJOSA-N 418.445 3.983 0 1 HHAF COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 28817401 VVTIALJSEAYKBI-IRLDBZIGSA-N 422.481 3.542 0 1 HHAF COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@H]3CC=C(CO)[C@H](CO)[C@@]23C)cc1 28824969 ZICOXVOWIQIQPH-VUVFKORQSA-N 414.542 3.994 0 1 HHAF CCN(CC)C(=O)c1c(N(CC(C)C)C(C)=O)c2cccnc2n2c(C(C)C)nnc12 40431081 ZTIDFKZONLISBW-UHFFFAOYSA-N 424.549 3.892 0 1 HHAF COc1cc(C(=O)c2ccc(-c3nccs3)cc2-n2cncn2)cc(OC)c1OC 64564357 GUENXGYHUWIXON-UHFFFAOYSA-N 422.466 3.648 0 1 HHAF CCOCC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)O 72171941 BBXWUOVSFVGMBP-NRFANRHFSA-N 406.482 3.948 0 1 HHAF CCCCOc1c(N2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)c(=O)c1=O 96932287 PVQKPNKAZGDBDA-UHFFFAOYSA-N 413.905 3.744 0 1 HHAF C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@]4(O)[C@@H]3N2C1 136283863 JUBZTVTUAIFINI-YYROTBABSA-N 415.618 3.639 0 1 HHAF NC(=O)[C@H]1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146449244 UNTVEFISGPAOOS-LJQANCHMSA-N 421.570 3.524 0 1 HHAF Cc1cc(=O)oc2cc(OCCCCCCn3cc(CN4CCCC4)nn3)ccc12 169309588 QCMTWWWJSDEJFB-UHFFFAOYSA-N 410.518 3.928 0 1 HHAF Clc1nc(N2CCC[C@@H](Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1 199424304 SZQNYJJRFVIGJC-KRWDZBQOSA-N 411.937 3.838 0 1 HHAF CC(=O)[C@@H]1C[C@]23C(=O)[C@](C)(C[C@@H]2C1(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C)C)C3=O 207046895 YWCYHQDJGKSIEV-AZHWEWBCSA-N 414.542 3.923 0 1 HHAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(F)F)c2)nc1 209432562 KPWFDKPYTIGDHK-ZBFHGGJFSA-N 414.412 3.595 0 1 HHAF COC[C@@H](c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 216304601 AZYYSNBRKYPRHK-SFHVURJKSA-N 411.955 3.511 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(C#N)c2ccc(Cl)cc2F)CC1 222813649 UHEABFFWWVYGMU-UHFFFAOYSA-N 408.886 3.581 0 1 HHAF C[C@H]1Cc2c(nnn2-c2cc(F)ccn2)CN1C(=O)c1cccc(Cl)c1Cl 225995133 HTGDPGZNWXWJGU-JTQLQIEISA-N 406.248 3.695 0 1 HHAF C[C@H]1CCC/C=C\C=C\[C@H](O)C[C@@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1 238748782 XXDIJWSZFWZBRM-RKNNZEGQSA-N 402.531 3.692 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 587032480 TXTKFSNYLONZET-QOUOVQQFSA-N 412.544 3.974 0 1 HHAF FC(F)(F)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)c(Br)cn1 587115866 CNGZSGHAPWUANL-UHFFFAOYSA-N 408.228 3.774 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 587125358 DPKWWEIVNGXZTG-QUBYGPBYSA-N 401.190 3.891 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(=O)O)ccc2[nH]1 587180629 IQIFZBBMLQAMEY-MRVPVSSYSA-N 410.215 3.700 0 1 HHAF Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587554130 HHXLBARXWGNTNF-WBMJQRKESA-N 406.316 3.553 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(C1CCOCC1)C1CCOCC1 587608118 JVHASQSQLHQRQR-NRFANRHFSA-N 410.466 3.946 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1nc2ccccc2[nH]1 587869457 IPAGVVOUDLVPIQ-UHFFFAOYSA-N 401.348 3.732 0 1 HHAF COc1ccc(F)c([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1F 962703552 LYRXEQUCNMQMHY-WBMJQRKESA-N 405.294 3.820 0 1 HHAF O=c1n(CCF)c2ccccc2n1[C@H]1CCN(C[C@H]2CCCCC23CC3)C[C@@H]1CO 1857554964 BVLXTLAFLGZNDJ-AQNXPRMDSA-N 415.553 3.598 0 1 HHAF Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O 1857573659 ZPOPMBOZYWLELY-UHFFFAOYSA-N 407.397 3.735 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc([C@H](O)CCO)cc21 1857612392 AOIWYHXSXGWTED-HSZRJFAPSA-N 402.494 3.756 0 1 HHAF C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356301626 BZNMOPGQSPECLY-JTQLQIEISA-N 424.837 3.872 0 1 HHAF CC(=O)OCC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](C)[C@@]2(C)CCC(=CCO)CO 2356331715 NYTNVERZLHWZGZ-IGCYBFCNSA-N 422.562 3.561 0 1 HHAF CCCC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]4O[C@@H]2C=C(C)[C@@H](O)CC[C@@]4(C)OC[C@@H](C)[C@H]3C[C@H]1C 2356789839 DTZQQIJZAUNNON-HOTOALKUSA-N 406.563 3.880 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C(=O)N(C)C1CCCCC1)[C@@H]1CCCCN1C2=O 2456114 GAGVQHJYTIYDQP-GHTZIAJQSA-N 400.519 3.587 0 3 HHAF CN(C(=O)c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CCC1 61958640 ZMJZLUKCGVYEBN-UHFFFAOYSA-N 415.534 3.897 0 3 HHAF CCCCN1CC(=O)N2[C@@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6203717 KSHLUICKJJRHAZ-YKSBVNFPSA-N 417.509 3.662 0 1 HHAF biogenic CCN(CC)CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]1CC(=O)O 12480690 PHNFLJPDOQPFBJ-IRXDYDNUSA-N 414.468 3.990 0 1 HHAF biogenic CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 26771903 HTBWBIHOCOVAKE-OVWNDWIMSA-N 413.470 3.931 0 1 HHAF biogenic O=C1NCCN1c1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 72111045 DLBRAAPHNZTSLE-UHFFFAOYSA-N 421.689 3.944 0 1 HHAF COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3C)ncnc21 82180127 IHULPMFINKSDOM-UHFFFAOYSA-N 419.485 3.774 0 1 HHAF O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 95893772 BJFBOLLGEYDWCY-VJBWXMMDSA-N 422.500 3.722 0 1 HHAF CCCNC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286041 VFVIUYYQHAEKJX-QGZVFWFLSA-N 407.513 3.866 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)NCc2cnco2)c2n1CCCC2)c1ccccc1 143849833 ZBMSSRZEGBBCBZ-LJQANCHMSA-N 406.486 3.624 0 1 HHAF CO[C@@H]1OC(=O)C[C@]12CC[C@@]1(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C 198536430 SFOHMBBFSBTGGN-BJAMVBBPSA-N 408.535 3.998 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Oc3ccc(F)c(F)c3)cc2)C1=O 207743164 XOHRSIWQVILXTL-UHFFFAOYSA-N 410.442 3.775 0 1 HHAF NC1=N[C@@](c2cc(NC(=O)c3csc(Cl)c3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226054935 FXXXMDINNVTPRI-GSDQYQHOSA-N 415.824 3.987 0 1 HHAF COc1ccc2c(c1C)C=C[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](CO)[C@H]1O)[C@H]3C 238767858 ZQFUYFFDPNJAJG-MGPHVKMZSA-N 414.542 3.783 0 1 HHAF CC(C)CNC(=O)[C@]1(C)C[C@](C)(C(=O)NCC(C)C)C[C@](C)(C(=O)NCC(C)C)C1 253638644 RTBOFCHXSRLNHL-BKFWDETESA-N 423.642 3.506 0 1 HHAF O=S(=O)(CCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc2c(c1)CCC2 586920023 DEUQOWVDLBMMEV-UHFFFAOYSA-N 423.307 3.970 0 1 HHAF O=S(=O)(NCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)s1 586942741 PWBFJKSLDITGBQ-UHFFFAOYSA-N 424.704 3.658 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 586962272 WFIGMHRETLDWNO-QEJZJMRPSA-N 417.922 3.652 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587043074 PCYJATHFOPCELI-ROUUACIJSA-N 411.487 3.573 0 1 HHAF COc1nccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587171111 YTHMICBXOJSSSG-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O 587348069 CEYVIXBPUDQSSP-OEDAOFSRSA-N 424.424 3.719 0 1 HHAF CCOC(=O)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594750 IMXTUQQSRQNZIQ-UGKGYDQZSA-N 406.390 3.977 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1 587599029 YKTSHMCOPPKTHL-ZJSXRUAMSA-N 403.434 3.932 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCNCC2)N1 587764369 DWOPOPZXDPRSBG-ZUOKHONESA-N 404.327 3.621 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccco3)CC2)N1 587765430 CCUMCSVCHYGYHQ-LBPRGKRZSA-N 407.283 3.847 0 1 HHAF COC(=O)c1ccc(C=O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803662 BFCFVEQQZCHDPA-XTZNXHDOSA-N 406.251 3.811 0 1 HHAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23NCCc2nc4ccccn4c23)cc1 962987506 MXXQBAUFAVUSPF-LOSJGSFVSA-N 411.461 3.701 0 1 HHAF CC(=O)Oc1ccc([C@@]2(c3ccccc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963025371 JXCKSSUQYWWUBV-HFJWLAOPSA-N 412.489 3.957 0 1 HHAF Cc1c(O)ccc2c1[C@@](CCCC(=O)O)(c1ccc3ccccc3c1)N[C@H](C(=O)O)C2 963529219 WDJANZDPQSGHJM-NBGIEHNGSA-N 419.477 3.951 0 1 HHAF O=C(Cc1ccccc1)N1N=C(c2ccc3c(c2)CCCC3)C[C@@]1(O)C(F)(F)F 1857752716 AZPVYMSQSKQMQK-OAQYLSRUSA-N 402.416 3.995 0 1 HHAF Cc1ccc(-c2c(C)noc2C)cc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 1857753845 OEOXCLQKVNTNMV-UHFFFAOYSA-N 415.467 3.704 0 1 HHAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(N=c3cc(C)n(C)[nH]3)c12 1857758673 HTHROFWYBAOOJQ-UHFFFAOYSA-N 417.473 3.907 0 1 HHAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@@H]1CCC(=CCO)CO 2356600169 CCNLJIUCOXTJDA-UECWXEIQSA-N 422.562 3.863 0 1 HHAF Cc1cc2nc(C3CCN(Cc4nnnn4Cc4cccs4)CC3)[nH]c2cc1C 4355427 PUUYHYGBZGDZJR-UHFFFAOYSA-N 407.547 3.656 0 3 HHAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4207974 UELRQBVNZQLPNE-UEXHFKJGSA-N 400.906 3.955 0 1 HHAF COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c(OC)c1OC 4211365 MSOFXCYTYOJVKB-WMZOPIPTSA-N 418.877 3.546 0 1 HHAF CC(=O)N[C@H]1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 29038727 IKINOGQZTQWAIL-QFIPXVFZSA-N 420.582 3.784 0 1 HHAF CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1CCC(Nc3cnc4ccccc4n3)CC1)C2 29129504 CQKPQGPFKZFFHT-RTWAWAEBSA-N 405.546 3.606 0 1 HHAF CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 40918827 OHVAIXHVENNVJI-MVERNJQCSA-N 419.569 3.544 0 1 HHAF COc1cc2cc(C(=O)OC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC 95596185 DEPJXHIWXNSOTK-UHFFFAOYSA-N 423.465 3.632 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]1CN2c1ccc(C(=O)Nc2ccccc2N)cn1 100071128 GYINZFUSDQBGNV-DLBZAZTESA-N 423.517 3.504 0 1 HHAF CCc1ccc(-n2c(SC[C@@H]3COc4ccccc4O3)nc3nncc-3c2O)cc1 103976819 FKEAKTQJWICWLU-INIZCTEOSA-N 420.494 3.967 0 1 HHAF C[C@H](Nc1ncc(F)c(N2CCOC2=O)n1)c1cc(F)c(Br)cc1F 142095344 ZTEQPMRFHQPIFH-ZETCQYMHSA-N 417.185 3.786 0 1 HHAF CCN1CCC(NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)CC1 143152576 MPULOCVGOZDGRW-UHFFFAOYSA-N 420.513 3.838 0 1 HHAF CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1 144908946 DNKLFZQOGLHBPG-UHFFFAOYSA-N 402.502 3.597 0 1 HHAF O=C(CC1CCOCC1)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166276818 YPXGTKJYMAMNKR-UHFFFAOYSA-N 407.514 3.710 0 1 HHAF CC1CCN(S(=O)(=O)c2ccc(-c3csc(NC(=O)C(C)C)n3)cc2)CC1 169303961 BSGGPLQCZDWXSY-UHFFFAOYSA-N 407.561 3.825 0 1 HHAF COc1ccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC 169715444 DPSXMDPPIOOOCX-YUNKPMOVSA-N 419.886 3.732 0 1 HHAF COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C2COC2)c1 204162506 ONSIKNVJAKVKOG-UHFFFAOYSA-N 417.469 3.584 0 1 HHAF COc1ccc([C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cc1 205134156 QYLWOXYZAQTVHL-LJQANCHMSA-N 404.514 3.859 0 1 HHAF COCCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1 205922876 NUKMXQFKLOWNKM-UHFFFAOYSA-N 422.363 3.648 0 1 HHAF O=C1O[C@@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCC1 209405968 BBVZXUZRZMOYHO-QHCPKHFHSA-N 405.542 3.767 0 1 HHAF CCS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587081338 ZESLRYZHZZVQSC-HNNXBMFYSA-N 402.907 3.734 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)[C@@H](C2)C3=O 587445614 WWGGNWHUWPWMGU-YEYWCJFYSA-N 414.502 3.615 0 1 HHAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@H]12 587561522 SOGJZVXWNLVFKR-GGDXVSCXSA-N 407.514 3.773 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Cl)c(NC(=O)CCC(=O)O)c2c1 587650178 YSGVFOUPHYEJTO-UHFFFAOYSA-N 420.874 3.695 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 587736585 SLFFDGYYMZALRL-MLCYQJTMSA-N 405.246 3.932 0 1 HHAF C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587772086 UZQVTCUMNSSKKE-UVARLRKDSA-N 418.310 3.600 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCCN(C(C)=O)C1 587866547 MXDIKBRYAIPUFT-OAHLLOKOSA-N 409.408 3.866 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccccc3F)c2O)c(O[C@H]2CCOC2)c1 587924508 AXAPELFJZQGGQX-AWEZNQCLSA-N 413.401 3.649 0 1 HHAF Cc1cc(-c2nc3ccc(OC(C)C)nc3n2[C@@H](C)c2ccccn2)cn(C)c1=O 1772624622 JWEPPNADKYBEOM-INIZCTEOSA-N 403.486 3.897 0 1 HHAF COc1ccccc1-c1nc2ccc(NC(=O)c3cc(C(C)(C)C)nn3C)cn2n1 1857582232 ZNIQWLLKZIXTDB-UHFFFAOYSA-N 404.474 3.688 0 1 HHAF Cc1cc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)nn1C(C)(C)C 206057920 QEQHNHCFSJHZGG-WBMJQRKESA-N 404.873 3.614 0 3 HHAF CCc1oc(=O)c(Cc2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)c(O)c1C 1566824 CUZZLIJKCADKLX-FQEVSTJZSA-N 422.433 3.925 0 1 HHAF biogenic COc1cc(CNc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc(OC)c1OC 1642384 JHHNSZCNONIYLI-UHFFFAOYSA-N 409.486 3.761 0 1 HHAF CSc1c(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc2n1C 13447815 BPYHLGZHYHZOOK-UHFFFAOYSA-N 401.491 3.959 0 1 HHAF c1ccc(CNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 13765979 KRGHFGLVEIKPNW-UHFFFAOYSA-N 414.557 3.935 0 1 HHAF O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)N(CCO)CCO 13814743 HYSTXNPJJKQOBX-VMPITWQZSA-N 412.338 3.971 0 1 HHAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1CO 13832848 IWCFGKCUXUEKBX-UHFFFAOYSA-N 400.486 3.838 0 1 HHAF NCCc1c([C@H](CN)c2c[nH]c3cc(Br)ccc23)[nH]c2ccc(O)cc12 15253039 XDYZPDVYNZANQI-MRXNPFEDSA-N 413.319 3.709 0 1 HHAF biogenic O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)Nc1cccc(O)c1 15673616 BPFNCJFEWDXXAY-ROUUACIJSA-N 421.497 3.756 0 1 HHAF biogenic COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)C1CCCCC1 15676466 GLQUCUFSYWBMAZ-IBGZPJMESA-N 415.921 3.591 0 1 HHAF biogenic O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 34023638 UQZIBYPLWBTFTR-UHFFFAOYSA-N 400.438 3.837 0 1 HHAF CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O 45337778 GZWAPPJQZHYUJY-RJADORODSA-N 418.530 3.823 0 1 HHAF CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(F)cc2[C@]3(O)c2ccccc2)CC1 45367587 SDXJIAFMDQSLKZ-VWLOTQADSA-N 418.468 3.603 0 1 HHAF CCc1cc([C@@]2(c3cccc(-c4cccnc4F)c3)NC(=N)N(C)C2=O)cc(CC)n1 45389336 FWLPFLWMHMGKPS-XMMPIXPASA-N 417.488 3.647 0 1 HHAF COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1 49109509 NSZVZFDEDFPQKZ-UHFFFAOYSA-N 414.389 3.713 0 1 HHAF O=C(c1ccc(F)c(F)c1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 59282937 MVEJARAPHRQKQA-UHFFFAOYSA-N 403.187 3.900 0 1 HHAF CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(F)cc(-c2nnn[nH]2)c1 84655451 IMXWHSQEAKBLFF-UHFFFAOYSA-N 411.437 3.500 0 1 HHAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(F)cc(F)c3)cc21 95561648 ZUFMODSSQQYTAR-KRWDZBQOSA-N 417.408 3.794 0 1 HHAF O=C(C1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95877358 NIYISRRIBSVVNJ-VJBMBRPKSA-N 410.489 3.595 0 1 HHAF COc1ccc2c(c1)CCc1c(-c3ccc(O[C@H](C)CN(C)C)cc3)nc(N)nc1-2 96935149 MMVNARZZQWUGQI-OAHLLOKOSA-N 404.514 3.829 0 1 HHAF CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccccn4)cc3)n2)c(=O)c1=O 101595788 RKTITQZFTQXTSL-UHFFFAOYSA-N 414.469 3.832 0 1 HHAF C[C@@]1(c2cc(NC(=O)c3ccc(OCCF)cn3)ccc2F)C=CSC(N)=N1 147081890 LHHOGWNCFIQLHU-IBGZPJMESA-N 404.442 3.612 0 1 HHAF CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 169292907 OHVAIXHVENNVJI-JQYIIUTOSA-N 419.569 3.544 0 1 HHAF CS(=O)(=O)c1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1 169341354 SZWHHQGVUVYLDU-UHFFFAOYSA-N 410.447 3.598 0 1 HHAF O=[S@@](CCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Br)cc1 586957671 AKVRPLXEJNJOSW-DEOSSOPVSA-N 403.305 3.942 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 587125917 HKAOPDNHUSUYBX-QUBYGPBYSA-N 401.190 3.891 0 1 HHAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(Cl)c(Br)cnc3[nH]1)C2 587247599 UMOGEPOKRGUIMV-QGZVFWFLSA-N 407.699 3.725 0 1 HHAF CCOC(=O)CSC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369160 DCVNJOPCIWWLPO-FPOVZHCZSA-N 404.459 3.945 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(=O)O)c1OC 587591150 FYTHJZCGSCFGPC-WIYYLYMNSA-N 422.389 3.811 0 1 HHAF COC(=O)c1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595365 RKGZUMHYAYWDMH-DENIHFKCSA-N 406.390 3.890 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc3c(cc12)OCCO3 587606846 FHCNHNMCJYWNBA-URXFXBBRSA-N 402.402 3.967 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)s1 587615420 WTFRCAAOFLLBEX-NZQKXSOJSA-N 423.490 3.989 0 1 HHAF CN1CCc2c(sc(N)c2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587618379 OHTFKJBZFFRMHK-WMZHIEFXSA-N 422.506 3.901 0 1 HHAF CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F 587621311 AIMYMAAMPWMTKF-UHFFFAOYSA-N 404.142 3.728 0 1 HHAF CS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587658428 QHHBTVIUUFTAOV-UHFFFAOYSA-N 412.417 3.734 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 587744129 GGXRDIOWBAUKOR-BCTVWOGZSA-N 406.255 3.944 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587769945 PBLFVEJKGYCSAS-BIBXISHDSA-N 417.278 3.784 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799962 VJXIQPCHHLLKOC-LCCAYYTGSA-N 414.315 3.886 0 1 HHAF O=C(CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)n1nc2cc1Oc1ccc(F)cc1-2 587877094 ZYVLILMOAMTKPE-NAZSJPOASA-N 420.448 3.807 0 1 HHAF COc1ccc(OC)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1OC 587927492 VHMBTYPABWIZDA-UHFFFAOYSA-N 416.377 3.549 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)c1c(C)nn(CC)c1C)C(=O)OC 963234158 UYDXCXUVQBMNDI-GYCJOSAFSA-N 411.546 3.818 0 1 HHAF Cn1cc(-c2ccc3nc(NC(=O)c4cccnc4)cn3n2)c(-c2ccc(F)cc2)n1 1772653052 WQDRLIACKYDTNG-UHFFFAOYSA-N 413.416 3.583 0 1 HHAF C=C1O[C@@H]([C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2ccc(OC)c(OC)c21 2356590647 XKIFTXQTBJZSEZ-WOJBJXKFSA-N 411.454 3.712 0 1 HHAF COc1cc(OC)c2c(c1)=C[C@@H](C)N(c1ccc(OC)c3c(OC)cc(C)cc13)C=2C 2356871165 XXZXJPIJNJDWHT-MRXNPFEDSA-N 419.521 4.000 0 1 HHAF COc1ccc([C@@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 1486959 OHOXTJAQCQVJEZ-GOSISDBHSA-N 409.438 3.829 0 1 HHAF CS(=O)(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 8536361 WSUBCBYLZJAGHN-UHFFFAOYSA-N 422.485 3.994 0 1 HHAF CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@@H](C)C3)c2n1Cc1cccnc1 11839530 UZIMPAFOYZDKFB-MRXNPFEDSA-N 419.529 3.873 0 1 HHAF COc1cc(Cc2nc3c(N)ncnc3n2CC2CCCCC2)cc(OC)c1OC 13839096 GAOGQUAEAKLGCK-UHFFFAOYSA-N 411.506 3.605 0 1 HHAF Cc1ccc(C(=O)CN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 26969185 IWGBUOOORQCIFK-UHFFFAOYSA-N 420.490 3.585 0 1 HHAF C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559625 NUSBNPJDZNYDIC-UHOSZYNNSA-N 417.571 3.760 0 1 HHAF CCCCOP(=O)(OCCCC)OCN1C(=O)[C@@H](CC(C)C)CS1(=O)=O 27626365 GXHVDOIYIMBJBN-HNNXBMFYSA-N 413.473 3.536 0 1 HHAF C1CCc2c(c(N3CCOCC3)nc3sc4c(OC5CCCC5)nnnc4c23)C1 28949373 UGZLTVAHWXOTGD-UHFFFAOYSA-N 411.531 3.671 0 1 HHAF Cc1cccc(C(=O)N2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)c1 40896456 OXJXXSDOAJKXKB-UHFFFAOYSA-N 418.541 3.580 0 1 HHAF CCCCN1C(=O)[C@@H]2CN(C(=O)Nc3ccccc3-c3ccccc3)CCN2C1=O 72176486 DMIXIZRPUSPXMM-FQEVSTJZSA-N 406.486 3.634 0 1 HHAF CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 82178389 PMNKWGBYRVAZKC-FQEVSTJZSA-N 413.529 3.985 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C)N2 82207195 CVIXJAFESWTSLE-GFCCVEGCSA-N 411.333 3.637 0 1 HHAF O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 84671010 ICADOZGMHMZBEZ-UHFFFAOYSA-N 400.526 3.628 0 1 HHAF CCOc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nn1-c1ccccc1F 95552244 MLFFCILPEDOIHN-KRWDZBQOSA-N 411.433 3.664 0 1 HHAF CC(=O)N1CCC(c2cccnc2OC2CCN(c3ncccc3Cl)CC2)CC1 96169050 AFVUYXZOIPMFBU-UHFFFAOYSA-N 414.937 3.904 0 1 HHAF CCCCCCc1ccc2c(CC[C@](N)(CO)COP(=O)(O)O)cccc2c1 103301199 MIELCBTXDNTJFL-NRFANRHFSA-N 409.463 3.694 0 1 HHAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1 139044908 CDURXQVCODOKPX-JOCHJYFZSA-N 420.488 3.847 0 1 HHAF Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)c2)c1 169305515 OITVFZXFBDIOLE-CMWLGVBASA-N 404.466 3.692 0 1 HHAF Cn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(Cl)c2)CC3)cn1 169702335 XIOOCGJEAWLNCW-UHFFFAOYSA-N 405.893 3.697 0 1 HHAF CC1(C)Oc2ccc(-c3cc(Cl)cnc3Cl)cc2[C@@]2(COC(N)=N2)C12COC2 220719308 HCRMCIFUVDVQDP-FQEVSTJZSA-N 420.296 3.783 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(CCO)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253708589 VOCNVBNHMPOAMF-YBRNANKWSA-N 418.622 3.697 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3ccncc23)CC1 299814921 YPCRGPXNTYVGQS-MJNMERRXSA-N 417.509 3.763 0 1 HHAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586910101 NUJWZNKAVCLNOH-LBPRGKRZSA-N 419.890 3.826 0 1 HHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1 586961554 KDTFAJVMFWYJJL-BYPYZUCNSA-N 402.224 3.535 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 587038767 BPAMKMQBNOKHFV-SJORKVTESA-N 418.526 3.569 0 1 HHAF CC(C)(C)[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361588 WLPXTJJRIHHSMG-RXVVDRJESA-N 406.475 3.720 0 1 HHAF Cn1ncc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540293 MQNXYBQCJOQUQJ-KBXCAEBGSA-N 401.216 3.591 0 1 HHAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591335 VIHKXWDDCUSQBQ-JPYJTQIMSA-N 405.406 3.920 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2C1 587594103 LBJDDPZXVDGTOM-OMEQDGDUSA-N 423.465 3.835 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNC3=O)cc2)N1 587765530 JRPLIRPRDIHINV-ODXCJYRJSA-N 418.310 3.916 0 1 HHAF COC(=O)c1ccc(C=O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803663 BFCFVEQQZCHDPA-YPMLDQLKSA-N 406.251 3.811 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cn(CC)nc2C)on1 587871588 KQXYAWDWCIFLCY-UHFFFAOYSA-N 409.421 3.956 0 1 HHAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587936933 NCRKCQMZLMBPFC-QLJPJBMISA-N 414.405 3.702 0 1 HHAF COc1cccc([C@]2(C[C@@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1 962575249 VWAWTQQMOMGKJH-DQIAKBPPSA-N 413.514 3.943 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@@H]1CCCN(Cc3ccccc3)C1)C2 1772626547 IFAUDIFDZPQQDU-WIYYLYMNSA-N 423.509 3.514 0 1 HHAF CCOC(=O)C1=C2CCCN2C(c2cnn(C)c2)=N[C@@H]1c1ccc(F)cc1Cl 1857631838 UEOFWLWPXMONFD-GOSISDBHSA-N 402.857 3.627 0 1 HHAF CN1CCN(C[C@@H](OC(=O)c2cccc(Br)c2)c2ccccc2)CC1 1857646345 ZVJSAAVMCROGSO-LJQANCHMSA-N 403.320 3.595 0 1 HHAF CC=C(C)C(=O)OCC(COC(=O)C(C)=CC)c1cc(OC)c(OC)c(OC)c1 2356559256 CTQGAVDARMHSRT-UHFFFAOYSA-N 406.475 3.815 0 1 HHAF CCCN(CCCCN1C(=O)c2ccccc2C1=O)[C@H]1COc2cccc(OC)c2C1 13737054 ISIUTFCGQWDGHC-GOSISDBHSA-N 422.525 3.787 0 1 HHAF O=C(NCCCc1nnc(S)[nH]1)c1ccc(OCc2ccnc3ccccc23)cc1 28903203 AZDMTLYFRFXZGD-UHFFFAOYSA-N 419.510 3.583 0 1 HHAF COc1ccc([C@@H](NC(=O)COc2cccc(C)c2C)P(=O)(OC)OC)cc1 73220181 GPQXUNMQCFAQNN-FQEVSTJZSA-N 407.403 3.992 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccnc(Nc3ccccc3)n2)c[nH]1 87612950 IZAPCWPWFYEBOJ-UHFFFAOYSA-N 413.437 3.874 0 1 HHAF Cc1nn(CCN2CCCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95553894 XYINRPDNNRDMAZ-UHFFFAOYSA-N 406.933 3.637 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](CCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 95581845 FPPCSQYNOOZECN-KXBFYZLASA-N 410.514 3.585 0 1 HHAF CCCCCCc1ccc2cc(CC[C@@](N)(CO)COP(=O)(O)O)ccc2c1 103301193 BHQNAEVVGDUWQK-OAQYLSRUSA-N 409.463 3.694 0 1 HHAF CCCCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 109206712 CRBWSCQTBBPMTG-SFTDATJTSA-N 409.482 3.933 0 1 HHAF CNCCCC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 145598472 KSHNRZSDLOVYHT-NRFANRHFSA-N 417.481 3.837 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@H]2C[C@H]3C[C@@]3(c3ccccc3)C2)n1C 169296852 XWXGIXOQLMBDID-SPEDKVCISA-N 409.559 3.971 0 1 HHAF CCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709883 BVYSJCHXFIUBCZ-HNAYVOBHSA-N 400.498 3.532 0 1 HHAF CN(Cc1ccccc1)c1ccccc1NC(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O 214234525 QTZVHXCBIAJAQV-PZJWPPBQSA-N 414.509 3.924 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255287452 ZODJZVRYUQWYON-FGKNVDMNSA-N 422.606 3.537 0 1 HHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 586951529 PYLZKJTXJRFSMV-UHFFFAOYSA-N 408.452 3.978 0 1 HHAF COC(=O)c1cc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2cc1OC 587028894 BHXFHJKKRSAMNJ-UHFFFAOYSA-N 410.455 3.508 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 587125197 CYJCSSCESDMVGC-RCOVLWMOSA-N 401.190 3.891 0 1 HHAF CS(=O)(=O)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361081 RFNWNWQVZSHMDS-LKUPVBHCSA-N 404.459 3.616 0 1 HHAF Cc1nc(O)nc(S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370740 AYSQSUMGIXANBT-LAUBAEHRSA-N 412.442 3.898 0 1 HHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I 587387499 SRIJDZYJCHUIFT-INIZCTEOSA-N 409.223 3.897 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)[C@@H](C2)C3=O 587432288 VXLYOWRIGMOPAX-HYOJIZAISA-N 415.445 3.823 0 1 HHAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 587809636 SKFFYHSTKUMNGJ-MLCYQJTMSA-N 406.251 3.811 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cnc(-c3ccccc3)[nH]2)N1 962693687 GGXGDALMBZKNFC-WBVHZDCISA-N 405.351 3.923 0 1 HHAF O=C(N[C@H]1CCC[C@H]1Cc1cc(C(F)(F)F)ccn1)c1ccccc1-n1nccn1 1772606050 MDUDGDCORVMJGD-KSSFIOAISA-N 415.419 3.822 0 1 HHAF COc1ccc(OC(F)(F)F)cc1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772629945 RDLFDASXDQYGEN-OAHLLOKOSA-N 423.347 3.954 0 1 HHAF Cn1ccnc1CCO[C@H](c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl 1772637416 ULBCSYUKODTPKF-FQEVSTJZSA-N 410.861 3.997 0 1 HHAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2ccc(N)cc2)nn1 1857632882 VQGBCOIOYDRQMC-UHFFFAOYSA-N 420.420 3.622 0 1 HHAF CCCCC(=O)Nc1ccc(CCN[C@H](CO)c2ccc(O)c3nc(O)ccc23)cc1 1857651743 YGFAZOGSVUPPGW-HXUWFJFHSA-N 423.513 3.640 0 1 HHAF COc1ccc(C=CC[C@H](c2ccc(OC)c(OC)c2)[C@H](O)CCO)cc1OC 2356489045 HXCGBYDGJKYLDZ-RTBURBONSA-N 402.487 3.651 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]2[C@@H](OC(C)=O)C[C@H]2C(=O)OC[C@H]21 2356791634 IULFWSJYZWKMIN-CVQOWSQTSA-N 420.546 3.903 0 1 HHAF O=C(CCc1nnc(CCC2CCCCC2)o1)N1CCC[C@H](CN2CCCC2)C1 11933899 VKBZKJXBPAGBQL-HXUWFJFHSA-N 402.583 3.850 0 3 HHAF Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1 12434626 HHEJXMJXBAOZJF-UHFFFAOYSA-N 420.513 3.694 0 3 HHAF CN(c1ccc(-c2csc(Cc3nc4ccccc4n3C)n2)cc1)S(C)(=O)=O 7119367 LJIULHLTOZIAHH-UHFFFAOYSA-N 412.540 3.683 0 1 HHAF Cc1cc(OC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c2c(C)c(C)c(=O)oc2c1 16042459 YMUWEMVJDWUEIT-MRXNPFEDSA-N 409.438 3.939 0 1 HHAF biogenic CN(C)CCCn1cc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)c2ccccc21 28375837 DPTJTWOSTGZPKA-UHFFFAOYSA-N 422.916 3.726 0 1 HHAF O=C1C[C@@H](c2ccccc2Cl)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 38559591 LLYZNICLUVLSRO-SFHVURJKSA-N 418.324 3.616 0 1 HHAF O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 40430863 CZAJGZOLIKJIHX-UHFFFAOYSA-N 418.419 3.990 0 1 HHAF COc1ccc(C2=C(OC(C)=O)Cc3c(OC(C)=O)cc(OC)c(OC)c3O2)cc1 40916936 OKLNJBHIMGJZSP-UHFFFAOYSA-N 414.410 3.505 0 1 HHAF biogenic C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1 40950025 RRMJGXWUBNPGIF-QGZVFWFLSA-N 400.544 3.642 0 1 HHAF Cn1c(=O)oc2cc3c(cc21)[C@@H](c1cccc(OC(=O)c2ccccc2)c1)NCC3 45340017 NRPNWXNYIBVJMU-JOCHJYFZSA-N 400.434 3.586 0 1 HHAF O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 73221324 SGBSKNKMLNQHSJ-MHECFPHRSA-N 420.944 3.787 0 1 HHAF in-vivo CCN1CCN(c2nc(NCc3ccc(C)cc3)c3cc(OC)c(OC)cc3n2)CC1 82131009 WZUSVVIYCJQCTH-UHFFFAOYSA-N 421.545 3.709 0 1 HHAF C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211129 NJUZKYJPGMLZBD-QGZVFWFLSA-N 412.493 3.810 0 1 HHAF COc1cc(-c2cn[nH]c2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 95552234 CVMLZSHFQUWUDA-UHFFFAOYSA-N 404.474 3.999 0 1 HHAF Cn1nc(C(=O)NCC2CCN(CCc3ccc(Cl)cc3)CC2)c2ccccc21 95564861 MOOXXJOKWMRQEM-UHFFFAOYSA-N 410.949 3.911 0 1 HHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(OC)c(Br)c1 103544387 JVEOXNPLXQECQY-WUVIJCSQSA-N 410.264 3.879 0 1 HHAF CCN(CC)CCOc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 169316588 VBCSFQUZEYFXGN-UHFFFAOYSA-N 409.921 3.992 0 1 HHAF CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 195940696 VDMGYZRQGVMXIO-OJAHFUOMSA-N 418.562 3.613 0 1 HHAF CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC[C@@]13C[C@@]4(C)C[C@H]5C(=O)OC[C@]51[C@@](C)(C[C@H]32)C4=O 238771733 UOLOMGXHYRADOZ-WDHXGDCZSA-N 412.526 3.849 0 1 HHAF O=C(O)c1ccccc1NC(=O)N1CC2(C1)CN(c1ccccc1C(F)(F)F)C2 299828047 GQZMIPOABTVFTH-UHFFFAOYSA-N 405.376 3.758 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014764 YIMZWNSHMUAJQX-UHFFFAOYSA-N 416.503 3.817 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(F)(F)F 587093006 QARQRKMPEQSROH-IBGZPJMESA-N 423.391 3.521 0 1 HHAF COC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC(OC)(OC)C1 587099586 NSQHHOPIXKYPAC-UHFFFAOYSA-N 417.461 3.948 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587164261 ZSRZWSWAQAHRKU-UHFFFAOYSA-N 403.479 3.596 0 1 HHAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(NC(N)=O)cc3)[nH]c2c1 587243699 PMGMCFIRTHEMLA-UHFFFAOYSA-N 403.236 3.660 0 1 HHAF O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 587358775 XHWZGGNWRVEGOC-REWPJTCUSA-N 408.381 3.662 0 1 HHAF Cn1cnc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547748 RKOBXLOVBVMOFC-GUYCJALGSA-N 401.216 3.591 0 1 HHAF COC(=O)Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587590946 DRWUCRUVKRNBCJ-NFBKMPQASA-N 406.390 3.516 0 1 HHAF CCOC(=O)C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616911 HFNSSYRMSNNEBU-LAUBAEHRSA-N 411.435 3.659 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)N2NN=NC2=N1 587790588 CUJLJQHPZNKLOW-UYDXONCASA-N 407.291 3.557 0 1 HHAF COc1cccc(C[C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804752 BRGDHSDFFPAUFC-NSPYISDASA-N 408.267 3.654 0 1 HHAF C[C@H](O)[C@@]1(c2cccs2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963199063 VSFDYCPQFLEIIQ-SGEDMPRTSA-N 405.825 3.644 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCC4)CC3)c2)c1 1772602215 PGTQGEQQXILNBM-UHFFFAOYSA-N 406.530 3.523 0 1 HHAF O=C(c1cccn2cncc12)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 1772615246 HDXOKNFWVWBAOR-LJQANCHMSA-N 408.408 3.811 0 1 HHAF COC(=O)c1cccc(N2N=C(C)[C@H](C(=O)Nc3cccc(-c4ccco4)c3)C2=O)c1 1857563560 RIIIHBHDKGQULN-HXUWFJFHSA-N 417.421 3.711 0 1 HHAF CCCc1nn(C)c2c(N(C)C)nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc12 1857612163 QHVUZOGCTIJKBD-ZHACJKMWSA-N 411.506 3.578 0 1 HHAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)nc21 1857630289 ZECLUEQHECZEQQ-UHFFFAOYSA-N 417.421 3.973 0 1 HHAF CC[C@H]1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)NC)cn21 1857770486 RPXMWNGPBSDKNC-SFHVURJKSA-N 418.493 3.970 0 1 HHAF CC[C@H](C)[C@@H]1C=C[C@@H]2[C@H](O)[C@H](OC(=O)C=C(C)CC(=O)O)C[C@H](C)[C@@H]2[C@]1(C)C(C)=O 2356573230 FUTZVCABGNACKX-NPIWQBBTSA-N 420.546 3.780 0 1 HHAF CCCCc1cc(=O)oc2cc(OCC(=O)NCC3CCC(C(=O)O)CC3)ccc12 2118645 AACYBGHKLHTHHO-UHFFFAOYSA-N 415.486 3.522 0 3 HHAF biogenic COc1cc2c(cc1OC)[C@@H](C(=O)N(C)C1CCCCC1)[C@H]1CCCCN1C2=O 2456110 GAGVQHJYTIYDQP-WIYYLYMNSA-N 400.519 3.587 0 3 HHAF CCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)NCc2ccc(OC)cc2)C1=O 15937250 FIFZWQPJCAQSPC-JTHBVZDNSA-N 408.542 3.819 0 3 HHAF COC(=O)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 7096758 DKGNMMIWARIHBU-OAHLLOKOSA-N 410.495 3.868 0 1 HHAF biogenic CN(CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O 13758598 YXKQXQPNOITGIQ-UHFFFAOYSA-N 414.912 3.923 0 1 HHAF c1ccc(COC[C@@H]2CCCN2CCc2c[nH]c3ccc(-n4cnnc4)cc23)cc1 13794042 HKFTVHZSGNUMDA-QFIPXVFZSA-N 401.514 3.972 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)C2=O 15262579 DFSRAKRRKOYPCQ-WDEREUQCSA-N 400.427 3.825 0 1 HHAF biogenic COc1ccc(-c2cn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c23)cc1 27993357 BTTMLBSKRMZJEQ-HNNXBMFYSA-N 409.490 3.871 0 1 HHAF CC(=O)c1cccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1 28823834 AXDTZAXSHKWBCA-UZLBHIALSA-N 412.415 3.695 0 1 HHAF OC[C@H](CN1Cc2cccc(F)c2C1)N1CCC(c2noc3cc(F)ccc23)CC1 38308956 XPQFMRCQDNWUBC-SFHVURJKSA-N 413.468 3.662 0 1 HHAF COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1 72176905 FEJYXUSNDZMQOV-UHFFFAOYSA-N 402.903 3.782 0 1 HHAF CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCCCC2)cs1 82071632 KCSYCXPSPXACIA-GOSISDBHSA-N 417.600 3.750 0 1 HHAF O=C(N[C@@H](CO)COCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 82085905 AOGDLNQEXROMTD-KRWDZBQOSA-N 402.903 3.771 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccccc1[C@H](NC(=O)C(F)(F)F)C[C@@H]2O 84604632 MISWPTCEGRYQCL-KGLIPLIRSA-N 411.376 3.536 0 1 HHAF COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893709 PSUJBPLGSPYZIK-GPXNEJASSA-N 406.526 3.675 0 1 HHAF Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C 101297028 NFQWOMAFZMZYOX-KOMQPUFPSA-N 403.477 3.530 0 1 HHAF CNc1nc(NCCCN(C)C)c2sc(-c3ccc(-n4cccn4)cc3)cc2n1 103263099 LPUOFBUYUBIRTG-UHFFFAOYSA-N 407.547 3.949 0 1 HHAF NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c(N[C@H]3CCCNC3)ncnc12 114348292 ASDFZNDXNNEZEE-ZDUSSCGKSA-N 416.312 3.866 0 1 HHAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccc(F)cn3)ns2)n1 144488698 UQRIWYJCIHLDPZ-UHFFFAOYSA-N 406.450 3.753 0 1 HHAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)c([N+](=O)[O-])c4)c3c2s1 207581369 CYEDYOVSORTFAY-UHFFFAOYSA-N 410.415 3.872 0 1 HHAF C[C@H]1CN(CCN(C)C(=O)CCc2ccc(O)cc2)CC[C@]1(C)c1cccc(O)c1 253637563 ICALOHJSRJGEMV-DFBJGRDBSA-N 410.558 3.789 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(Br)c(Br)c2)C[C@H]2CC[C@H]1N2C 253740344 UWYWQPVLTBLACL-YIKOMLBNSA-N 417.141 3.951 0 1 HHAF COC(=O)c1ccc(Oc2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)cc1 586924226 MCPWQHZGBWAAJP-UHFFFAOYSA-N 414.483 3.999 0 1 HHAF CCc1cc(O)nc(SCc2nc3c(Cl)c(Br)cnc3[nH]2)n1 586967367 YNCGZMUBYXBPQZ-UHFFFAOYSA-N 400.689 3.724 0 1 HHAF COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 587000967 PQKOFLODRFCBCQ-AWEZNQCLSA-N 413.275 3.836 0 1 HHAF Cn1nc(-c2nc3cnc(N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130118 FDCHVZPUZRRGHM-UHFFFAOYSA-N 407.384 3.757 0 1 HHAF O=S(=O)(c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1)C(F)(F)F 587164826 CATQXQPMDWVHOG-UHFFFAOYSA-N 424.379 3.907 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2ccc(C(C)=O)cc2[nH]1 587179364 VLEHUEJEZMTJDA-UHFFFAOYSA-N 407.211 3.628 0 1 HHAF COC(=O)C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347140 OJRVKSLUGTYQBI-GGAORHGYSA-N 407.397 3.744 0 1 HHAF O=C1C[C@H](c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587519124 UWCTXYJNUZAVMA-HSZRJFAPSA-N 421.493 3.510 0 1 HHAF CCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587606640 IOERJVPIBJIKTH-KNQAVFIVSA-N 410.447 3.889 0 1 HHAF Cc1cccc2c1OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612509 VKPXJJPRESMGJP-DVECYGJZSA-N 416.385 3.919 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587743026 CIIWENJEDHQLOT-GIGQVBGESA-N 405.315 3.711 0 1 HHAF COc1cc(C(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805347 GALNEEOZUNNKFC-LZVRBXCZSA-N 424.266 3.927 0 1 HHAF COc1ccc2c(c1OC)[C@](C)(CCc1ccc(OCC(=O)O)cc1)N(C)[C@H](C)C2 962636188 YNSRHJVBTFGOAN-GYCJOSAFSA-N 413.514 3.892 0 1 HHAF COc1cc2c(cc1OC)[C@]1(CC(=O)CC(C)(C)C1)N(C(=O)c1ccccc1N)CC2 963154731 MCPUNZPQMQVFFZ-RUZDIDTESA-N 422.525 3.959 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2coc3cc(Cl)ccc3c2=O)N1 963228969 PGIQPKNCTSTPOG-UYAOXDASSA-N 406.825 3.683 0 1 HHAF Cc1c(C)n(C)c2c(=O)n(-c3ccccc3)c(SCC(=O)NC3CCCCC3)nc12 1772610631 NGRQHJQFWPAFCC-UHFFFAOYSA-N 424.570 3.882 0 1 HHAF CC(C)Oc1cc(N2CCOC[C@@H]2C(F)(F)F)nc2c(-c3cc[nH]n3)nccc12 1911574215 ZDECBZFMJDZFBJ-OAHLLOKOSA-N 407.396 3.575 0 1 HHAF CC1=C[C@H](CN2CCC(O)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356301233 ZTRPCMZBZFZFGE-TUNNFDKTSA-N 410.562 3.985 0 1 HHAF CC(C)CCCCCCC[C@]1(O)C=C[C@@H]2N(CCCCCNC(=N)N)CCCN21 2356849227 PUAXGUFEEOLOPY-GGAORHGYSA-N 407.647 3.619 0 1 HHAF CCC(C)(C)n1nnnc1[C@@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1 19499651 DSVFTAAIENQJBL-OAQYLSRUSA-N 407.518 3.680 0 3 HHAF O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199719814 ZOLYDVWINROCTI-KRWDZBQOSA-N 415.877 3.772 0 3 HHAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c1 4077515 MTHVMGUDERWAMQ-TZIWHRDSSA-N 414.889 3.689 0 1 HHAF COc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 20512164 DLFIFCSEADCOMK-UHFFFAOYSA-N 419.506 3.908 0 1 HHAF COc1ccc(CNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)cc1 20579244 PYXHQZPOGOQLLG-UHFFFAOYSA-N 417.465 3.826 0 1 HHAF CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(C)o2)n2nccc2N1 40420989 MSEWEHGGUFAFQN-JOCHJYFZSA-N 421.476 3.561 0 1 HHAF CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)c1 40950088 MMWQSRBMLKJUGB-HNAYVOBHSA-N 415.921 3.851 0 1 HHAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82181408 BRLIZISCHNDUNU-UHFFFAOYSA-N 414.941 3.817 0 1 HHAF O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 95589811 LLVALEUPUXIQNY-QGZVFWFLSA-N 413.320 3.690 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1[nH]cnc1Cl 103222092 VPFCSIYUAVQQPU-KRWDZBQOSA-N 415.877 3.604 0 1 HHAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4cncnc4)cnc3[nH]2)c1)N1CCCC1 103270907 KKULMHBJUYCGDC-UHFFFAOYSA-N 403.421 3.849 0 1 HHAF CCc1nn(Cc2ccc([S@](=O)Cc3ccccc3)cc2)c(CC)c1CC(=O)O 168959927 QSQTULRLFJHUCH-LJAQVGFWSA-N 410.539 3.991 0 1 HHAF CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 169688628 KDZMTMYRXNYKBE-SJORKVTESA-N 410.451 3.599 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2OC)c1 169707072 FKAWBVLBBCRZNL-GOSISDBHSA-N 418.497 3.575 0 1 HHAF C[C@@]1(c2cc(-c3cccc(C#N)c3)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1 207726339 SRFOUNRPSJUNFZ-NRFANRHFSA-N 411.502 3.678 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c2n[nH]c1C(=O)NC[C@H]1CCCO1 253640085 VCYHUCFEOYVTLC-NFONGOJRSA-N 421.541 3.594 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 586945020 BGNVOFSILVVXGC-ZDUSSCGKSA-N 423.897 3.788 0 1 HHAF Cc1ccc(C)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 587001418 ZGJWZFALXKKXJT-UHFFFAOYSA-N 400.276 3.910 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587017384 VTSDMNXYEOQEIA-INIZCTEOSA-N 406.533 3.568 0 1 HHAF COC(=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587065087 ZAKRNQCYZGQYNH-UHFFFAOYSA-N 423.856 3.911 0 1 HHAF COC(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1 587116391 FOXZQNPNOUXMRI-UHFFFAOYSA-N 413.787 3.733 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 587344522 GXSYDEPYABMEHR-NFBKMPQASA-N 401.397 3.952 0 1 HHAF CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)CC(=O)c2cc(C)cc(N)c2O1 587390377 MNNOHWWTGXXZBY-XMMPIXPASA-N 419.481 3.804 0 1 HHAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585293 CYMCQYOLRBGCOY-SKPFHBQLSA-N 419.433 3.854 0 1 HHAF COC(=O)c1cc([C@@]2(c3ccccc3)NCCc3cnc4c(OC)cccc4c32)c[nH]1 963062142 ZYDXYEFEMVKDAN-RUZDIDTESA-N 413.477 3.796 0 1 HHAF CC(=O)N(C)[C@H](C)[C@@]1(c2ccc3c(c2)OCO3)c2ccc(F)cc2C[C@H]2CCCN21 963092468 KSFFCAXDHQFVQL-QQQUVDROSA-N 410.489 3.685 0 1 HHAF COc1ccc(S(=O)(=O)c2ccccc2-c2cn(-c3ccccc3OC)nn2)cc1 1857543653 CUNZSDDPNJDFBM-UHFFFAOYSA-N 421.478 3.784 0 1 HHAF COc1cc(OC)cc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857591394 CWMOSIFYRGEUMT-DEOSSOPVSA-N 401.466 3.611 0 1 HHAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C(C)=O)cc1OC 1857606415 JEYNGPVEPGBBPQ-UHFFFAOYSA-N 412.442 3.920 0 1 HHAF COc1nn(C(C)C)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12 1857744282 AMSLRDAAPWCMAH-UHFFFAOYSA-N 416.290 3.523 0 1 HHAF COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356299250 CPCFJNQTGBWBHN-LPHOPBHVSA-N 417.868 3.742 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 2356304625 VPNQOHLYUFTHNM-BHDDXSALSA-N 414.594 3.992 0 1 HHAF CC(=CC=CC=C[C@]1(C)[C@H](C)C(=O)O[C@@H]1[C@H](C)C(=O)O)[C@@H]1[C@H](C)C(=O)[C@@](C)(O)[C@H]1C 2356822284 FTWALXVHOVPIMY-CZGBZBBCSA-N 418.530 3.556 0 1 HHAF COc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(c2cc1OC)CNC3=O 1731090 LXPGOZAAMPJFEA-UHFFFAOYSA-N 409.438 3.793 0 1 HHAF in-vivo CCOc1ccc2nc(N3CCC[C@@H](NCCc4ccccn4)CC3)nc(C)c2c1 11790960 JVWSMWWGWLWEQX-HXUWFJFHSA-N 405.546 3.923 0 1 HHAF CN(CCSc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 13888654 FSKSQMQNCXZCHI-KRWDZBQOSA-N 413.524 3.950 0 1 HHAF COc1cc(OC)c([C@@H]2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)cc1OC 15150827 IFQCOXCDQXGBFK-AWEZNQCLSA-N 412.438 3.961 0 1 HHAF biogenic,in-vitro Cc1ccc(N(Cc2nc3nc(C)cc(O)n3n2)C(=O)c2ccccc2Cl)cc1 21795974 JJYLUSGQJXECHX-UHFFFAOYSA-N 407.861 3.947 0 1 HHAF O=C1c2ccccc2CC[C@@H]1CNCCc1ccc(O)c(I)c1 31977081 DUOOAUBZMQZYLO-OAHLLOKOSA-N 421.278 3.574 0 1 HHAF in-vitro CC(=O)Nc1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 84619717 YMJNNHWSYYWKRF-SXGWCWSVSA-N 417.215 3.637 0 1 HHAF O=C(O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145575848 UJYJTGRYNPHTFW-INIZCTEOSA-N 410.451 3.816 0 1 HHAF CCS(=O)(=O)Nc1ccc(OCC(C)(C)C)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146715380 MAEDJUGOIKDPTL-UHFFFAOYSA-N 417.531 3.720 0 1 HHAF CC[C@@H](C)C(=O)N1CCN(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167393314 HKEIHZCBKGGTHI-GOSISDBHSA-N 406.530 3.929 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 195940698 VDMGYZRQGVMXIO-RNQOJCNYSA-N 418.562 3.613 0 1 HHAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3cccnc3)cc2F)cn1 212179552 NKQQPUMXPGOEJR-UHFFFAOYSA-N 421.457 3.728 0 1 HHAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4cncc(C5CC5)c4)nc3n2)C1)N1CCCC1 221396715 LTIMLWFUJDAWHH-QGZVFWFLSA-N 416.529 3.736 0 1 HHAF CCCC[C@H](NC(=O)O[C@H]1C[C@H]2CC[C@H]1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 253638196 HMVXEHSUUNUEBL-JVJLKXRTSA-N 400.519 3.907 0 1 HHAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C5CCC5)[nH]c4c3)cc2)CC1 586885088 VYKWRTAVOHFYKS-UHFFFAOYSA-N 403.530 3.830 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)c(Br)c2[nH]1)C(C)C 586933617 ULLFUXHFZDFDQC-ZDUSSCGKSA-N 406.321 3.881 0 1 HHAF CCc1ccccc1NC(=O)c1nc2c(Br)cc(C(=O)OC)cc2[nH]1 587240870 JZMPDSKZFOVPAZ-UHFFFAOYSA-N 402.248 3.927 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC(C)=O)ccc1Br)[C@@H](C2)C3=O 587413378 NKYJQQXEVUEDRU-LIRRHRJNSA-N 403.228 3.872 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 587767969 SGVHDUFKBCHPEL-BUXKBTBVSA-N 408.315 3.557 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2C(=O)COc3ccccc32)N1 587770328 PUZMBULFOQMFCU-SMDDNHRTSA-N 405.267 3.589 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCN1C(=O)C=CC1=O 587860074 ORYHJTAKKJCYTL-UHFFFAOYSA-N 422.268 3.601 0 1 HHAF COC(=O)c1cc(OC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OC 587946532 WCEBNGSCZDICQJ-UHFFFAOYSA-N 419.434 3.502 0 1 HHAF Nc1c([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc(Cl)nc1Cl 962661811 IDFNOTGAFNTAIK-OXJNMPFZSA-N 417.296 3.707 0 1 HHAF CCc1ccc([C@]2(c3ncccc3C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963468675 ICVDRMVJDNFMGJ-CPJSRVTESA-N 402.494 3.857 0 1 HHAF C[C@]12CC[C@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@]3(CCC(=O)O3)[C@@H]12 2356306112 DNRQDQGLQOWBRA-OJUAHPIASA-N 401.547 3.584 0 1 HHAF COc1cc(C(=O)O[C@@H]2CC[C@@](C)(O)CCCC(C)(C)[C@H](O)C=C2C)ccc1O 2356677238 LIYLUZKKDZZNBL-XQFWAAQXSA-N 406.519 3.975 0 1 HHAF COC(=O)CCC1=CN2C[C@@H]3COC=C(C(=O)OC)[C@@H]3C[C@@H]2c2[nH]c3ccccc3c21 2356806367 AGFNFYSXFSTALX-WRWLIDTKSA-N 422.481 3.542 0 1 HHAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@@H](C)[C@H](O)CC(=O)O)C(=O)OC2 2356852576 QRDKDYUDGPKLKF-CXAGYDPISA-N 406.475 3.510 0 1 HHAF CC[C@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccco1 4965219 XMTPQFVIDNVFEX-SCLBCKFNSA-N 416.478 3.569 0 3 HHAF Cc1nonc1[C@H]1CCCN1C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 12203863 LHFOOZNQTXOQJC-MRXNPFEDSA-N 422.363 3.941 0 3 HHAF Fc1ccc(Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCSCC2)cc1 57613912 KYVNPVGYDQKHBU-SFHVURJKSA-N 403.914 3.652 0 3 HHAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cn1 61904908 FBVUPVUUBQXHQI-QHCPKHFHSA-N 404.470 3.551 0 3 HHAF COc1ccc(-c2oc3c(OC)c(OC)cc(OC)c3c(=O)c2OC)cc1OC 6018678 XBZIUXVIWRAJKB-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF endogenous,in-man Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 7997302 WIYUZYBFCWCCQJ-JTMVAAEOSA-N 414.505 3.573 0 1 HHAF C[C@H](O)[C@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1 33821304 SMFRBBHLVBWHGB-DJJJIMSYSA-N 424.888 3.998 0 1 HHAF in-vivo COC(=O)CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 38841183 XSJRZLZLXXYZDQ-ZDUSSCGKSA-N 401.290 3.656 0 1 HHAF CN1CCN(C(=O)c2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1 40422386 VIDDWUVOLJHDFK-UHFFFAOYSA-N 421.501 3.652 0 1 HHAF O=C1CCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 40862104 MDEMTDLEXDETKM-UHFFFAOYSA-N 419.416 3.632 0 1 HHAF Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)cc1 40937412 UFYVEVJRARPOFI-UHFFFAOYSA-N 415.541 3.833 0 1 HHAF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCC(=O)NO)cc3)cc12)c1ccccc1 43195189 RRWPCUPACFSZEW-CQSZACIVSA-N 403.442 3.682 0 1 HHAF CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@@H](c2c[nH]c3ccccc23)C1=O 49864946 VNOOXNILBJFIMU-CPJSRVTESA-N 418.493 3.664 0 1 HHAF CC(C)(C)OC(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72102363 ULEQEOZRFMIWNW-IBGZPJMESA-N 404.461 3.833 0 1 HHAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]c(=O)oc2c1 72180734 IJQDLQCGKPLTAY-SFHVURJKSA-N 420.296 3.899 0 1 HHAF COc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)cn1 95565727 IGMXBSUCGLWKEV-UHFFFAOYSA-N 402.857 3.544 0 1 HHAF CCN(CC)CCNC(=O)c1cc2c([125I])cccc2s1 101669057 BPRHDCZOUZAGMK-RFLHHMENSA-N 400.302 3.578 0 1 HHAF Cc1ccc(-n2nc(-c3ccncc3)cc2NC(=O)c2cnn3cccnc23)cc1F 145866574 ASBGAZNZHDFMLW-UHFFFAOYSA-N 413.416 3.677 0 1 HHAF CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 261184056 WVXVTVISFJYJCL-QAQDUYKDSA-N 401.486 3.795 0 1 HHAF O=C1c2ccccc2C(=O)N1CCCCCNC1CCN(Cc2ccccc2)CC1 299856419 BVBATGDGRBZJSH-UHFFFAOYSA-N 405.542 3.707 0 1 HHAF CC(=O)c1c[nH]c2ccc(N3CCCC3)nc2c1=N[C@H]1CC[C@H](CN2CCCC2)CC1 473164968 IXXPMKUZHVTLBD-MXVIHJGJSA-N 421.589 3.921 0 1 HHAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(F)cnc(Br)c2[nH]1 587065398 PDZFHDLLZAUTBO-UHFFFAOYSA-N 414.618 3.913 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587232335 WXUPJNBVAIIZNF-NXEZZACHSA-N 416.266 3.640 0 1 HHAF COc1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346034 ARCPPMNGNDMYIP-NZQKXSOJSA-N 408.381 3.879 0 1 HHAF Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587513497 ARTQNXCDWYDVMG-RUZDIDTESA-N 415.493 3.714 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(C(F)(F)F)N1 587706798 RGVKHSCLVQNCOX-VFZGTOFNSA-N 404.205 3.913 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797043 VFZSOTNOWZEILP-YNKQFZHNSA-N 402.304 3.553 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587799847 ZDHWJXRGYMTJFX-GIGQVBGESA-N 405.267 3.717 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2COC(=O)C2)N1 587833316 FVNRLEGAUMDVTQ-URFZZILJSA-N 404.279 3.929 0 1 HHAF NC(=O)N1CCc2sccc2[C@]12c1cccc3c1N(CC3)C(=O)[C@@H]2c1ccccc1 962703652 DTGNTEQWCWKXQN-GBXCKJPGSA-N 415.518 3.615 0 1 HHAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962971173 HCTUHRYAKYIZDQ-YZIJFISFSA-N 415.864 3.802 0 1 HHAF O=C(C1CC1)N1CCc2nc(=NCc3cccc(Oc4ccccc4)c3)[nH]cc2C1 1857585100 MHWXJEARIKQIRI-UHFFFAOYSA-N 400.482 3.598 0 1 HHAF CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(O)ccc3s1)CCNC2 1857603235 VLHBHQVAHHRVBZ-UHFFFAOYSA-N 416.572 3.703 0 1 HHAF CCCO[C@@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)C(=CC=C4CCCC(C)(C)C4)[C@H]3[C@H]21 2356791827 IZZZOEMEYJMVAL-XHQZWYKSSA-N 420.502 3.626 0 1 HHAF CCn1c2c(n(C(C)=O)c1=O)C=C(C(=O)N1CCCC1)[C@H](C)C(c1ccccc1)=C2 199741972 YWVRLQQDCKHMBA-MRXNPFEDSA-N 405.498 3.526 0 3 HHAF CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N21 1656459 VBTVHUMUVXSSRB-BDTNDASRSA-N 412.493 3.595 0 1 HHAF COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 2487178 OSUUQNFLCUZVDZ-HXUWFJFHSA-N 402.535 3.800 0 1 HHAF O=C1CN(C(=O)COc2ccccc2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2724702 GBSHFIKSUIHRDA-QHCPKHFHSA-N 408.404 3.914 0 1 HHAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4078940 LLPZCLSGZMOUTQ-GGAORHGYSA-N 419.481 3.762 0 1 HHAF CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1COc2cccc(OC)c2C1 13737076 KZRCUUSRYFALEA-GOSISDBHSA-N 416.562 3.666 0 1 HHAF CCCc1nc(C)n2cnnc2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13737972 NMTALGQYYCNFGM-UHFFFAOYSA-N 410.485 3.823 0 1 HHAF COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 15944494 CZTADHFVPMNRLK-YSNYBDEQSA-N 418.559 3.848 0 1 HHAF Cc1ccc(CN2CCN([C@@H]3CCc4cccc5c4N(C3=O)C(C)(C)C5)CC2)cc1 22927136 OLGSDKVBQGETRV-HSZRJFAPSA-N 403.570 3.795 0 1 HHAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N21 26952649 MSJBTEJXCBLQIY-FSSWDIPSSA-N 401.510 3.750 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2cccs2)[C@H]1Oc1ccc(C(=O)O)cc1 27210577 KSZGODRREPXHOC-SFHVURJKSA-N 402.472 3.710 0 1 HHAF CCN(CC)CCC[C@@H](C)Nc1ccnc(COc2ccc(OC)cc2OC)n1 28477151 IBDMQBDDFJLCAT-QGZVFWFLSA-N 402.539 3.995 0 1 HHAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 28771276 DOTXYVBHXSIPBL-UHFFFAOYSA-N 424.598 3.916 0 1 HHAF Cc1nc2c3c(c(C(=O)N4CC(F)C4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 40934251 HPIDOASGBQYGCE-XMMPIXPASA-N 405.473 3.912 0 1 HHAF Cn1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(N4CCCC4)o2)CCC3)n1 45190215 HLBDLUOUKZCZBD-UHFFFAOYSA-N 419.529 3.814 0 1 HHAF CCCC[C@H](CC)C(=O)N1CCN([C@@H](CC)c2nc3ccccc3c(=O)n2C)CC1 45316275 ASFVPGNJHYYIMU-RXVVDRJESA-N 412.578 3.745 0 1 HHAF Nc1nc(N)c2c(n1)N(c1cccc(Cl)c1)c1cc(Cl)ccc1S2(=O)=O 45495693 VRIDYYHMXJBWAH-UHFFFAOYSA-N 408.270 3.564 0 1 HHAF F[C@H]1CNCC[C@H]1n1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1 71332018 XMUIHQBLEQJXIH-LEWJYISDSA-N 400.461 3.779 0 1 HHAF CC1(C)CN(C(=O)CN)Cc2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n21 84687542 RFJSULWCTIDPRW-UHFFFAOYSA-N 411.456 3.608 0 1 HHAF CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4cccnc4)cc3)n2)c(=O)c1=O 101595816 KKOLAOXXRFMPDD-UHFFFAOYSA-N 414.469 3.832 0 1 HHAF Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nnc2cncc(OCC(F)(F)F)n12 103303401 LZBDIFIBPJUBOJ-UHFFFAOYSA-N 406.343 3.674 0 1 HHAF CCCN(CC1CC1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)c(C(F)(F)F)c1 146205464 IWSRAXRHKDCARK-INIZCTEOSA-N 420.497 3.789 0 1 HHAF O=C(CCCN1CCC(n2c(=O)c(O)nc3ccccc32)CC1)c1ccc(F)cc1 169331980 WOOXNHSBKBFDJV-UHFFFAOYSA-N 409.461 3.541 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCNC4)n3)c(Cl)cn2)CC1 169703722 MDHNKWXSQVMZGA-YESZJQIVSA-N 415.969 3.924 0 1 HHAF NC1=N[C@](CF)(c2cc(Nc3ncccc3F)ccc2F)C[C@@H](C(F)(F)F)O1 223530033 GDUSNHCSCKNJDG-XJKSGUPXSA-N 404.314 3.934 0 1 HHAF O=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1 224182142 WWDACRPOTVYRSG-UHFFFAOYSA-N 424.444 3.974 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1OC 587122306 BMXBUPSNQFNMIY-CLAHSXSESA-N 409.368 3.529 0 1 HHAF Cn1nc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539615 FTCSTSXDYGEVBC-CRAIPNDOSA-N 401.216 3.591 0 1 HHAF CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570985 KHEZHLILHHNQSO-FFAXVFFXSA-N 411.454 3.511 0 1 HHAF C[C@H]1CN(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 587661620 SMXJHKWRSUUYCH-ZACQAIPSSA-N 423.488 3.588 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)cc2Br)N1 587681677 KFUHSTVNUGBHPZ-WPPNPWJKSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2N)N1 587682051 MIAFKONYTYNAIH-UOWDBTKRSA-N 415.104 3.952 0 1 HHAF CCOCCOCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587777880 DXEPRTQVFFQPPP-UHFFFAOYSA-N 409.895 3.570 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCCN(C)C 587860132 PIHPQXKAPQYROU-UHFFFAOYSA-N 401.363 3.930 0 1 HHAF COc1cc2c(cc1OC)CN(CCn1cc(COc3ccc(C)cc3C)nn1)CC2 653719101 MQRUGGZBBOSUGW-UHFFFAOYSA-N 422.529 3.549 0 1 HHAF CC(=CC=CC=CC=C[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)[C@@H]2C)[C@@H]1O[C@H](C)C=C[C@@]1(C)O 2356422553 PZGCPRNZYVNMNV-JMKBLBKLSA-N 412.526 3.853 0 1 HHAF COC(=O)[C@@]1(Cc2ccc(CC=C(C)C)c(O)c2)OC(=O)C(O)=C1c1ccc(O)cc1 2356759184 QOOYPQVHNJRXEX-DEOSSOPVSA-N 424.449 3.587 0 1 HHAF CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 30479693 AMTBNJVAWLKIRI-UHFFFAOYSA-N 401.507 3.508 0 3 HHAF CCNC(=O)[C@]1(C)CCCN(Cc2cccc3c(OC)cc(C(=O)OCC)cc23)C1 61908556 QKMPIJVTOYYYNQ-XMMPIXPASA-N 412.530 3.763 0 3 HHAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC 4207584 LURJCMCGLLCJBG-UYAOXDASSA-N 402.878 3.593 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)cc1Cl 9490066 UHMSREPIEKGVDP-RNWGTBAESA-N 422.868 3.912 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@@H]12 25233600 WPAHMEUHQURAGX-MANSERQUSA-N 422.403 3.579 0 1 HHAF biogenic CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 28712944 KBRBDQUPSTVBGF-ZSQFBXSQSA-N 420.553 3.875 0 1 HHAF Cc1cccc(CNc2nc(C)cc(NCCC(=O)NCCOc3ccccc3)n2)c1 45190405 BMSUKMSGINYASY-UHFFFAOYSA-N 419.529 3.703 0 1 HHAF Cc1cnc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1 49045347 UWWQNYRFLKCMOR-UHFFFAOYSA-N 422.229 3.864 0 1 HHAF Cc1ccc(-c2c(CC(=O)N3CCC[C@@H]3C(=O)O)c(C)nc(CC(C)C)c2CN)cc1 66166531 FTRFDTDLVOEFEU-JOCHJYFZSA-N 423.557 3.641 0 1 HHAF C[C@@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72177809 UVVHDKAZCOOGPE-YOEHRIQHSA-N 410.264 3.729 0 1 HHAF CCS[C@@]12C[C@H]3c4cccc5c4[C@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O 102982438 PSORSYJKNJMUHN-WYWCTVAXSA-N 420.534 3.956 0 1 HHAF COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1OCc1cccnc1 115597481 GKTLXKCDINTLMM-TUWNDGEPSA-N 401.466 3.923 0 1 HHAF O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1 117293166 XZGLIIHTAGHLBZ-KOUNCHBCSA-N 400.563 3.504 0 1 HHAF N#Cc1nc(C(=O)NCCCCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 146701634 RSKFOCLJBCRDEJ-UHFFFAOYSA-N 405.410 3.589 0 1 HHAF O=C(c1ccccc1)[C@H]1CN(CCCN2CCCCC2)CC[C@@]1(O)c1ccccc1 169318089 HJMGHMRVGGXVHM-AOYPEHQESA-N 406.570 3.955 0 1 HHAF Cc1nc2cc(N[C@@H]3CCCC[C@@H]3N)nc(Nc3cccc4c(C)c[nH]c34)c2c(=O)[nH]1 169342730 PVBNHEXAZQJRCD-JKSUJKDBSA-N 417.517 3.842 0 1 HHAF COCCOc1ccc(-c2ccc(COc3ncccc3C(=O)N(C)C)nc2)c(C)c1 169348949 QTWAVYBCDPMESZ-UHFFFAOYSA-N 421.497 3.758 0 1 HHAF Cc1ccc(-c2noc(C3CC(C)(O)C3)n2)cc1NC(=O)c1cnc2ccccn12 206117899 VBSCTWFMHAWPSW-UHFFFAOYSA-N 403.442 3.573 0 1 HHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F 220747581 JWEADFUAWHVJEJ-YVEFUNNKSA-N 406.885 3.507 0 1 HHAF Cc1c(Br)cnc2[nH]c(C(F)(Br)Br)nc12 587089207 ZVHUXWOVYAYIQL-UHFFFAOYSA-N 401.859 3.898 0 1 HHAF C[C@@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587124291 MODCFFDMBUWFLQ-RFAUZJTJSA-N 416.400 3.740 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 587125883 HGTXXMVEIBVXAL-MUWHJKNJSA-N 401.190 3.891 0 1 HHAF CN[C@H](c1cccnc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587220354 AOBJLULSIUUAMM-GFCCVEGCSA-N 401.186 3.928 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345741 GKHIXYXOHGEAEX-REWPJTCUSA-N 405.381 3.746 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3cc(Br)ccc31)O2 587372601 PZUALTYHMOCOHV-LJQANCHMSA-N 416.227 3.561 0 1 HHAF COCC(=O)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587563552 UHHZUYVGOKJLMO-UHFFFAOYSA-N 409.339 3.731 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N)c(Br)c2)N1 587683740 WYZNLRZWAORAJH-WJWGPLDTSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587744248 GPWMSLBFMZMIDB-DGIBIBHMSA-N 405.315 3.711 0 1 HHAF CCOC(=O)[C@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767993 CDFHPDBYFKFUMR-BUXKBTBVSA-N 407.283 3.633 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2Cc3ccccc3C2=O)N1 587776703 YFQLZNXYUUZVSL-ODXCJYRJSA-N 403.295 3.994 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587859017 UXIHEEWMFUKQRO-SIMVJXQJSA-N 402.329 3.634 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCN1Cc1ccccc1 587869288 FTWGNXUYXCAJLF-QGZVFWFLSA-N 416.403 3.887 0 1 HHAF O=c1c2sccc2nc(-n2nc3cc2Oc2ccc(F)cc2-3)n1CCN1CCCC1 587876675 TWYOXCRHBIQQCQ-UHFFFAOYSA-N 423.473 3.651 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cnc(C(=O)OCC)c(C(=O)OC)c1 963232516 SSLLOPPHSPVAFW-VOIUYBSRSA-N 410.514 3.965 0 1 HHAF O=C(C[C@]1(c2ccc(OC(F)F)cc2)NCCc2ccc(O)cc21)C(F)(F)F 963328171 DAUCLCCOBWDNRO-GOSISDBHSA-N 401.331 3.904 0 1 HHAF COc1ccc(F)cc1[C@@H](C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N 1857564568 KWESEOYSTBXZIE-CQSZACIVSA-N 411.481 3.740 0 1 HHAF O=c1cc(OCCCN2CCN(c3nccc4ccccc34)CC2)c2ccccc2o1 1857576736 GXECUHTVFHYCHG-UHFFFAOYSA-N 415.493 3.932 0 1 HHAF CNC(=O)c1cc(Oc2ccc(C3=NN[C@H](c4ccc(OC)cc4)C3)cc2)ccn1 1857754406 AWMXNRTWEPBRNZ-FQEVSTJZSA-N 402.454 3.681 0 1 HHAF CN(Cc1ccccc1)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 2356286381 PBPOKPBNPIAWHR-QZNHQXDQSA-N 408.615 3.815 0 1 HHAF CC=C(C)C(=O)O[C@@H](COc1c2ccoc2c(OC)c2oc(=O)ccc12)C(C)(C)O 2356422754 VTMREZQNDKWTII-HNNXBMFYSA-N 416.426 3.576 0 1 HHAF O=C(NCc1ccccc1)c1ccc2c(c1)S(=O)(=O)c1cc(Cl)ccc1C2=O 36389419 SITZTIUVMZSCJO-UHFFFAOYSA-N 411.866 3.647 0 3 HHAF CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1 3022687 LTLSKIFQDPIGSC-GOSISDBHSA-N 420.506 3.659 0 1 HHAF COc1ccc([C@@H]2[C@@H]([C@H](O)COc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 3813811 UCGNNLNIOWDECE-DNVJHFABSA-N 407.441 3.978 0 1 HHAF CCOC(=O)c1c(-c2ccc(C)cc2)c(-c2ccncc2)c(N2CCNCC2)n1C 3942872 HBRIJLMLCCBQLO-UHFFFAOYSA-N 404.514 3.649 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4055050 MJASJQRYELTCNX-ZKYUUJBMSA-N 415.921 3.507 0 1 HHAF O=C(O)CCC[C@]1(c2ccccc2)CC(=O)[C@H](SCCc2ccccc2)C(=O)O1 13766511 JMWCVJVFWQMHJX-JTHBVZDNSA-N 412.507 3.997 0 1 HHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C=N/OCCO)CC[C@]12O 13808996 LNJMUWGLJIPYAT-ODXQLQIVSA-N 405.579 3.672 0 1 HHAF COc1ccc(C2=NN(c3nc4ccccc4c(=O)n3C)[C@@H](c3ccco3)C2)cc1 40862495 RDFLQJHKCILDSM-HXUWFJFHSA-N 400.438 3.891 0 1 HHAF Cc1cc(N(CCO)CCCN2CCCCC2)nc(Nc2ccc(Cl)cc2)n1 45227307 XDVXBDZKXFITTH-UHFFFAOYSA-N 403.958 3.857 0 1 HHAF COc1ccc2c(c1)C[C@H](c1nc3c(OC)cc(-c4cn[nH]c4)cc3c(=O)[nH]1)CC2 66074386 LGWIAPZIPKKEQA-CQSZACIVSA-N 402.454 3.603 0 1 HHAF c1ccc(Cc2cnc(N3CCN(Cc4ccccc4-c4cn[nH]c4)CC3)nc2)cc1 66076952 IRPXJDZQUXFKLZ-UHFFFAOYSA-N 410.525 3.780 0 1 HHAF O=S(=O)(NCCCCN1CC[C@H]2CCCC[C@@H]2C1)c1cccc2cccnc12 73168442 MGDLYQHKHDZOSQ-UYAOXDASSA-N 401.576 3.805 0 1 HHAF CC(C)(C)c1n[nH]c2c1[C@H](c1cccc[n+]1[O-])N(c1ccc(-c3ccon3)cc1)C2=O 96177066 IHUVVDYSRIKCEA-FQEVSTJZSA-N 415.453 3.745 0 1 HHAF CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1)C(=O)N(CC)CC 103623073 BGZKXFYKOMJIBD-MRXNPFEDSA-N 412.563 3.705 0 1 HHAF COCc1sc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c2c1C 138847941 YGRRTPIAWXVHNB-UHFFFAOYSA-N 400.485 3.517 0 1 HHAF CN(c1ncc(F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(C(F)(F)F)cc3n2C1 144569798 NGWIETWBUODSDI-ZDUSSCGKSA-N 422.382 3.668 0 1 HHAF O=C(NCCCCC1CCN(C(=O)c2ccccn2)CC1)N1Cc2ccccc2C1 166779949 PBKBEJBCUUGAHV-UHFFFAOYSA-N 406.530 3.830 0 1 HHAF CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc(Cl)cc1 169351915 HPFZCPCQHLYXNV-QGZVFWFLSA-N 409.829 3.533 0 1 HHAF CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(F)cc21 205164764 POUMWPFDKBAVDE-IBGZPJMESA-N 410.898 3.951 0 1 HHAF CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc[nH]c2=O)c1C)C1CCOCC1 207599260 BLMJHGTVAAFFQJ-UHFFFAOYSA-N 417.937 3.580 0 1 HHAF COc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1OC 586953963 UUGWRVKWKHUICE-UHFFFAOYSA-N 416.484 3.504 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979202 JOMQCPVWDMHGIN-UHFFFAOYSA-N 400.685 3.834 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CCC(=O)OCC)C(=O)OCC)CC2=O 587481365 LRKQKWFMMPDORR-ZHRRBRCNSA-N 406.475 3.591 0 1 HHAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585292 CYMCQYOLRBGCOY-ROKPMTFOSA-N 419.433 3.854 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2C1 587594101 LBJDDPZXVDGTOM-HJHHKTJYSA-N 423.465 3.835 0 1 HHAF COc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(OC)c1C 587787643 NDFPSRWTGVMTAP-UHFFFAOYSA-N 400.378 3.849 0 1 HHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587927693 SMSQFLITIHXSBM-MRXNPFEDSA-N 406.486 3.878 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H]4CCC(=O)[C@H]4C)[nH]c3c2)cc1 587963622 PJTZKYYZIDPJEO-UONOGXRCSA-N 413.499 3.530 0 1 HHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2cccc(Cl)c2)n2ccccc12 653718362 QWSPIPYLLATCEL-IBGZPJMESA-N 407.901 3.648 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@H](C)C2 962572334 JUVLMNMVPLYRBR-CPJLOUKISA-N 422.525 3.819 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963038673 ZRYBHISMKDRQJW-UUILUMHISA-N 418.537 3.799 0 1 HHAF O=N[C@@H]1Cc2ccccc2[C@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963177226 JNFHKJOLNWIGRG-JFIYKMOQSA-N 410.779 3.892 0 1 HHAF FC(F)(F)C(N[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)C(F)(F)F 1772613731 NSQNWECKSSSFNE-KYZUINATSA-N 406.334 3.715 0 1 HHAF NC(=O)c1c(-c2ccc(OC3CCCC3)cc2)nn2c1NCC[C@@H]2c1ccccc1N 1772628052 ACIRSFOTMBSIRX-HXUWFJFHSA-N 417.513 3.958 0 1 HHAF CN1C(=O)S/C(=C\c2cc(OCc3ccncc3)c(O)cc2Br)C1=O 1857584614 WTHKWCODZDGHTI-CHHVJCJISA-N 421.272 3.795 0 1 HHAF Cc1cccc(C(=O)NC2CCN(c3nccc(=Nc4ccccc4C)[nH]3)CC2)c1 1857752688 RVMFHRKWAZCAST-UHFFFAOYSA-N 401.514 3.658 0 1 HHAF Cc1nn(C)c(Cl)c1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1 12749714 VFJQXECSEBTRQG-UHFFFAOYSA-N 404.946 3.544 0 3 HHAF COc1ccc(N2C(=O)C(Nc3ccc4c(c3)OCO4)=C[C@@H]2c2cccnc2)cc1 211058730 CKBHXKAJHVFZQM-HXUWFJFHSA-N 401.422 3.903 0 3 HHAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)o1 1482442 LJGONHLWDITULH-IBGZPJMESA-N 423.494 3.751 0 1 HHAF COc1c(OC)c(OC)c(-c2cc(=O)c3c(OC)cccc3o2)c(OC)c1OC 1578332 IWROQMCMWYLJRD-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF biogenic CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc3c2OCO3)cc1 3814628 VKWOQTMDEIPCEF-UHFFFAOYSA-N 410.373 3.690 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051620 WSTWSBQHFWIKQQ-ONTIZHBOSA-N 406.507 3.560 0 1 HHAF O=S(=O)(O)c1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27181187 MVUAFKQOTLQRMZ-UGKGYDQZSA-O 420.466 3.832 0 1 HHAF CCCCc1ncc(/C=C(\Cc2cccs2)C(N)=O)n1Cc1ccc(C(N)=O)cc1 29546677 CJIPZAWRJQFPSB-LDADJPATSA-N 422.554 3.546 0 1 HHAF CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1 35932677 ZWMOAJRYSFSITR-UHFFFAOYSA-N 403.486 3.721 0 1 HHAF COc1cc([C@@H](c2oc(CO)cc(=O)c2O)c2c(C)[nH]c3ccccc23)ccc1O 64549595 SIBCJYCGIRWLEO-OAQYLSRUSA-N 407.422 3.522 0 1 HHAF CN1CCN(c2cc3ncc(=O)[nH]c3cc2Nc2nc(-c3ccccc3)cs2)CC1 72108480 IHIMNQJUVVIZQX-UHFFFAOYSA-N 418.526 3.542 0 1 HHAF CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 82204110 BONPHKRTPRIBMU-UFYCRDLUSA-N 410.566 3.512 0 1 HHAF NC(=O)c1cc(-c2cccc(Cl)c2)nc2c1[nH]c1ccc(CN3CCOCC3)cc12 113197555 ODGQNYFVDIEPRZ-UHFFFAOYSA-N 420.900 3.968 0 1 HHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(O[C@@H]4CCOC4)cc3)oc2c1 168625619 YGXNSORNXNCSOR-RDTXWAMCSA-N 405.454 3.913 0 1 HHAF COc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@H]4[C@H](C2)N(C)CC[C@]314 169290806 RBQKCFLDNBVADS-ZREFVFEESA-N 417.549 3.992 0 1 HHAF Cc1cc(C)c(CCC[PH](O)(O)CC(=O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 169728582 OAIGKLLXIHURPP-UHFFFAOYSA-N 422.433 3.959 0 1 HHAF CCCC(=O)O[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4O[C@@H](O)[C@]12[C@@H]43 238746637 VDGDSNQYFYXHGB-LBRQBAESSA-N 420.546 3.795 0 1 HHAF CO[C@@]1(C(C)C)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 238775195 CJTKUZUOJCPZPE-HNENZMAWSA-N 403.563 3.935 0 1 HHAF Cc1ccc2nc(CNC(=O)Nc3cc4[nH]nc(-c5ccnc(C)c5)c4cn3)cn2c1 261158139 QJFVLBPYVKWDRN-UHFFFAOYSA-N 412.457 3.606 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1)N1CCC1 586956183 YTFWGKGVWARARU-UHFFFAOYSA-N 416.812 3.692 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@H]2CCCC[C@@H]21 586962263 WEYFAWGGLBHXND-KCXAZCMYSA-N 417.922 3.652 0 1 HHAF CC[C@H](c1nc2ccc(C(C)=O)cc2[nH]1)n1cc(I)c(C)n1 587185778 XNWPHWQXFGJNTB-OAHLLOKOSA-N 408.243 3.874 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587229358 AIYPBTDQJZCVCA-RTBURBONSA-N 405.498 3.830 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=COc2ccc(Br)cc21 587374858 ZNDBVNJBCBSYBR-LJQANCHMSA-N 416.227 3.561 0 1 HHAF CCOC(=O)C[C@@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC 587524405 NWQCCFPDHQSWPZ-QMHKHESXSA-N 402.487 3.812 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(OC)n1 587587192 LQCPHZNLOUAWEH-XLIONFOSSA-N 409.394 3.516 0 1 HHAF Cc1c([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587706996 RWQXEOJQIQRGSH-ANRSDYALSA-N 406.221 3.970 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587744252 GPWMSLBFMZMIDB-GIGQVBGESA-N 405.315 3.711 0 1 HHAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-n1cnnc1 587752773 FUMSIKZVBZRPHQ-XTZNXHDOSA-N 404.287 3.533 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC 587771955 UTUGUHRSRXWHIG-ABKXIKBNSA-N 411.271 3.633 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC 587771958 UTUGUHRSRXWHIG-FVMDXXJSSA-N 411.271 3.633 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)NC(=O)CO3)N1 587792306 HVJXNEMJAMQISQ-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF COC(=O)c1ccc(C=O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587809117 QLBMOVDQXQEGHG-YPMLDQLKSA-N 406.251 3.811 0 1 HHAF COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)c1 587867428 DXPQNEQNPBSVFT-UHFFFAOYSA-N 407.348 3.678 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(Cl)ncnc3Cl)N12 962672185 SQZGTWRWHIQOPU-LIRRHRJNSA-N 403.269 3.520 0 1 HHAF Cc1sc([C@H]2CCCN2C(=O)CN(C)C)cc1C(=O)Nc1ncc(Cl)s1 1857537359 NVNLIFCEZYTQPS-GFCCVEGCSA-N 412.968 3.644 0 1 HHAF CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)O)cc2)cc1 1857618597 FXNSAILOHYPYRO-UHFFFAOYSA-N 420.421 3.601 0 1 HHAF CCC[C@@H]1c2c(CO)c[nH]c2C=C[C@@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356361913 BESMSBQFWIBHRJ-OALUTQOASA-N 411.498 3.909 0 1 HHAF CC(C)COc1ccc(COC[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 4177313 VUIPZNXKQCQODT-FCMAGTKHSA-N 422.518 3.635 0 1 HHAF CCCNC(=O)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)OCC)c2)C[C@@H]1CC 25430044 UXTIDJUKPYZWBN-DLBZAZTESA-N 403.523 3.660 0 1 HHAF biogenic Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1C[C@H](O)[C@H](O)C1 26271730 JHZHLPIBCPQAJX-DFVIVQSZSA-N 402.454 3.530 0 1 HHAF CNC(=O)C(C)(C)COc1ccc2cc([C@@H]([C@@H](C)N(C)C)n3ccnc3)ccc2c1 28137078 LEDOEMLBTIQWQV-VGOFRKELSA-N 408.546 3.727 0 1 HHAF O=C(Nc1cccc2c1C[C@@H](O)[C@@H](N1CCC(c3ccccc3)CC1)C2)C(F)(F)F 28234203 VQKOGRBVBGYRKT-LEWJYISDSA-N 418.459 3.895 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 29413253 SZDSCLOAPYDVBU-SAQAZTFZSA-N 402.579 3.513 0 1 HHAF O=C(NC1CCc2ccccc2CC1)N1CCC(c2nc(-c3ccccn3)no2)CC1 43119893 HRXSTBZYYQOBSY-UHFFFAOYSA-N 417.513 3.968 0 1 HHAF Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OCCCN2CCC[C@H]2C)cc1 73295406 ZROXYPDPKXBHHW-GOSISDBHSA-N 404.514 3.856 0 1 HHAF CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccco1 82143107 MMQYCLCXWWCFEE-UHFFFAOYSA-N 424.501 3.525 0 1 HHAF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NC(=O)c4ccccc4)c3F)cc12 95579377 AEJBPCJCJUOOQQ-UHFFFAOYSA-N 423.379 3.749 0 1 HHAF O=c1nc(-c2ccccc2)c2oc3ccc(Cl)cc3c2n1CCN1CCOCC1 96909995 HIPBATAQNKNEFU-UHFFFAOYSA-N 409.873 3.795 0 1 HHAF CCOc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 96922281 RUCFTEQFGINFOJ-ZWKOTPCHSA-N 400.471 3.686 0 1 HHAF O=C(O)[C@@H]1[C@@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)[C@H]2CC[C@@H]1C2 142132449 FOVHQWZLPKBKAD-IOWHJBRQSA-N 401.829 3.724 0 1 HHAF Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C(F)(F)F)c4)ccc23)cn1 221616085 LKJDRQPXFLQWCO-UHFFFAOYSA-N 411.387 3.739 0 1 HHAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(C2(C)CC2)cc1F 221676400 MGAMZOLBMBPWEM-XWCIJXRUSA-N 418.444 3.685 0 1 HHAF O=C(O)C[C@@H](NC(=O)c1cc(Sc2ncccn2)ccn1)c1ccccc1Cl 261170152 SUXFYWFMZCGVSH-OAHLLOKOSA-N 414.874 3.622 0 1 HHAF O=C1CCc2cc3nc(CSc4nnc(-c5ccc6c(c5)OCO6)o4)[nH]c3cc2N1 586969036 GABQPQPMXXSRAV-UHFFFAOYSA-N 421.438 3.519 0 1 HHAF O=c1c(-c2nc3cc(CO)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006656 PTCVIJLLDYMDFQ-UHFFFAOYSA-N 410.271 3.695 0 1 HHAF NS(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587094845 JMDNQSFJFHIANW-UHFFFAOYSA-N 409.311 3.915 0 1 HHAF COc1ccc(NC(C)(C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587201556 RZOHPXCIEUHWAG-UHFFFAOYSA-N 404.474 3.978 0 1 HHAF COc1nccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587230166 AJCHMXRXFBJMEV-UHFFFAOYSA-N 403.442 3.856 0 1 HHAF C[C@@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567773 CCIIPSRRRNUJFI-QPPBQGQZSA-N 421.424 3.958 0 1 HHAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccccc1Cl 587648563 BIRDYVDAEOIWSZ-UHFFFAOYSA-N 405.859 3.633 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-n2cnnc2)cc1 587657062 RSSZPABJYJIOFB-UHFFFAOYSA-N 401.376 3.912 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncncc2Br)N1 587675911 BIRAIIVARRUTMH-AYVTZFPOSA-N 415.104 3.938 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 587762179 XKGGPNDJXLDCOO-HXPMCKFVSA-N 401.283 3.967 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 587799416 WVFJSYMCYOREDU-QTPGKHNVSA-N 417.322 3.839 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587833903 IIQHAMJAKPYEJN-HUTHGQBESA-N 422.250 3.777 0 1 HHAF CN1C(=O)C[C@H]2CN[C@@H](c3cc(CNC(=O)OC(C)(C)C)cs3)c3cccc1c32 963023641 KHYJGLAGTIWNOX-VBKZILBWSA-N 413.543 3.916 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc4c(Br)ccc(O)c4n3)c3cccc1c32 963027432 NYRYOMRNYQDMMR-GIPWTMENSA-N 424.298 3.846 0 1 HHAF COc1cccc2cc3c(nc12)[C@@H](c1c(C)nn(C)c1Oc1cccnc1)NCC3 963058176 QJTUFHZKPZVSPG-JOCHJYFZSA-N 401.470 3.708 0 1 HHAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189448 WQVYCZONDFSAOG-DIFFPNOSSA-N 407.816 3.762 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c[nH]cc(I)c1=N 963230733 ADFMDTJHIVVEBH-SGTLLEGYSA-N 407.299 3.845 0 1 HHAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(F)c4ccccc34)c3c(N)ncnc32)C1 1772602580 NITAZCPUWJICHO-CQSZACIVSA-N 416.460 3.717 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(Cl)cn3)c2)c2cnccc21 1772611185 HZOXKDKVPIHHQJ-UHFFFAOYSA-N 422.876 3.732 0 1 HHAF COC(=O)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 1857537834 GECPWDSMOSEZFU-INIZCTEOSA-N 410.451 3.502 0 1 HHAF CCn1c([C@](O)(c2ccccc2F)c2ncccc2F)nc2ccc(CCCO)cc21 1857606615 YKAOZIQXWTWXPJ-DEOSSOPVSA-N 423.463 3.939 0 1 HHAF COCCOc1ccc2c(c1)O[C@H](COc1ccc(CCC(=O)O)c(F)c1)CC2 1857773787 WQSFORLFVYVCSQ-IBGZPJMESA-N 404.434 3.641 0 1 HHAF Cc1cc(C)c(CO[P@](=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 1548204 VWYACSYWUFCXMS-INIZCTEOSA-N 410.378 3.956 0 1 HHAF CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1 4238642 DCPUJHKZZWNNNR-UHFFFAOYSA-N 407.861 3.937 0 1 HHAF O=C(Cc1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1)NC[C@@H]1CCCO1 6900987 ZQEMMMDCMVWTLU-NRFANRHFSA-N 412.493 3.925 0 1 HHAF CSCC[C@@H](C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O 12318421 DGRZESHMUBNKJP-WIRVKHDMSA-N 414.571 3.832 0 1 HHAF CCS(=O)(=O)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 27182658 LHMZQSRTRFVDLD-UHFFFAOYSA-N 404.495 3.900 0 1 HHAF C[C@@H](SCCCCCCCCO)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29244666 NAZDVMABMVBLLC-OXQOHEQNSA-N 413.534 3.899 0 1 HHAF O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2c(c1)OCO2 34842880 NQTSCOAKLNPSFQ-UHFFFAOYSA-N 421.858 3.668 0 1 HHAF O=C(CN1Cc2ccccc2O[C@H](c2ccsc2)C1)NCc1ccc2c(c1)OCO2 39353630 CFGLUJIAKVCUDH-QFIPXVFZSA-N 422.506 3.729 0 1 HHAF CCc1cccc(CC)c1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49088962 QTFUOFFNOYRSMR-UHFFFAOYSA-N 419.573 3.834 0 1 HHAF c1ccc(-c2nc([C@@H](NCCCn3ccnc3)C3CC3)oc2N2CCOCC2)cc1 72186096 PGSGXKMUPHJASX-FQEVSTJZSA-N 407.518 3.506 0 1 HHAF O[C@@H](c1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1CN1CCOCC1 82078462 UYJUTQAFBVENSO-GOSISDBHSA-N 416.934 3.849 0 1 HHAF CCCOc1c2c(cc3oc(CO)c(CCC(C)C)c(=O)c13)O[C@H](C(C)(C)O)C2 85594501 QCZJHIDPEAKRRF-IBGZPJMESA-N 404.503 3.737 0 1 HHAF biogenic,in-vitro COc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3C)C2)ccc1-n1cnc(C)c1 103225490 ZVAARPORUXUYCT-JOCHJYFZSA-N 418.541 3.892 0 1 HHAF C[C@H]1CC[C@@H](Oc2ccnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1 118558679 ZWHNRJHYNBPVBD-ZWKOTPCHSA-N 413.481 3.888 0 1 HHAF CC(C)(CF)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 169281446 IXJWJBUYPZPUQB-QGZVFWFLSA-N 417.435 3.827 0 1 HHAF CCOC(=O)[C@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@H]1c1cc(C)ccc1C 169687459 SYTUNNRYKZTPDR-SFTDATJTSA-N 404.470 3.738 0 1 HHAF C[C@@H]1CCCC[C@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 207148863 XEGAKSMBTFYKAD-ZBFHGGJFSA-N 424.538 3.589 0 1 HHAF CCCCCCNC(=O)n1cc(C)c(C(=O)Nc2cccc3c2OC(F)(F)O3)n1 473088666 PGBHZIKDTIZWGA-UHFFFAOYSA-N 408.405 3.903 0 1 HHAF CSc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 473135962 LXUDPVGIXLQHPN-GOSISDBHSA-N 423.567 3.688 0 1 HHAF COc1cc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)ccn1 586988419 RAZFYFXQGJAZJX-UHFFFAOYSA-N 412.401 3.850 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc12 587039667 ZVQUROXKWATIHR-NSHDSACASA-N 423.477 3.635 0 1 HHAF COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 587238551 DHBZCQPNFRWJDB-RWCMSOCESA-N 402.495 3.522 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O 587422884 GHOAGFNTTJHQAR-WZEWUOQTSA-N 423.456 3.950 0 1 HHAF COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423509 URANCCWCFLAZHQ-JLTOFOAXSA-N 424.840 3.810 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CN3CCOCC3)c1)CC2=O 587473906 CUGFYBYCNJDRLL-QHCPKHFHSA-N 411.498 3.892 0 1 HHAF CC(C)(C)C(=O)N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576860 INIXMOWQMMHAFD-UGKGYDQZSA-N 418.449 3.897 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCc1cccnc1 587658383 ODQSITNOLKAZHU-UHFFFAOYSA-N 408.433 3.660 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCC(=O)O)c2)N1 587791836 IQAAOQWPNVTUSG-JEOXALJRSA-N 408.267 3.849 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N1CCCc3cccc2c31 587791952 NHNNCHFWWAHILJ-GIPWTMENSA-N 401.279 3.659 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826193 DDRISNDBKVMGAN-WLRWDXFRSA-N 424.266 3.747 0 1 HHAF Cc1ccc(CN2CCN(CC(=O)n3nc4cc3Oc3ccc(F)cc3-4)CC2)cc1 587876624 URAKIKSXTJCRQN-UHFFFAOYSA-N 406.461 3.561 0 1 HHAF CC(C)CNCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653727839 RMECZRFXTLRPHG-OAQYLSRUSA-N 403.482 3.716 0 1 HHAF COc1ccc([C@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)cc1 653847527 PQHUPTXBHFKEAW-QFIPXVFZSA-N 423.513 3.878 0 1 HHAF CC1(C)NC(=O)c2ccc(-n3c(O)nc4ncccc43)cc2N1CCc1ccccc1 653850974 HBYMQMHLHBGLQB-UHFFFAOYSA-N 413.481 3.655 0 1 HHAF COc1ccc(OCC(=O)NC2CCCC2)c([C@H]2NCCc3cc(C)c(F)cc32)c1 962090929 JPOCNQGALAEQAL-DEOSSOPVSA-N 412.505 3.815 0 1 HHAF C[C@@H]1CC(NNc2ccccc2)=C[C@]2(C1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963227447 PZUAMNCPTLIVMT-OYMMJLNRSA-N 414.509 3.960 0 1 HHAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cn3cc(Cl)cn3)c2)c2cnccc21 1772603667 HLMUZIWQKXHSQO-UHFFFAOYSA-N 422.876 3.732 0 1 HHAF COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2ccc(C)cc2)C=C1C 2356305024 KIOQTQPPHSVWFE-BDTNDASRSA-N 400.563 3.732 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@H](CO)[C@@]2(C)CC[C@@H](C)CCO 2356459078 WWZZSZPMEOPTGE-YUFICSJLSA-N 424.578 3.943 0 1 HHAF CC(=O)O[C@H]1[C@@H](C)C[C@@H]2[C@H]3[C@H]1[C@H]1C=C(C)[C@H](OC(C)=O)CC[C@](C)(OC[C@@H]2C)[C@H]3O1 2356825236 HQXPXVYAHKHRLK-BJMPZGFCSA-N 420.546 3.671 0 1 HHAF Cc1ccccc1C(=O)c1cccn1CC(=O)NCCCN1CCc2ccccc2C1 5143235 VGPXRFXMBOMBDW-UHFFFAOYSA-N 415.537 3.592 0 3 HHAF CCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(CC)CC)=C1C 61921479 HTSWZBCJKKGHOH-FQEVSTJZSA-N 419.610 3.864 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 95599763 FUQFZCCVRSCYKG-IBGZPJMESA-N 405.903 3.884 0 3 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)CC)c1 4055079 QXLZXGYEDCCVNH-QFUCXCTJSA-N 416.905 3.718 0 1 HHAF Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1 13560495 OIKCREAGTIJWOO-UHFFFAOYSA-N 403.446 3.520 0 1 HHAF COc1cccc(-c2noc(NCCCN3CCN(c4ccc(F)cc4)CC3)n2)c1 15770848 RCIPSGRSLWBUED-UHFFFAOYSA-N 411.481 3.509 0 1 HHAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NCCCN1CCc2ccccc2C1 20465581 UELKCCZDWKHZSP-UHFFFAOYSA-N 409.555 3.506 0 1 HHAF CC(C)[C@H](CO)Nc1nc(Nc2ccc(N)c(Cl)c2)c2ncn(C(C)C)c2n1 26397812 AIKLCVAETRXWOB-HNNXBMFYSA-N 403.918 3.815 0 1 HHAF CC(C)C(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cncc(Cl)c3)cc2c1 27411682 ZIJVSBVQVJUZJK-UHFFFAOYSA-N 401.802 3.760 0 1 HHAF O=C(O)Cc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1 64513583 ZUXATZWCZZQQTG-UHFFFAOYSA-N 411.845 3.821 0 1 HHAF Cc1cccc(-c2nnc(-c3cn(C4CCN(C(=O)c5ccccc5)CC4)nn3)o2)c1 66111534 IXNSEBVZQPCNIK-UHFFFAOYSA-N 414.469 3.781 0 1 HHAF O=C(CSc1nc(CN2CCCc3ccccc32)cc(=O)[nH]1)c1ccc(F)cc1 72176296 WGDRIPQBVMJLFW-UHFFFAOYSA-N 409.486 3.837 0 1 HHAF N[C@H]1CCc2ccc(CNS(=O)(=O)c3ccccc3)cc2[C@H]1Cc1ccccc1 88260824 IDSHSZLDIFDQLI-RPWUZVMVSA-N 406.551 3.765 0 1 HHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1ccccn1 95565460 BCLKPPLHWOAGKI-OAHLLOKOSA-N 411.811 3.561 0 1 HHAF CCN1CC2=C(NC(=S)N[C@H]2c2ccccc2OC)/C(=C/c2ccccc2OC)C1 96282928 MXMHHGBTBKYBAD-ILAWTMEDSA-N 421.566 3.896 0 1 HHAF O=C1C[C@H](N2CCN=C2C2=C(O)/C(=C/c3ccccc3)CC2)C(=O)N1c1ccccc1 101677023 OIMOZUCERHCROB-RHYRFBSLSA-N 413.477 3.722 0 1 HHAF Cc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl 142005163 BZNDFZAVUBXGOV-QGZVFWFLSA-N 414.937 3.617 0 1 HHAF Cc1cccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)c1 142150090 VXRVLSRQRCRDCK-UHFFFAOYSA-N 407.470 3.841 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)o1 586922570 ALQVFRWXSRWBIS-UHFFFAOYSA-N 422.388 3.567 0 1 HHAF Cc1ccc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1C 586942236 UHNJYNRUSVKFKG-UHFFFAOYSA-N 408.527 3.877 0 1 HHAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 586985650 XQOGDMIIOJNEMF-INIZCTEOSA-N 416.275 3.517 0 1 HHAF O=C(CCc1nc2cccc(I)c2[nH]1)Nc1cccc(F)c1 587163240 OJCKJUNROVHMDY-UHFFFAOYSA-N 409.202 3.878 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(=O)O)ccc2[nH]1 587180631 IQIFZBBMLQAMEY-QMMMGPOBSA-N 410.215 3.700 0 1 HHAF O=C([C@H]1COc2ccccc2O1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661229 VAJLOQUFHZORCA-HXUWFJFHSA-N 402.381 3.683 0 1 HHAF CNC(=C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC 587744097 QQIZZHQRELIIJT-QKKBWIMNSA-N 418.354 3.955 0 1 HHAF COc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587788880 AHNNFEDQKSBAFB-GIGQVBGESA-N 424.266 3.684 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 587795671 RELOGCNELWWBCI-WYRIXSBYSA-N 408.267 3.849 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O 587797514 VTFVTJDOAFYDPX-GIGQVBGESA-N 424.266 3.684 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)s2)N1 587849779 NSCFQBXXDYFNHF-AYVTZFPOSA-N 404.326 3.677 0 1 HHAF CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1 653729302 GAFKJJDSRCPPQF-UHFFFAOYSA-N 401.440 3.832 0 1 HHAF CCCC[C@H](CC)CNC(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224151 IEXKWPGUHKHEQO-SWDVRCMSSA-N 411.546 3.772 0 1 HHAF COc1ccc(-c2ccc(Cn3c(C)nc4c(N5CCOCC5)ncnc43)cc2)cc1 1772602656 REKJIJAPMQSCJI-UHFFFAOYSA-N 415.497 3.695 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2cc(OCC(=O)O)cc3c2[nH]c2ccccc23)cc1 1857577971 KYOWETOOFUOXEH-UHFFFAOYSA-N 410.451 3.894 0 1 HHAF COc1ccccc1N1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@@H](CO)C=C2C)CC1 2356308833 CDFMKBMDNQNXAC-PWRODBHTSA-N 400.563 3.581 0 1 HHAF Cc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccncc1 4857843 FLHKIMKDQRFLJT-FQEVSTJZSA-N 421.526 3.688 0 3 HHAF COc1ccc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)c(OC)c1 205233952 WGUHKWHCZCJDHR-UHFFFAOYSA-N 423.469 3.712 0 3 HHAF COc1cccc(N2C(=O)CS(=O)(=O)[C@H]2c2cccc(Oc3ccccc3)c2)c1 1659504 OJQZFVQBYOKAAR-QFIPXVFZSA-N 409.463 3.948 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4050180 ZYIOCXHZWOAYOF-JKBKZWBZSA-N 416.880 3.991 0 1 HHAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4052619 CXKICOFMHQAMQI-PKOBYXMFSA-N 404.869 3.706 0 1 HHAF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)Nc1nnc(S)s1 6475185 AWAKNMKLVLWIIQ-OAHLLOKOSA-N 414.512 3.823 0 1 HHAF in-vivo Cc1cc(=O)n(CC(=O)N[C@@H](C)c2ccccc2)c2c1c(C)nn2-c1cccc(F)c1 6916343 SGHCFHHCVZLEEO-INIZCTEOSA-N 418.472 3.821 0 1 HHAF NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc3c(c2)OCO3)cc1 12352446 VKPMYIGLKDLTEV-UHFFFAOYSA-N 421.430 3.503 0 1 HHAF COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C 28647492 ORZPHDSNVICTTE-LBPRGKRZSA-N 406.276 3.630 0 1 HHAF in-vivo CN1CCN(CCCOc2ccc(-c3cccc(C=N)n3)cc2C(F)(F)F)CC1 58660402 BNDJQLLXZUKTHM-UHFFFAOYSA-N 406.452 3.781 0 1 HHAF in-vitro CCCN(CC1CC1)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066502 AOIANBLVECLBBY-IBGZPJMESA-N 413.522 3.890 0 1 HHAF COc1ccccc1CCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12 82127544 JNPDYZZTMGPABR-UHFFFAOYSA-N 408.502 3.910 0 1 HHAF COc1ccc([C@H]2C/C=C\C[C@H](c3ccccc3)NC(=O)CCC(=O)N2)c(OC)c1 95663983 ZALFAKAZXVHVCH-RWNOFTCYSA-N 408.498 3.849 0 1 HHAF O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95878382 QANHKTDAUKUZTL-NMNUPHIUSA-N 403.457 3.878 0 1 HHAF Cc1ccc(S(=O)(=O)Oc2ccc(C3=Nc4ccccc4C4=NCCN34)cc2)cc1 103188571 FAYNQFCNVYYYEP-UHFFFAOYSA-N 417.490 3.917 0 1 HHAF CC(C)Nc1nc(-c2ccc(C3CCN(C)CC3)c(F)c2)cc2ncn(C)c(=O)c12 115625374 QDOCRAIATAMOEM-UHFFFAOYSA-N 409.509 3.764 0 1 HHAF Cc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 115984755 YBYOVILHKRZTMP-WMLDXEAASA-N 421.480 3.707 0 1 HHAF CN1C(=O)[C@]2(N=C1N)c1cc(OCC3CC3)ccc1CC21CCc2ccccc2CC1 141726627 DFRHAFCAADHFNG-AREMUKBSSA-N 415.537 3.579 0 1 HHAF C[C@@H]1C(=O)NN=C2COc3cc(-c4ccccc4F)c([C@@H](C)C4(C)CN(C)C4)cc3N21 145604086 YKHPJEXISWUGDV-HUUCEWRRSA-N 422.504 3.579 0 1 HHAF COc1cccc([C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199424169 SXDLOMLBRQHGIA-LJQANCHMSA-N 404.514 3.859 0 1 HHAF CC1(C)[C@H]2CC[C@H](COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@@H]1C2 216198030 PFDGMDBCUUBXKJ-MDZLAQPJSA-N 403.903 3.620 0 1 HHAF COc1ccnc([C@@H](C)NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)c1 261072072 AGJCBIOZWPWLOW-CYBMUJFWSA-N 403.446 3.615 0 1 HHAF Cc1ncsc1CCc1nc2c(I)cnc(Cl)c2[nH]1 587028285 PFQWYGOVOOSOIW-UHFFFAOYSA-N 404.664 3.766 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3C[C@H](C(=O)O)CC3=O)c1)CC2=O 587474052 CKXHWPHOGDSXCO-JBEBIEQOSA-N 423.465 3.663 0 1 HHAF Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587613230 NIYAXISUZRUSOE-PXNSSMCTSA-N 421.434 3.968 0 1 HHAF O=C(Cn1cc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655829 RQSCIWCMJOJHOI-UHFFFAOYSA-N 400.772 3.532 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(=O)(=O)c2ccccc2)N1 587850372 POSQAVGJUVKLCK-XIKOKIGWSA-N 412.324 3.812 0 1 HHAF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c[nH]cc(Br)c2=O)s1 587941344 OAZYPJFCECSROQ-UHFFFAOYSA-N 407.289 3.982 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccc(O[C@@H]2CCOC2=O)c1 962376220 UYCBJFXBTIEUMM-IRLDBZIGSA-N 408.523 3.929 0 1 HHAF COCCOc1ccc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962731253 QVYQMEBGVNGSGO-DYESRHJHSA-N 423.431 3.630 0 1 HHAF C[C@@]1(CC(=O)Nc2cc(Cl)ccc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896309 JTIITUVCSBVSNI-LPHOPBHVSA-N 411.260 3.975 0 1 HHAF CC(C)c1nn(C)c2c1[C@](CC1OCCO1)(c1ccccc1C(F)(F)F)NCC2 962916653 CZEQYJSTDRTHBC-FQEVSTJZSA-N 409.452 3.715 0 1 HHAF CCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C 1857634304 UBKXKRWZQWWLEP-UHFFFAOYSA-N 408.911 3.603 0 1 HHAF CCCCC[C@H](O)C=CC=C(CCCC[C@H](CCC(=O)O)NCC)C[C@H](O)CO 2356371305 JCSCLTATSIYKRI-FSSWDIPSSA-N 413.599 3.557 0 1 HHAF CC1=C[C@H](CNC(=O)CC(C)(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 2356517815 VPTDWYWLLZTIDS-PWRODBHTSA-N 405.627 3.558 0 1 HHAF COc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1OC 205711028 UTFXOUSRJOKRCS-IUKKYPGJSA-N 416.518 3.644 0 3 HHAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NC[C@@H](O)CC 774033 WFTGRVAEWBJDLZ-INIZCTEOSA-N 410.470 3.917 0 1 HHAF COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)cc1 11788936 RQXDNAFXJVUSDW-MEQKGCOVSA-N 421.884 3.939 0 1 HHAF O=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 28712061 DYGFYDWVTAWNJD-UHFFFAOYSA-N 413.562 3.878 0 1 HHAF COc1cc(-c2nnc([S@@](=O)Cc3ccc(F)cc3)s2)cc(OC)c1OC 29123295 FCDCOLSRRDAYKL-HHHXNRCGSA-N 408.476 3.678 0 1 HHAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C[S@@](=O)CCOC(=O)c2ccccc2)C1 36271546 ZLQIMBGPLMNTJT-IWLXRJMOSA-N 419.974 3.981 0 1 HHAF Cc1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2C(=O)NCC2CC2)c1 82145880 OANURRIZSNDRKA-UHFFFAOYSA-N 416.481 3.933 0 1 HHAF COc1ccc(-n2cnc3c(sc4ncnc(Nc5cccnc5)c43)c2=O)cc1 95558410 UKYDOJGJKMRCNF-UHFFFAOYSA-N 402.439 3.538 0 1 HHAF COc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1OC 95558471 PYXULTSYCMSFDR-UHFFFAOYSA-N 400.797 3.786 0 1 HHAF NC(=O)c1cccc2c(NC[C@H](N)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12 114347480 XFBWNPAWMQWXRS-AWEZNQCLSA-N 409.799 3.513 0 1 HHAF Fc1cccc(-n2cnc3c(NCc4ccccc4F)nc(N4CCOCC4)nc32)c1 202060493 FIJMFYWTLJEQBB-UHFFFAOYSA-N 422.439 3.542 0 1 HHAF CC(=O)N1CCc2c(c(-c3ccc(C)cc3)nn2[C@@H]2c3cc(F)cc(F)c3C[C@H]2O)C1 206913959 UAWXPCYKRXVDGG-ISKFKSNPSA-N 423.463 3.548 0 1 HHAF O=C(O)c1cccc(-c2cc(Nc3cccc(N4C[C@H]5C[C@@H]5C4)n3)c3nccn3n2)c1 207354820 DZXKEQRVODUBFU-IAGOWNOFSA-N 412.453 3.689 0 1 HHAF CCN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)ncc1C 253907886 UFXZBRYRWRBNOI-IYBDPMFKSA-N 403.477 3.672 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 299883454 RJQYILQJIQRYRJ-JBKQDOAHSA-N 416.562 3.866 0 1 HHAF CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)OCc2ccccc2)cc1Cl 473160605 YOXYQRSJPPMEJG-UHFFFAOYSA-N 409.273 3.903 0 1 HHAF CCOC(=O)[C@H]1Cc2nc3cccc4c3c(c2[C@H]1C(=O)OCC)-c1ccccc1C4=O 587106182 IUDDIIPEOZFQTR-KKSFZXQISA-N 415.445 3.828 0 1 HHAF Sc1nc(S)c2nc(/C=C/c3cccc(I)c3)[nH]c2n1 587183761 IKLOZXGAKYGOHU-SNAWJCMRSA-N 412.281 3.705 0 1 HHAF COC(C)(OC)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341782 YLYVQXLCIRIZMW-FNZLVXQQSA-N 415.461 3.713 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417279 BFSAMOQRRYKELR-ZHRRBRCNSA-N 414.841 3.514 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Br)cc1)[C@@H](C2)C3=O 587418285 OIWUZAYFBLXMFJ-YWZLYKJASA-N 416.271 3.993 0 1 HHAF COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521123 AGKMIIJCNWLCTD-DEOSSOPVSA-N 409.482 3.503 0 1 HHAF O=C(O)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587596429 OOSCRWAONUXTCY-REWPJTCUSA-N 406.390 3.949 0 1 HHAF CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccn1 587623958 UUIAEGGOBQVLRV-UHFFFAOYSA-N 413.231 3.609 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2nccn2C)N1 587752138 BXVBTWBWKUVJHB-HXPMCKFVSA-N 401.283 3.543 0 1 HHAF CCOc1ccccc1-c1nc2ccccc2c(=O)n1-c1cccc(-c2nn[nH]n2)c1 653685373 ZWGBVLDYBFXBJL-UHFFFAOYSA-N 410.437 3.632 0 1 HHAF NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1 653825881 IZSJBHQHSUTYSV-UHFFFAOYSA-N 415.478 3.730 0 1 HHAF O=N[C@@H]1Cc2ccccc2[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963177234 JNFHKJOLNWIGRG-JZXOWHBKSA-N 410.779 3.892 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC12CNC2 1772618246 SOLBUNAAESKFKY-UHFFFAOYSA-N 414.387 3.629 0 1 HHAF COc1ccc(OC)c(Nc2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1 1857653276 NOCZBAPODZWEKE-UHFFFAOYSA-N 420.517 3.733 0 1 HHAF CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl 603025 OLEQDDGYTJTQBS-UHFFFAOYSA-N 412.298 3.892 0 1 HHAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4054967 MRAUPNNKOJSKPA-ICSRJNTNSA-N 401.894 3.627 0 1 HHAF CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NC[C@@H]4CCCO4)C3)c(C)o2)cc1 5056047 VORQPFSVWKYVRF-RTWAWAEBSA-N 411.546 3.720 0 1 HHAF COC(=O)c1c(C)c2c(c(C)c1O)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 13415534 ROQSFVIIHOMWHH-UHFFFAOYSA-N 406.774 3.600 0 1 HHAF biogenic C[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1)c1ccccc1 13794088 UNPAATNKWLYEKL-UXHICEINSA-N 414.557 3.964 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@H]2CC[C@@H](O)Cc2cccc(F)c2)cc1 13972140 CILMWGKYOULOMR-FGZHOGPDSA-N 413.489 3.831 0 1 HHAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncc(CN(C)C)c5)cc34)nc12 28950099 CQLOGIXSWIMBBT-UHFFFAOYSA-N 413.485 3.771 0 1 HHAF O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(O)ccc1O 40836693 ZYZGAFXSSCCMRB-UHFFFAOYSA-N 403.026 3.581 0 1 HHAF NCCCNC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 73141054 MFMFHXNGYOAPKY-UHFFFAOYSA-N 411.465 3.507 0 1 HHAF CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1OC1CCCCC1 84727616 UQHPZWHCIHHUSL-UHFFFAOYSA-N 401.551 3.962 0 1 HHAF CCOC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C 95596337 DSWDQJAIWAALIA-UHFFFAOYSA-N 409.490 3.621 0 1 HHAF CN(C)CCCOCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 101473167 GMSLEUOTXQYGMP-UHFFFAOYSA-N 421.419 3.510 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 169323705 SZDSCLOAPYDVBU-QQJPSWMQSA-N 402.579 3.513 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccnc3ccccc23)CC1 254143512 IUBWXBRLMGUCLM-PLOGPRMISA-N 417.509 3.763 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 586935418 HDKCHPHFMYTSHH-GFCCVEGCSA-N 414.915 3.523 0 1 HHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1cccc(Cl)c1 587071554 NZLKLTQIWXYPKX-NSHDSACASA-N 423.304 3.832 0 1 HHAF COC(=O)c1ccc2nc(-c3ccc(OC)cc3I)[nH]c2c1 587180078 KWNRVRDXBPCBNF-UHFFFAOYSA-N 408.195 3.630 0 1 HHAF CCOC(=O)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339510 QQFKIUAAFYHVEB-NZQKXSOJSA-N 407.397 3.744 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCN(CC)CC)c2ccccc21 587487685 NIWCWNBSZRSMDG-RUZDIDTESA-N 422.525 3.894 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1cccc(F)n1)CC2 587572262 USDMJIWXDNAHDK-HXUWFJFHSA-N 406.413 3.927 0 1 HHAF CCOC(=O)C[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616913 HFNSSYRMSNNEBU-UWJYYQICSA-N 411.435 3.659 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCCC3)nc2)N1 587764341 DMBISIJALURCRD-XIKOKIGWSA-N 405.315 3.992 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)F)cc1C 587869016 XKBAFFPVOWRRCL-UHFFFAOYSA-N 415.322 3.755 0 1 HHAF CC(C)N1CCC(Oc2ccc3c(c2)CCN([C@@H]2CCN(C4CCC4)C2)C3=O)CC1 653757811 FFIARPFFHWEEEO-OAQYLSRUSA-N 411.590 3.563 0 1 HHAF COc1ccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1Cn1cc(Cl)cn1 962926310 AWSQIVYDAZWEKT-QFIPXVFZSA-N 424.932 3.530 0 1 HHAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C(C)(C)C)c(=NC(C)(C)C)[nH]c34)[nH]c21 1857535783 NICUEZQIMBHMRX-GFCCVEGCSA-N 407.518 3.583 0 1 HHAF O=C(CCc1ccc(Cl)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857642341 UADGPOZSEXVLCO-UHFFFAOYSA-N 409.917 3.871 0 1 HHAF Cc1cncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)n1 1857751512 ZRWWXYPLGSDQJG-GOSISDBHSA-N 407.905 3.899 0 1 HHAF CCOC(=O)[C@@H]1Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccc(C)cc1 1911579417 ZCIUTPTWXFJKFX-FYYLOGMGSA-N 403.478 3.969 0 1 HHAF COC(=O)C=C(OC)[C@H](C)[C@H](C=Cc1csc(-c2csc(C(C)=O)n2)n1)OC 2356614704 FJJCCBLQMQQDDM-ABAIWWIYSA-N 422.528 3.837 0 1 HHAF Cc1nc(Cn2c3ccc(NC(=S)NC4CCCCC4)cc3c(=O)n2C)cs1 61904016 UJCKUWQZSWLEHO-UHFFFAOYSA-N 415.588 3.772 0 3 HHAF COc1cc2c(cc1OC)[C@H](C(=O)NCCC1=CCCCC1)[C@H]1CCCCN1C2=O 2456134 VCISTBPUZYKIGI-KNQAVFIVSA-N 412.530 3.802 0 1 HHAF COc1ccc(Cl)cc1-c1cccn([C@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O 13488466 ZXAORBJNVHWABO-DENIHFKCSA-N 424.928 3.833 0 1 HHAF CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1 14974287 FDKNVSUYRDPGNB-UHFFFAOYSA-N 410.478 3.796 0 1 HHAF CCN(CC)CCNC(=O)c1cc(Cl)ccc1NC(=O)COc1ccc(F)cc1 26015814 OLIGRVOZYMLBPA-UHFFFAOYSA-N 421.900 3.568 0 1 HHAF CC1(C)CN(S(=O)(=O)c2ccccc2)c2cc(F)cc(C3CCNCC3)c2O1 28948494 UAIWTSRLZSTZQH-UHFFFAOYSA-N 404.507 3.659 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@@H]21 33681170 QLJODMDSTUBWDW-FGKMIULNSA-N 422.562 3.716 0 1 HHAF O=S1(=O)[C@H]2C[C@H]3O[C@@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 34960994 DZSBJQYROJIKMG-ZRNYENFQSA-N 407.894 3.708 0 1 HHAF COc1ccc(Cl)c2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12 40848132 FAZJTQVDAJDGAY-UHFFFAOYSA-N 400.847 3.662 0 1 HHAF COC(=O)/C=C/c1ccc(C[C@H](C)NC[C@H](O)c2cccc(Br)c2)cc1 45201362 QQCCCVUOYPSEDK-QPRPNDIKSA-N 418.331 3.890 0 1 HHAF O=C(c1c(F)ccc(F)c1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 59282939 SBFCDBULVXOSTG-UHFFFAOYSA-N 403.187 3.900 0 1 HHAF O=c1cc(Cn2c(C3CC(F)(F)C3)nc3nccnc32)c2ccc(F)c(F)c2[nH]1 72108894 ACDZDYRBTXIKDM-UHFFFAOYSA-N 403.339 3.507 0 1 HHAF COc1c(C(C)=O)c(O)cc(O)c1-c1c(C)cc(O)c2c1Cc1cccc(O)c1C2=O 85990664 UGGPFDAKRGKKJS-UHFFFAOYSA-N 420.417 3.831 0 1 HHAF CC1(CNCc2ccc3c(c2)C[C@H](NC(=O)c2ccc(OCC4CC4)cn2)C3)CC1 96174235 JKGYIJWYIRACOM-OAQYLSRUSA-N 405.542 3.657 0 1 HHAF O=C(Nc1ccc(F)cc1)c1ccc(SCS(=O)(=O)c2ccccc2)nc1 145090298 WFDWXHQADQKZFY-UHFFFAOYSA-N 402.472 3.997 0 1 HHAF O=C(Nc1noc2ccccc12)N1C[C@@H]2C[C@@H]1CN2c1nc(-c2ccccc2)ns1 169295341 DRKWHSZFWNHTMH-CABCVRRESA-N 418.482 3.841 0 1 HHAF CN1CCN2c3c(cccc31)[C@@H]1CN(CCc3cc4c(cc3Cl)NC(=O)C4)CC[C@@H]12 169309784 OTDPJMWYRGSJQU-RXVVDRJESA-N 422.960 3.505 0 1 HHAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2cccc(N)c2)CC(=O)O1 169316876 NXGMKIMFJSFPEY-OYBHQIJRSA-N 405.560 3.539 0 1 HHAF NC(=O)c1cccnc1OCc1ncc(-c2ccc(OCCCF)cc2Cl)cn1 169348941 BFSFXZZMJMKWAH-UHFFFAOYSA-N 416.840 3.608 0 1 HHAF CC1=N[C@]2(C[C@@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N 169708655 IBGZXUPONLUVLS-RNRVQEDPSA-N 406.324 3.790 0 1 HHAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3ccc(F)cc3)ccc1-2 209710477 CEVGGJKJTXISSK-FQEVSTJZSA-N 422.456 3.742 0 1 HHAF C=CC(=O)NCCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(C)ccc21 210440876 YBQDDSRLNAKQRL-UHFFFAOYSA-N 416.403 3.918 0 1 HHAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccnc3[nH]2)C[C@@H](C)O1 586968592 AZGIQMRWFLOPNH-ZIAGYGMSSA-N 406.515 3.807 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)cnc4[nH]3)cc12 587039584 ZCCQKOBCKJQSQD-MRVPVSSYSA-N 408.409 3.724 0 1 HHAF CCCc1nc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)nn1-c1ccccc1F 587156680 QEDWOXTTYDQZBW-UHFFFAOYSA-N 408.481 3.843 0 1 HHAF COc1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587169783 KQDUJFHNPPJFTO-IBGZPJMESA-N 411.458 3.779 0 1 HHAF COc1cccc(-c2cc(CN3C(=O)COCC3=O)nc3c2oc2ccccc23)c1 587363868 PWGCDXDINOUQSQ-UHFFFAOYSA-N 402.406 3.542 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)CC2=O 587476349 BXASKEWCQSWDLB-SFHVURJKSA-N 400.427 3.994 0 1 HHAF C[C@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596292 QPLNYKZJRAKSTC-NZQKXSOJSA-N 406.390 3.733 0 1 HHAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-n1cnnc1 587757034 UEINKVLCWWMVPD-MGNBDDOMSA-N 404.287 3.533 0 1 HHAF Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587829594 RHWZEXVGROBXBN-ODXCJYRJSA-N 420.278 3.984 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977295 OQYUCTKHOLGWAC-MGPUTAFESA-N 409.816 3.642 0 1 HHAF CC(=O)OC[C@@]1(C(=O)O)[C@H]2CC[C@@]34C[C@@H]5[C@H](C[C@H]3[C@@]2(C)CC[C@H]1OC(C)=O)[C@]5(C)C4 2356408628 LHKQQWKOWNPPSN-DJLQYXTDSA-N 418.530 3.815 0 1 HHAF O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1CCc1ccccc1F 95566309 XZVOUQJNMLKVME-JOCHJYFZSA-N 413.456 3.648 0 3 HHAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCc2ccccc2Br)cc1 769529 KSHVOMGTKVLDCE-FQEVSTJZSA-N 416.319 3.572 0 1 HHAF COc1ccccc1[C@H]1CN2C(=O)CN(C(C)C)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21 2130319 AOGMOVWEFUNSGW-IQGLISFBSA-N 417.509 3.616 0 1 HHAF biogenic Cc1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1N1C(=O)c2ccc(Cl)cc2C1=O 3582980 CQTMVJNJTBELJP-HZPDHXFCSA-N 420.852 3.905 0 1 HHAF COCc1c(C(=O)NC2CCCCC2)cnn1-c1nccc(-c2ccccc2OC)n1 12024939 HCSGBMYJJGPVOP-UHFFFAOYSA-N 421.501 3.547 0 1 HHAF COC(=O)c1c(O)cccc1OC[C@H]1C[C@@H]1c1cccc(-c2cc(C(=O)O)no2)c1 14954250 XSCGTWVGLHSJGP-HUUCEWRRSA-N 409.394 3.715 0 1 HHAF O=C(CCCN1CCN(CC[C@H]2Cc3sccc3C2=O)CC1)c1ccc(F)cc1 22445857 AFYKQUVNHCGGNK-SFHVURJKSA-N 414.546 3.913 0 1 HHAF O=C(CCCN1CCN(C[C@@H]2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 22925178 LGAZBHZJAUYBTQ-QGZVFWFLSA-N 414.546 3.913 0 1 HHAF CN(C)CCCOc1cc(C(=O)Nc2ccc3[nH]ccc3c2)n(Cc2ccccc2)n1 26028762 VMYSRMZNVSZRRX-UHFFFAOYSA-N 417.513 3.996 0 1 HHAF CN1CCN(c2cc[nH]c3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 40566932 YEVWQKVDQWPJNY-UHFFFAOYSA-N 422.920 3.755 0 1 HHAF COc1cccc(-c2[nH]c3ccc(C)cc3c2C2=C(Br)C(=O)NC2=O)c1 40918031 SFHXFPBFWLTKKC-UHFFFAOYSA-N 411.255 3.914 0 1 HHAF C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 82211408 LAROZIKMXUSMDG-NSHDSACASA-N 421.284 3.557 0 1 HHAF O=C(NN1C(=O)CCS[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccncc1 84635738 IJYQEZZFKFQXIE-HSZRJFAPSA-N 419.506 3.970 0 1 HHAF COc1cc([C@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O 84652751 NIKHXVNRHXCTOE-HNNXBMFYSA-N 418.559 3.784 0 1 HHAF O[C@@H](COc1cccc2[nH]c3ccccc3c12)CN1CCN(c2ccccc2)CC1 96939763 UXUHQFVQJCNORL-HXUWFJFHSA-N 401.510 3.883 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100646750 LLAHJYBITWOMNU-CWBXHPNXSA-N 407.510 3.871 0 1 HHAF COc1cc([C@@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCCO4)cc(OC)c1OC 100869353 JXRDAHBTYSIPAL-IBGZPJMESA-N 411.410 3.501 0 1 HHAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cc21 143453162 PJZPWKDREFPZTJ-QGZVFWFLSA-N 415.440 3.919 0 1 HHAF O=[S@@](CCCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 586961309 UKEFGJVXEDZRHP-VWLOTQADSA-N 421.316 3.837 0 1 HHAF CCOc1cc2oc(=O)c(-c3nc4cc(N)c(N)cc4[nH]3)cc2cc1Br 586999057 UARFXYVTXLCMKQ-UHFFFAOYSA-N 415.247 3.662 0 1 HHAF NC(=O)c1cccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587054377 GWXXXFWEKUCNCY-UHFFFAOYSA-N 413.264 3.846 0 1 HHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(C2CC2)n1 587229300 DMJIFQCTXXZYPW-UHFFFAOYSA-N 400.870 3.922 0 1 HHAF COC(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334662 FRNFXVGAJXCSRF-GMAHTHKFSA-N 407.397 3.744 0 1 HHAF CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341588 JWWGEFBZJGGJFW-NZQKXSOJSA-N 424.428 3.565 0 1 HHAF CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587461 NXVTTWFKQAIXDT-FDDCHVKYSA-N 421.405 3.824 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccoc1CC[C@H]2CC(=O)O 587836050 YRCZPPXCFYMFTA-AXTBBGANSA-N 408.267 3.996 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 587842424 DRKVQQPTBZLWRX-CWTRNNRKSA-N 424.335 3.934 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)NC1=CCCN1C2=O 587871699 BPPYBHYJTDCOMI-UHFFFAOYSA-N 418.428 3.889 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccc(C)cc3)c2O)c(O[C@H]2CCOC2)c1 587925410 HJNCMVMLCLFZKM-KRWDZBQOSA-N 409.438 3.818 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cn(-c3ccccc3)nc1-c1ccncc1)NCC2 962925436 MUJZHNGMKIOLPR-RUZDIDTESA-N 423.520 3.871 0 1 HHAF COc1ccccc1CC(=O)Nc1ccc(-n2c3c(c4nc[nH]c(=N)c42)CCC3)cc1 1857554842 GRIQKAFBKMGNTL-UHFFFAOYSA-N 413.481 3.512 0 1 HHAF CC(C)c1cnc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)c(O)c1 1857581587 YLJSKXNOWIUZRG-UHFFFAOYSA-N 406.689 3.522 0 1 HHAF Fc1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)cc1 1857594912 HVJRDTCUQQALNJ-UHFFFAOYSA-N 419.504 3.646 0 1 HHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CCN(C(C)=O)CC3)C=C2C)o1 2356468444 BVTRSKBXNZPNKK-PWRODBHTSA-N 402.583 3.583 0 1 HHAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1sc(-n2cccc2)nc1C 2356763594 LGYOXWNKQJVQNI-OALUTQOASA-N 416.591 3.595 0 1 HHAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@](C)(O)[C@@]2(C)C(=O)CCOC(=O)Cc2cc(O)ccc2O)C1 2356829638 JAPUOJHCQMSTEY-VVMRRZQYSA-N 416.514 3.522 0 1 HHAF O=C1[C@@H]([C@H](O)COc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 3813813 MMNZCESXFOCVMF-BHIFYINESA-N 411.404 3.814 0 1 HHAF CC[C@H](C)C(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1OC 14779775 GJXSHGNJOOZNFH-NSHDSACASA-N 414.410 3.840 0 1 HHAF biogenic Cc1nnc(N2CCC(C(=O)NCCC(C)C)CC2)c2nn(-c3ccccc3)c(C)c12 20564091 WCKBYLZLFZNWGL-UHFFFAOYSA-N 420.561 3.811 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)[C@H]4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)C[C@H]21 49767899 URBVXPSDUNLXTB-SFOFJABQSA-N 406.607 3.968 0 1 HHAF Cc1ccc2cc(-c3[nH]nc4ccc(NS(=O)(=O)c5cn(C)cn5)cc34)[nH]c2c1 66075480 HYFOPUFXONUVJV-UHFFFAOYSA-N 406.471 3.554 0 1 HHAF CC(C)(C)c1ccccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95592252 IMSSQPPRFSJGFU-UHFFFAOYSA-N 413.499 3.862 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(N4CCCC4)c31)[C@@H]1CC[C@@H](C2)N1 100633170 OFSIIVMOOSZYDQ-JXFKEZNVSA-N 421.566 3.961 0 1 HHAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 100765124 UWSBTSAJZMIHBL-OKILXGFUSA-N 423.629 3.978 0 1 HHAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4-c4ccccn4)C[C@H]3C2)n1 116826338 JJWJVHZJBUGWQP-ROUUACIJSA-N 417.488 3.503 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(Cl)cc1 169350237 ZMYIMNAXVPMHPA-XAKZCVKDSA-N 404.890 3.924 0 1 HHAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]3C)n1 218937246 ZMVUVIKWZWFBIB-QMMMGPOBSA-N 409.302 3.629 0 1 HHAF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1Cl 586947057 RMXNHAJYKKHRLM-CQSZACIVSA-N 405.907 3.649 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)ncc4[nH]3)cc12 587038321 QRSFMOYGBCNXKU-MRVPVSSYSA-N 408.409 3.724 0 1 HHAF N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1F 587142512 DABUTYTWLFATSO-JTQLQIEISA-N 414.076 3.865 0 1 HHAF O=S(=O)(c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1)C(F)(F)F 587177785 ZPOKKNDCXHUPLM-UHFFFAOYSA-N 414.384 3.658 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587448083 BKILZCFLRBADAK-WDNCENIBSA-N 414.413 3.904 0 1 HHAF Cn1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587545999 NHCMKWIAVBYOHH-KBXCAEBGSA-N 401.216 3.591 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2Cn1cncn1 587582819 RFKRYBOBJDLVOP-NIJIEXERSA-N 405.454 3.965 0 1 HHAF C[C@@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596121 QWMMJDCOMINKIP-YKSBVNFPSA-N 416.433 3.799 0 1 HHAF Nc1c(F)c(F)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1F 587655514 KXJIBRZXLHPDNY-UHFFFAOYSA-N 404.298 3.725 0 1 HHAF O=C([C@@H]1COc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657144 WZTGBDQADORWBC-FQEVSTJZSA-N 420.371 3.822 0 1 HHAF COc1ccc(/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCC=CC2=O)cc1 653795087 GXAWBZCBBVCHHX-CPNJWEJPSA-N 423.465 3.577 0 1 HHAF CCOC(=O)Cc1c(C)[nH]c([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1C 962568822 LKCVLDZQWMPFSS-JCQPUDPBSA-N 400.519 3.720 0 1 HHAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731781 ULTACXLAHKSTFB-RXVVDRJESA-N 405.416 3.756 0 1 HHAF CC[C@@H](C(=O)O)n1cc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962923514 REMHLDXOEYQVOK-IUKKYPGJSA-N 410.445 3.679 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(CNC(=O)OC(C)(C)C)cs3)c3cccc1c32 963023640 KHYJGLAGTIWNOX-JLTOFOAXSA-N 413.543 3.916 0 1 HHAF O=N[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963177241 JNFHKJOLNWIGRG-NUJGCVRESA-N 410.779 3.892 0 1 HHAF CSc1cccc(N2C(=O)CN(c3ccccc3)C[C@H]2C(=O)NC2CCCC2)c1 1772586389 WAIKMXNVKKPOIE-NRFANRHFSA-N 409.555 3.689 0 1 HHAF COc1ccc(C2=NO[C@@H](CN3CCN(c4nsc5ccccc45)CC3)C2)cc1 1772610681 QMBQTZIPAHGODN-GOSISDBHSA-N 408.527 3.620 0 1 HHAF O=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(Cc2ccccc2)CC1 1772613823 ZNABTQZRXWSHES-UHFFFAOYSA-N 416.569 3.898 0 1 HHAF O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCCc1ccc(Cl)cc1 4930963 PLTDKKGHMVOXQD-UHFFFAOYSA-N 406.313 3.590 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@@H](C)[C@@](C)(O)C2 14692442 LZUYISWUVHJQPR-SPSFWMDKSA-N 418.486 3.588 0 1 HHAF biogenic O=C(NCC1CCNCC1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 28645336 RECFRHNZTBDDOG-UHFFFAOYSA-N 413.831 3.622 0 1 HHAF O=c1[nH]c(C2=C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)CC2)nc2ccccc12 28954773 QNRPIDRJRVEQLF-LJQANCHMSA-N 406.917 3.945 0 1 HHAF O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1 34855223 AOLOAOLIOACKFC-UHFFFAOYSA-N 408.726 3.967 0 1 HHAF CC(=O)NCCO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 35064342 NPUYFSOLWVDWPW-VWLOTQADSA-N 400.478 3.696 0 1 HHAF CN(C)CCOc1ccc(/C=C/c2cc(-c3cc4c(O)ncnc4[nH]3)ccn2)cc1 35285617 RLAJOHAIIACFAM-ZZXKWVIFSA-N 401.470 3.836 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OC/C=C/I)[C@H](c1ccccc1)C2 36177241 PTARSFHGDDMYOJ-UCJIZAHUSA-N 411.283 3.745 0 1 HHAF Cc1ccc(-n2ncc(Cl)c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2=O)cc1 66138940 XERYTZZQHXIKFV-UHFFFAOYSA-N 419.909 3.973 0 1 HHAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccccc2F)C1 82151805 JOTVLIMQDXLJMN-HZPDHXFCSA-N 400.498 3.992 0 1 HHAF Cc1ccc(NC(=O)[C@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)cc1 95579935 DCJMOQRILWZFOE-ZDUSSCGKSA-N 422.876 3.510 0 1 HHAF O=C(C1CCCCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccc(F)cc1)C2 95797655 LNOOSNBTYFHJDU-BJKOFHAPSA-N 422.544 3.947 0 1 HHAF O=C1C(=O)N(Cc2ccco2)[C@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 100273354 BCJDNNFWCNRPAM-WOJBJXKFSA-N 400.390 3.573 0 1 HHAF Cc1nn(-c2ccccn2)c2[nH]c(=O)c(CNCc3cccc(C(F)(F)F)c3)cc12 169336050 XAKQIETZOAKQCN-UHFFFAOYSA-N 413.403 3.726 0 1 HHAF COc1ccccc1-c1nc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)ccc1OC 203894666 KZCOUVBSNMCPRK-SFHVURJKSA-N 424.428 3.851 0 1 HHAF COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)[C@]3(C)I)ccc1O 261127386 KMCWFSRJAGUCQK-MDNXKNQGSA-N 416.255 3.940 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1)N1CCC1 586956198 ZDPBFMGBCJJCOB-UHFFFAOYSA-N 417.705 3.980 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 586972681 KNSJFWLLMPEHBB-ZDUSSCGKSA-N 423.311 3.970 0 1 HHAF COC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1OC 587077602 XQXVOEMEZDTBOM-UHFFFAOYSA-N 412.833 3.847 0 1 HHAF C[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc(Cl)cn1 587079067 FZWMORCBPBPGLQ-YFKPBYRVSA-N 408.030 3.675 0 1 HHAF Cc1csc([C@](O)(Cc2nc3c(C)c(Br)cnc3[nH]2)C(F)(F)F)n1 587094286 OTBBANFRUDKMNP-CYBMUJFWSA-N 421.242 3.786 0 1 HHAF FC(F)(F)c1nn(CCc2nc3cc4c(cc3[nH]2)OCO4)cc1Br 587117166 APRBTPMRFZBGRH-UHFFFAOYSA-N 403.158 3.512 0 1 HHAF CC1=C(c2ccc3nc(-c4cc(F)cc(Br)c4)[nH]c3c2)NNC(=O)C1 587161257 NZIAALANLRIXJJ-UHFFFAOYSA-N 401.239 3.887 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCOCC3)c(Cl)c1)O2 587373658 FMDDZQWLEQZIEQ-NRFANRHFSA-N 416.905 3.648 0 1 HHAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587374797 QMLVEWURRJHTHR-UVJFRJNBSA-N 402.443 3.554 0 1 HHAF Cn1cccc1C1(c2cccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576005 HIZZGBQTTCITMO-NRFANRHFSA-N 400.434 3.975 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]c2ccccc2c1N 587870095 WCYJYEKVIRQBQC-UHFFFAOYSA-N 401.348 3.725 0 1 HHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587927690 SMSQFLITIHXSBM-INIZCTEOSA-N 406.486 3.878 0 1 HHAF Cc1cc(C)c(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)c(C)c1 653711569 SEQHTWRKQRZCEK-UHFFFAOYSA-N 424.541 3.824 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccc(-c3cccnc3)o2)N1 962629920 GQTYKHWPBVCJGZ-SCLBCKFNSA-N 404.344 3.929 0 1 HHAF COc1cccc2c1CCC[C@]21c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962663524 JYQLIRUWIYSDPR-LOSJGSFVSA-N 402.494 3.922 0 1 HHAF CN(C)CCOc1ccc(-c2ccnc(Nc3ccc([S@](=N)(=O)O)cc3)n2)cc1 1772653586 XUHKAYYHRKVAST-UHFFFAOYSA-N 413.503 3.706 0 1 HHAF CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4)n3)nc2)CC1 1911573610 WXGZTKYOSGMKGD-UHFFFAOYSA-N 413.888 3.903 0 1 HHAF COc1ccc([C@H](OC(C)=O)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@H]2COC(C)=O)cc1 2356553810 DYHAQSFWZZAXHU-AFXVXQJMSA-N 414.454 3.572 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 6332287 OOYHHUNRQPNUKT-HUUCEWRRSA-N 401.532 3.576 0 3 HHAF CCOC(=O)C1=CC[C@@H](c2ccc(F)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 34131452 MLGWDAMBIDCVGX-FQEVSTJZSA-N 403.475 3.759 0 3 HHAF COc1ccc(OC)c(CN2C(=O)CCCC[C@]2(C)c2nnnn2C2CCCC2)c1 203465542 LQSGCUZBXDYXRD-JOCHJYFZSA-N 413.522 3.623 0 3 HHAF COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 770285 LLPZCLSGZMOUTQ-GMAHTHKFSA-N 419.481 3.762 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CCOCC1 4310690 RQSRUKINBFTQMS-NHCUHLMSSA-N 404.507 3.577 0 1 HHAF Cc1nc(C(=O)N[C@H](C)C(=O)NCCc2ccc(F)cc2)cc2c1[nH]c1ccccc12 15967881 NDOJYABZLVZIHU-OAHLLOKOSA-N 418.472 3.641 0 1 HHAF biogenic O=C(CN1CCN(C/C=C\c2ccccc2)CC1)[C@@](O)(c1ccccc1)C1CCC1 27707875 JJASUKKHMYLBLQ-YTILDKKBSA-N 404.554 3.574 0 1 HHAF CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc1 27859658 UTKVKYWAOULRJL-GDZNZVCISA-N 424.485 3.526 0 1 HHAF O=c1[nH]c2ccc(Cl)cc2n1C1CCN(C[C@@H]2COc3ccc(F)cc3O2)CC1 27903354 JZDFRIMIAKWZLR-MRXNPFEDSA-N 417.868 3.599 0 1 HHAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1ccc(C)cc1 28702137 AZUAPEPASMOWRY-LJQANCHMSA-N 408.458 3.746 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@@H]1N2C/C=C/I 28768813 CZPZQMXAJDWBFP-DPBFHROISA-N 411.283 3.745 0 1 HHAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(C(N)=O)cc21 28952246 BJFVNGLTPQNIMB-UHFFFAOYSA-N 419.529 3.927 0 1 HHAF Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 34231720 VTDHRWSAWWRCQP-HKBUGEINSA-N 413.539 3.838 0 1 HHAF COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1 66262952 ZITSWKKGCZZGDB-UHFFFAOYSA-N 420.509 3.900 0 1 HHAF Fc1ccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)cc1 82187225 NDTBUXAUXMCIAF-IBGZPJMESA-N 418.476 3.861 0 1 HHAF O=C(Cc1ccccn1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 84652543 CKLPMHPQYVCYLL-UHFFFAOYSA-N 400.526 3.628 0 1 HHAF COc1c(O)c(C(C)C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO 85633018 NSNCXPDXKYMOEH-UHFFFAOYSA-N 400.427 3.764 0 1 HHAF biogenic,in-vitro O=C(c1ccncc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95877882 OYARCXHZSFONHV-VJBMBRPKSA-N 403.457 3.878 0 1 HHAF Cn1ncc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc21 147812637 BYRWTSYZTVPYKJ-UHFFFAOYSA-N 409.449 3.861 0 1 HHAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(OC)c(OC)c1)CCCC3 169686316 IFHDKWFRCUTUOD-VQTJNVASSA-N 423.513 3.977 0 1 HHAF C[C@@H]1Cc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O[C@H]1c1ccccc1 169710765 CMQFOJVBXXCIIC-JLTOFOAXSA-N 410.495 3.970 0 1 HHAF Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@@H]4C[C@@H](C[C@@H]1C4)C[C@@H]23 195412081 YZXGXCSVJCWIGP-JUHUMZBXSA-N 409.574 3.661 0 1 HHAF N[C@H]1CC[C@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 261167793 SGAITOWYMYEPQN-WKILWMFISA-N 416.957 3.712 0 1 HHAF CCNC(=O)Nc1nc2cc(-c3ccc(C(C)(C)O)nc3)cc([C@@H]3CCCO3)c2[nH]1 299819583 AQXZEUSQHBAHDL-KRWDZBQOSA-N 409.490 3.845 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014474 QVNFAUABQBCLRP-UHFFFAOYSA-N 422.532 3.505 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587224524 JRHFEJJZSHYCFL-UHFFFAOYSA-N 408.245 3.763 0 1 HHAF CCOC(=O)CSC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369162 DCVNJOPCIWWLPO-TZIWHRDSSA-N 404.459 3.945 0 1 HHAF COC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422977 WITYUEXFFWSYHB-FOIQADDNSA-N 406.356 3.920 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(S(C)(=O)=O)cc4)n1)[C@@H](C2)C3=O 587447529 BJLPHAVYRLKSPA-SBUREZEXSA-N 421.474 3.649 0 1 HHAF Oc1nc(O)c2cc(Cc3ccccc3)c(C[C@@H](O)CCc3ccccc3)nc2n1 587561322 PSIIFPPOEGLZQW-IBGZPJMESA-N 401.466 3.563 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc(Cl)cc12 587571114 PIPSACUKTOIXII-HRAATJIYSA-N 411.772 3.994 0 1 HHAF COc1ccccc1C[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587807038 LKBAXDCNVLCJIX-NSPYISDASA-N 408.267 3.654 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(CCO)cc1 587868434 LGHAIAPKPWVEOU-UHFFFAOYSA-N 406.364 3.588 0 1 HHAF COC(=O)N(C[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)c1ccccc1 962666118 MFWQPXSZAMXAKZ-HYBUGGRVSA-N 419.481 3.648 0 1 HHAF CN(C)CCCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963234659 RBEDUUKRWPFMKP-ZEQRLZLVSA-N 419.525 3.644 0 1 HHAF O=c1oc2ccccc2c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1CO 1772621210 XXQXFGDPJFIKEG-UHFFFAOYSA-N 404.388 3.631 0 1 HHAF COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Oc1cc(C(F)(F)F)ccn1 1772643572 IKRBWAZFNAWXQZ-KBPBESRZSA-N 410.392 3.848 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)OC3=CC(=O)O[C@]4(C)CC(=O)O[C@]34C[C@H]2C[C@@H]1O 1857627538 FWDUNYAYYMYOQL-LCBZXWACSA-N 416.514 3.740 0 1 HHAF C[C@@H]1[C@H](O)[C@]2(OC1(C)C)O[C@@]13CC[C@@H]([C@H]2C)[C@]1(C)C=Cc1c3ccc(O)c1CO 2356480653 LIQMFAHYIGAEHK-NFLWAMEWSA-N 400.515 3.691 0 1 HHAF COc1cc([C@H]2Oc3cc(C=CCO)cc(OC)c3O[C@H]2C)cc(OC)c1OC 2356668476 RGWQWUWITAFJJO-RBZFPXEDSA-N 402.443 3.628 0 1 HHAF COC(=O)CC[C@H](C)[C@H]1C[C@H](O)[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356823649 GNGSNCPQCZJNBI-MTRTWODRSA-N 422.606 3.537 0 1 HHAF CCCNC(=O)OC[C@H]1C[C@H]2CCN1C[C@H]2c1cc(-c2cccs2)nc(C)n1 2356858232 SXNUILMUOGHYRE-BRWVUGGUSA-N 400.548 3.828 0 1 HHAF Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2ccnc2)cc1C 7042908 DAMQEHPKMYHQKH-ZHZULCJRSA-N 408.527 3.539 0 3 HHAF CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C(=O)O)CO1 199229868 CJFDIBYWODFADU-UHFFFAOYSA-N 408.476 3.564 0 3 HHAF COc1ccc(C2=NN(Cc3cccc(C(=O)O)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474107 ITLJCTJVLVIKBE-RBUKOAKNSA-N 422.481 3.955 0 1 HHAF COc1ccc(CNC(=O)[C@H](COCC2CCCCC2)NC(=O)OC(C)(C)C)cc1 13478454 IYHVSEBOHMOGHP-FQEVSTJZSA-N 420.550 3.802 0 1 HHAF COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 14971557 AGKAVQUKOATYJW-AVRDEDQJSA-N 411.546 3.765 0 1 HHAF O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccc(F)cc5)n4)CC3)c2o1 26397762 XEPWZALNKJXYKD-UHFFFAOYSA-N 404.445 3.644 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(C(=O)CN3CCCCC3)cc1)C2 40380687 CWCQVROJVMGZID-HSZRJFAPSA-N 409.482 3.559 0 1 HHAF O=C([C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccccc1)N1CCCC1 45353012 LFJDYESTXMKZQI-DEOSSOPVSA-N 401.510 3.849 0 1 HHAF CC(C)(N)C(=O)N1CCn2c(nc(-c3ccccc3F)c2Nc2ccc(F)cc2)C1 72109100 LIEJEBYFAZUZHM-UHFFFAOYSA-N 411.456 3.651 0 1 HHAF CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2CCO)c1 96283925 YSHQSLYXKDEJNB-IBGZPJMESA-N 421.526 3.677 0 1 HHAF Cc1nn(-c2cc3nc(SCCC(=O)O)sc3cc2Cl)c(=O)n1C(F)F 103196755 WVJPWSNSDQZEIX-UHFFFAOYSA-N 420.850 3.567 0 1 HHAF N#Cc1nc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 146722031 TYSUUCOXMBQYMY-AEFFLSMTSA-N 417.421 3.587 0 1 HHAF CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706962 MVGONVLTYXSOOP-QGZVFWFLSA-N 402.498 3.911 0 1 HHAF COc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1 205943553 QNRLJYNBTWBLJQ-UHFFFAOYSA-N 413.905 3.667 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 299885057 UWZVKHFRBSNFTG-BKULYWANSA-N 416.477 3.637 0 1 HHAF O[C@H](c1ccc(Br)cc1)c1nc2c(F)cnc(Br)c2[nH]1 586997213 OZIQBLPBWLDRGA-LLVKDONJSA-N 401.033 3.704 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(I)cc41)[C@@H](C2)C3=O 587429771 WVNIKJNJIWHBBN-KXBFYZLASA-N 418.230 3.889 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)CC2=O 587476429 CHGMCZMXHGJAQD-HSZRJFAPSA-N 416.470 3.691 0 1 HHAF O=C(COc1ccc2c(c1)OCO2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660781 TVXXFNZNSKUMNK-UHFFFAOYSA-N 418.380 3.651 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2N)N1 587682047 MIAFKONYTYNAIH-JKYUHCHBSA-N 415.104 3.952 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)n2C)N1 587684421 QQWAMEHRNYXYQA-CPFSXVBKSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 587799828 ZATRUEAZBRANIM-CCMJGWDWSA-N 403.295 3.969 0 1 HHAF CCC(/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)=C\c1ccc2c(c1)OCO2 653803785 YOAVINTXKBRPEI-PDPUNJIDSA-N 407.466 3.665 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OCC)cc2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962575028 VHTBWCSVPCNRBW-VOIUYBSRSA-N 413.514 3.786 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@]3(CCCc4nc(Cl)ccc43)N12 962657511 CCEBGYNEUZHQGS-GOTSBHOMSA-N 407.901 3.962 0 1 HHAF Cn1ncc2c([C@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)cccc21 962915502 AGDCLXPGKSADCU-JTHBVZDNSA-N 415.449 3.760 0 1 HHAF O=C(NC[C@H]1CCCN1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772614991 LNRAISBQMUBBOG-OAHLLOKOSA-N 416.403 3.923 0 1 HHAF CN(C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)C1COC1 1772650209 ZGNNRLDBAGIFCN-UHFFFAOYSA-N 403.360 3.912 0 1 HHAF Cn1ccnc1SCc1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1 1857603428 IUTIXPPFBKSNGF-UHFFFAOYSA-N 416.510 3.779 0 1 HHAF O=C(CCCN1C(=O)c2ccc(F)cc2C1=O)Nc1ccc(-c2ccccc2)cn1 1857611950 HWKYGWFTVIDOBR-UHFFFAOYSA-N 403.413 3.903 0 1 HHAF CC1=C2CC[C@]3(C)[C@H]4[C@H](CC[C@]23CN1C)[C@@]1(C)CC[C@H](N(C)C)[C@@H](C)[C@]1(O)C[C@H]4O 2356563465 FKTUIAROLJADNJ-PBPYILQYSA-N 416.650 3.881 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)[C@H]2C(=O)OC[C@H]21 2356800108 PRNANAGAWMAJKJ-CVQOWSQTSA-N 420.546 3.903 0 1 HHAF COc1ccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCc3ccccc32)cc1 2356828390 IGGNDEPGIIJOGR-URVUXULASA-N 420.557 3.590 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4296100 QNAXABNTRAQMPU-IGGJEDBVSA-N 416.880 3.991 0 1 HHAF CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2O1 13472638 WVOBQVYJGNPWPM-UHFFFAOYSA-N 408.479 3.709 0 1 HHAF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccc(C(C)=O)c3)c(F)c2)C(=O)O1 13648795 XQBKYMXPRPIJCT-YYRDAMDZSA-N 414.408 3.957 0 1 HHAF CN(C)CCCNC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681883 VNYKJBBLKRYEQW-PLNGWDEDSA-N 412.574 3.502 0 1 HHAF CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)c1ccccc1 14827081 GZZZGRTUYOVNEC-RTWAWAEBSA-N 408.406 3.794 0 1 HHAF biogenic O=C(CSc1nc2ccccc2s1)NC[C@@H]1CCCN(Cc2ccncc2)C1 28231215 VIHMUTXMFOWFHA-KRWDZBQOSA-N 412.584 3.812 0 1 HHAF COc1ccc(-c2nc3c(cc4c5c(cccc53)C(=O)N(CCN(C)C)C4=O)[nH]2)cc1 28825855 FISBZSQMCBBJCX-UHFFFAOYSA-N 414.465 3.549 0 1 HHAF C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 28948445 ZGXVKSIBYRIOTG-ACJLOTCBSA-N 415.877 3.817 0 1 HHAF O=C1O[C@](CO)(COC(=O)C2CCCCC2)C/C1=C/c1ccc(C(F)(F)F)cc1 40394477 NGOWERCTQFNFIK-IKXXZMEWSA-N 412.404 3.890 0 1 HHAF CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)sc23)CC1 59298993 CLMUUJGNNNEBSC-IBGZPJMESA-N 407.587 3.953 0 1 HHAF in-vivo CCCCOCCOC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C 82070315 NFTKJACSTVGAKM-IBGZPJMESA-N 402.491 3.764 0 1 HHAF O=C(O)CN(CCc1cccs1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 84615779 LVXIUIAZVFYDCQ-UHFFFAOYSA-N 401.509 3.733 0 1 HHAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 95562876 GMFHGEGAYGJWAD-UHFFFAOYSA-N 416.812 3.799 0 1 HHAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(OC[C@H]4CC4(F)F)cn3)C2)cc1 96172961 YIVYCPDWBANPHF-RHSMWYFYSA-N 417.456 3.861 0 1 HHAF CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 100705718 WQZBVINEAZQHBU-UHFFFAOYSA-N 409.467 3.895 0 1 HHAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)NC5CC5)n4)c3c2)o1 221737815 RGABTOKPUSHWTF-UHFFFAOYSA-N 402.458 3.992 0 1 HHAF O=c1oc2cc(OCCN3CCN(Cc4ccccc4)CC3)ccc2c2c1CCCC2 222009248 OHDDRPINWQDGEH-UHFFFAOYSA-N 418.537 3.868 0 1 HHAF COc1cc2c(cc1OC)[C@@]1(OC)C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 238757548 ASZODYHAJFTQPK-YKSBVNFPSA-N 424.449 3.766 0 1 HHAF COc1cc(OC)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 586984158 CFTWSEUUAYSVNG-OAHLLOKOSA-N 418.291 3.763 0 1 HHAF CC1=C(c2ccc3nc(-c4cccc(-c5csc(N)n5)c4)[nH]c3c2)NNC(=O)C1 587022540 YLKLBUFMKGEGCV-UHFFFAOYSA-N 402.483 3.691 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(O)nc(N)nc2[nH]1 587087447 QSISZWULDSJFFS-VOTSOKGWSA-N 416.272 3.671 0 1 HHAF COc1cncc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587158380 XFLOBENWZGTJLN-UHFFFAOYSA-N 418.226 3.703 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCCO3 587180666 JKRITYAHOZUGRO-SECBINFHSA-N 424.242 3.773 0 1 HHAF COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587594884 PPSRHSFEJKBOBZ-WMZHIEFXSA-N 406.390 3.761 0 1 HHAF O=C(O)c1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)OCOC2 587610559 PTMNIORWPMDFMV-AVRDEDQJSA-N 420.373 3.660 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@]3(CCCNC3)Oc3ccccc31)N(C)[C@@H](C)C2 962629591 PISOESHVRQNEGW-WGXRPPGPSA-N 408.542 3.729 0 1 HHAF Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cc1C(N)=O 1772602503 JFZJRGWCQQBHCT-UHFFFAOYSA-N 421.425 3.531 0 1 HHAF CC(C)NC(=N)c1ccc2nc(CCc3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 1857537728 YSYWEBVNFGZPTB-UHFFFAOYSA-N 407.909 3.906 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCC(=O)O)cc21 1857575747 JFWYGERUVTYYGC-UHFFFAOYSA-N 402.450 3.804 0 1 HHAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1CCCC(=O)O 13125848 PXSNBQUUNGATMF-OAQYLSRUSA-N 408.454 3.635 0 3 HHAF Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@@H](C)C[C@H](C)O)oc(=O)c1C2 36389232 YKTVPJPRINESLJ-AVGNSLFASA-N 418.486 3.657 0 3 HHAF O=C(Nc1ccccc1)c1cc([C@H]2COCCN2C(=O)CCCc2ccccc2)on1 61908532 MOSGFKPVPYXWDZ-OAQYLSRUSA-N 419.481 3.850 0 3 HHAF O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C(=O)c1noc3c1CCCC3)CC2 12050393 XPYABDYNRLRAPF-FQEVSTJZSA-N 421.541 3.545 0 1 HHAF O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)NN1Cc1ccccc1 13743417 PQGXZLLRRFYXKO-UHFFFAOYSA-N 406.505 3.621 0 1 HHAF CC(C)C[C@H](NC(=O)c1c(NCc2c[nH]cn2)cccc1-c1ccccc1)C(=O)O 13796749 UVIFZTCJDBHNKJ-FQEVSTJZSA-N 406.486 3.918 0 1 HHAF CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3cccc(Cl)c3)CC2)n1 13797288 DQQNXTPQVLYYCG-UHFFFAOYSA-N 404.917 3.535 0 1 HHAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 38334438 VSPKTYKQTDXVLL-UHFFFAOYSA-N 417.430 3.969 0 1 HHAF COc1ccc(-c2nsc3c(SCC(=O)NCc4ccco4)ncnc23)cc1 40011093 VURCAWCTDGUNKA-UHFFFAOYSA-N 412.496 3.763 0 1 HHAF Cc1nocc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 45256466 OOCTUXULUGTOAW-MRXNPFEDSA-N 406.364 3.875 0 1 HHAF O=C(N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)C(F)(F)F 72101192 IIVANZCIAKPPPH-MRXNPFEDSA-N 417.353 3.896 0 1 HHAF O=C1OC[C@H](c2ccccc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116189252 NGTIZCMWZWTSIC-LJQANCHMSA-N 423.436 3.879 0 1 HHAF Cc1nccc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 117600655 SAUIVDWBYBYEAD-DOTOQJQBSA-N 403.490 3.568 0 1 HHAF Cn1ccc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(OCC(F)(F)F)c4)[nH]c23)n1 142916255 BJNCJAPGKGCFPX-UHFFFAOYSA-N 423.782 3.685 0 1 HHAF CC1=N[C@@]2(C[C@@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N 169708654 IBGZXUPONLUVLS-GFJSAUFNSA-N 406.324 3.790 0 1 HHAF O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 261153768 PLNFKYPQSOGZAX-OHQAAIJDSA-N 420.937 3.778 0 1 HHAF COc1ccccc1N1CCN(CCCc2cn(-c3ccc(SC)cc3)nn2)CC1 299820437 BKMZKOFYOHRYLE-UHFFFAOYSA-N 423.586 3.753 0 1 HHAF COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 586921070 WSTYYRKEMLFWHK-UHFFFAOYSA-N 421.347 3.595 0 1 HHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(I)cnc2[nH]1 587151584 RTIDPOCZPQRLCA-ZETCQYMHSA-N 401.154 3.981 0 1 HHAF Cc1cc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c(C)n1 587170224 PHUMOCXKDDCISZ-FQEVSTJZSA-N 410.474 3.782 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2c(Br)ccnc2[nH]1)C[C@@H]1CCCO1 587196926 ZYKYDLDFDNSEQG-NSHDSACASA-N 411.300 3.637 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](/C(I)=C/N(C)C)CC2=O 587470783 IXNQYZKTYGHANI-LMRWQKIVSA-N 401.244 3.517 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C\N(C)C 587474902 IEZAFRUPFMOYHE-UXZSZYKQSA-N 416.518 3.745 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc3c(cc12)OCO3 587606482 DFASBSRYVUAGHM-NFBKMPQASA-N 404.374 3.761 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(S(C)(=O)=O)c2c1 587649440 JQNXZWJZQGXVOK-UHFFFAOYSA-N 417.430 3.661 0 1 HHAF Cc1c([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C 587707351 UJAKIRRYZPBJMR-VXJOIVPMSA-N 406.221 3.970 0 1 HHAF CCOC(=O)CC[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587800692 YJSNMTGVOQSSBX-ADLMAVQZSA-N 416.287 3.526 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCc1ccccn1 587863093 CGFLFWJGWBDPNY-UHFFFAOYSA-N 406.433 3.938 0 1 HHAF Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963512590 XKQYLHZIZZMBRU-MHECFPHRSA-N 411.498 3.743 0 1 HHAF O=C(Nc1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772643814 JNWBZUPTYKLVBI-IBGZPJMESA-N 422.868 3.957 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3COC(=O)[C@@H]3[C@H](OC(C)=O)C[C@H]12 2356800107 PRNANAGAWMAJKJ-CAGMZUEUSA-N 420.546 3.903 0 1 HHAF O=C(NC1CCCCC1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 2356867267 WPUDFUAUUBHEJK-WWPVKYPJSA-N 413.610 3.560 0 1 HHAF CCc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1 2456164 OYNRTLKFMLMIKH-UHFFFAOYSA-N 423.332 3.721 0 1 HHAF O=C(O)C[C@@H]1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc21 3964813 HXARURWAKJJNNF-FQEVSTJZSA-N 407.514 3.911 0 1 HHAF O=C(CCNC(=S)Nc1ccc(Br)cn1)c1cc(F)ccc1F 14943883 LBMPVNZCFRFQOD-UHFFFAOYSA-N 400.248 3.682 0 1 HHAF CC(C)(C)c1ccc(C2=NC3(CCN(C(=O)c4ccccc4F)CC3)NC2=O)cc1 20556412 IIWAFEILMOUGCN-UHFFFAOYSA-N 407.489 3.675 0 1 HHAF CCCc1cc(O)c(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28253261 FEYCCYANKWTYGB-UHFFFAOYSA-N 401.470 3.710 0 1 HHAF CCCCOC(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 29337914 NYAMOGPJIJIVPB-GHTZIAJQSA-N 403.526 3.610 0 1 HHAF O=C(CCCN1CCC2(CC1)C(=O)N=C(O)N2c1ccccc1)c1ccc(F)cc1 31854007 SXWSBKMDFPUDKD-UHFFFAOYSA-N 409.461 3.584 0 1 HHAF COc1c(OCCF)cccc1[C@H](O)C1CCN(C(=O)Cc2ccccc2)CC1 40423294 RISGRIALVAHWGA-JOCHJYFZSA-N 401.478 3.558 0 1 HHAF O=C(NCc1cnccn1)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 49803413 YKNMMDYAUIXHFP-UHFFFAOYSA-N 408.465 3.869 0 1 HHAF COc1cc(-c2nc(CN3CCN(Cc4ccccc4)CC3)co2)cc(OC)c1OC 72182656 ZAZDCVVMCRAPMK-UHFFFAOYSA-N 423.513 3.685 0 1 HHAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NC3CCCCC3)c2cc1OC 82119651 GEOVUDGUVCIKCD-HNNXBMFYSA-N 400.523 3.600 0 1 HHAF COc1cccc(CNC(=O)N(CCCN(C)C)c2ccc(-c3cn[nH]c3)cc2)c1 95588386 DRJCOKUHDWASCK-UHFFFAOYSA-N 407.518 3.753 0 1 HHAF O=C(c1nc2ccccc2[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168920 KBTXELSWPMMPBM-UHFFFAOYSA-N 406.486 3.536 0 1 HHAF Cc1ccc(CN2[C@H]3CC[C@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1OCCO 100617042 ODUYVHAFJTXMAF-VXKWHMMOSA-N 406.530 3.850 0 1 HHAF COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(C)cc5s4)C[C@@H]3C2)c(OC)c1 116827173 LYNLZOHBLSXUEN-HOTGVXAUSA-N 423.538 3.830 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](n1c(=O)cc(O)n(CCc3cccc(Cl)c3)c1=O)C2 169729816 LVFGZUKPLWCKEZ-ZWWNWMABSA-N 402.922 3.999 0 1 HHAF CCNc1nc(Nc2cn(C(C)(C)c3nnc(CC)o3)nc2C)ncc1C(F)(F)F 205714429 PLDAJRSAFFAWGU-UHFFFAOYSA-N 424.431 3.905 0 1 HHAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3 586946625 SFJXYIGUGWIZBM-UHFFFAOYSA-N 419.509 3.560 0 1 HHAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586957564 BONVTKIKWKBPHI-HNNXBMFYSA-N 419.812 3.704 0 1 HHAF Sc1nc(S)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586984782 PKBIEOLGIMYGOA-LBPRGKRZSA-N 422.377 3.878 0 1 HHAF COC(=O)CC[C@@H](C(=O)OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096311 CIGYURPLGQGHIE-MRXNPFEDSA-N 403.434 3.964 0 1 HHAF CCS(=O)(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167217 IKSGBXIDNZKTKR-SFHVURJKSA-N 416.478 3.865 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc3ncccc3c2[nH]1 587181864 GHRIZLRIJQJRPU-JTQLQIEISA-N 403.227 3.830 0 1 HHAF COc1c(C)c(O)c(C)c(O)c1-c1nc2nc(O)nc(O)c2cc1Cc1ccccc1 587559264 HNSYVHBCNHDUCT-UHFFFAOYSA-N 419.437 3.730 0 1 HHAF O=C(O)c1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c2c1 587592314 GOINUDKBMSAGBR-DYESRHJHSA-N 402.362 3.670 0 1 HHAF COc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc(OC)c1O 587660182 OTRGMWAVNQNFDF-UHFFFAOYSA-N 420.396 3.614 0 1 HHAF C/C(=C\[C@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587744166 ZCLQIQOWRUKDJA-GLEYLAJFSA-N 405.315 3.621 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CN(c3ccc(N)cn3)C=C2)N1 587775557 TUQFOZJQXCJMTC-GFCCVEGCSA-N 401.283 3.843 0 1 HHAF O=C(O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O 587941997 XJBIOCGUAFJNDN-UHFFFAOYSA-N 418.243 3.857 0 1 HHAF COc1ccc2c(c1)C[C@@H](c1nc3cc(I)cnc3[nH]1)CC2 587945499 FTEYIOOFUCWXCD-NSHDSACASA-N 405.239 3.844 0 1 HHAF CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962704082 UFAQTZANJYKYKR-OXJNMPFZSA-N 422.378 3.763 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCc1cc(F)c(F)cc12 963155964 ZOEUMKQKBPJQCU-MGPUTAFESA-N 422.453 3.858 0 1 HHAF CCC[C@@]1(CC(=O)OCC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186599 VGPAQTYNSVDAJO-YOEHRIQHSA-N 407.816 3.906 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(Cc1ccc(C(F)(F)F)cc1)C(=O)O 963602673 ANXOLMMBYJDDLI-YUNKPMOVSA-N 409.404 3.779 0 1 HHAF Cc1cc(C)n(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ccncc34)c2)n1 1772592250 CWPJMGUSJHGSPW-UHFFFAOYSA-N 416.485 3.695 0 1 HHAF O=C(CN1CCC(F)(F)CC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1 1857594751 ZOJFQDABPFOBCI-UHFFFAOYSA-N 407.505 3.752 0 1 HHAF Cc1c(Cl)ccc(O)c1C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 2356327486 BKHFTNHFLNCCGT-HNNXBMFYSA-N 407.253 3.914 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@H](C)[C@H]2[C@H]1O 2356871934 YMXPCHARRQQITD-MGJUIUIKSA-N 412.574 3.523 0 1 HHAF COC(=O)c1cc(C)nc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 61906831 YTBFYSLOMHYQJH-CYBMUJFWSA-N 403.895 3.668 0 3 HHAF O=C1N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3c(=O)n2-c2cc(Cl)ccc21 61949271 MRGSFAXLHWLPOK-LJQANCHMSA-N 417.852 3.772 0 3 HHAF C=CCC1=C[C@](OC)([C@@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 15045024 ZLKMSKWHUILKHU-SBQFXOPASA-N 414.454 3.656 0 1 HHAF biogenic Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N32)c1 26772276 RVPZZDOGDODYQE-ZJSXRUAMSA-N 401.510 3.817 0 1 HHAF biogenic COc1ccc(C(=O)CSc2nc3sc(-c4ccccc4)cc3c(=O)n2N)cc1 38939783 IAICBPCADWCXDD-UHFFFAOYSA-N 423.519 3.822 0 1 HHAF Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4cccc(F)c4)CC3)cc1CC2 40402127 UBRXHSSQHMQSFL-UHFFFAOYSA-N 419.504 3.664 0 1 HHAF C[C@H](Nc1nc(-c2ccccc2)nc2ccc(I)cc12)C(=O)O 40864087 CIXRUFPUZXNVFU-JTQLQIEISA-N 419.222 3.786 0 1 HHAF C/C=C(/C)C(=O)O[C@@H](C)c1nc(C(=O)N/C=C/C(=O)OC)cc2c1[nH]c1ccccc12 66102713 FYJIMBXWGFOPJQ-QICPNHSRSA-N 421.453 3.703 0 1 HHAF COc1ccc([C@@H]2CC(c3ccsc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459623 MLTLRTNFYGNEJM-FQEVSTJZSA-N 413.524 3.760 0 1 HHAF O=C1Cc2cc(C(=O)N[C@H](c3ccc(Cl)c(Cl)c3)C3CCNCC3)ccc2N1 72180732 VKIGGXWXRUJMJS-FQEVSTJZSA-N 418.324 3.959 0 1 HHAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CCO)Cc2ccccc2)n1 82066546 ISLDYZGISXPPQK-KRWDZBQOSA-N 423.517 3.882 0 1 HHAF OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 95875539 ZLAMFFFFACPEQP-UODIDJSMSA-N 414.553 3.568 0 1 HHAF COc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1-n1cnc(C)c1 103225481 IGAGTTQHWLTTFZ-OAQYLSRUSA-N 404.514 3.584 0 1 HHAF COc1cncc([C@@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)c1 206338410 HDUPHBKKPQFAQB-IBGZPJMESA-N 403.467 3.870 0 1 HHAF CS(=O)(=O)NC(=O)c1ccc(OCC2C3CC4CC(C3)CC2C4)c(C2CC2)c1 225246645 XXRRNFFJNMKKHJ-UHFFFAOYSA-N 403.544 3.705 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccnc(OC)c3[nH]1)C(=O)OC2 586915204 IFHHGKAKVMSREV-XGICHPGQSA-N 423.469 3.781 0 1 HHAF Fc1cnc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c12 587006537 FXHWVGYCIPFCJM-UHFFFAOYSA-N 411.032 3.937 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 587123447 IJLHAEBJIUKHTN-YVEFUNNKSA-N 420.439 3.566 0 1 HHAF C[C@@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338446 ODGRNCRNRSAHLH-REWPJTCUSA-N 407.397 3.985 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@@H]3[C@H]12 587352709 NMQDICCAUIOBBZ-NXBYCQRDSA-N 402.421 3.586 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(/C=C\C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423542 VJTGCANJKQVFGF-GVYWRUEDSA-N 410.809 3.909 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N)ccc(N)c21 587468151 BMPACSDVSFNVIO-RUZDIDTESA-N 414.461 3.963 0 1 HHAF COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522054 DPQCKAMVPPGNPP-DEOSSOPVSA-N 408.450 3.567 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595843 OXBOYGNARIINHI-FDDCHVKYSA-N 403.390 3.518 0 1 HHAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609164 MMSHINPADSKDPU-RDPSFJRHSA-N 416.385 3.919 0 1 HHAF CCn1ncc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587762460 FBJWVXBBUIGUPC-BNXIHZENSA-N 421.358 3.966 0 1 HHAF O=Cc1c(Cl)[nH]c([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1Cl 962676433 ZDEHDHMPZXZDCJ-JXFKEZNVSA-N 418.280 3.870 0 1 HHAF COc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(OC)c1O[C@H](C)C(=O)O 963094224 LKNVOXRIULLUDC-GQNMWPQZSA-N 415.461 3.805 0 1 HHAF COc1ccc([C@@]2(c3ccccc3C(=O)O)NCCc3c(C(=O)O)cccc32)cc1 963135014 VMEYILFUCYHDRU-XMMPIXPASA-N 403.434 3.529 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(c1nccs1)N(C(=O)c1ccccc1N)CC2 963148011 YNMWKHCTVNVHSC-JOCHJYFZSA-N 409.511 3.705 0 1 HHAF Cc1nc(Nc2ccc(OCCCO[N+](=O)[O-])cc2)c2cnn(-c3ccccc3)c2n1 1772608837 KYYYRBQCGJXHRD-UHFFFAOYSA-N 420.429 3.845 0 1 HHAF Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)N2CCCC(F)(F)C2)cn1 1772613666 FVXYBJRQYPAMFI-MRXNPFEDSA-N 412.843 3.780 0 1 HHAF CC(=O)c1cccc(-c2nnnn2CCCN2CCC(Cc3ccccc3)CC2)c1 1772625077 RQLILZDOWGEUMQ-UHFFFAOYSA-N 403.530 3.888 0 1 HHAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2C)n1)c1cn(-c2ccc(Cl)cc2)cn1 1857759470 DAWINSQXUWPTBL-RYUDHWBXSA-N 416.844 3.973 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(C)=O)=C[C@H](O)[C@H]1C(C)(C)CCC[C@]12C 2356424248 RSUWYVAJUFBIDE-WNCSLHQUSA-N 408.535 3.554 0 1 HHAF COc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC[C@H]3CCCO3)c2c1 906262 MNRJWLNNXMIBOQ-QGZVFWFLSA-N 409.511 3.693 0 3 HHAF Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4F)no3)CC2)c1 4821662 PNXHORQXYKWRDH-UHFFFAOYSA-N 408.477 3.774 0 3 HHAF COc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N2CCN(c3ccncc3)CC2)cc1 95599210 KDISQWSGSGZUAQ-HSZRJFAPSA-N 420.488 3.731 0 3 HHAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(Cl)c1 199424194 VFLOKPGUHCOGJG-FQEVSTJZSA-N 413.905 3.928 0 3 HHAF COC(=O)C[C@H](c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O 1486960 QHRUOVZCUAYCJQ-LJQANCHMSA-N 423.465 3.917 0 1 HHAF CC(=O)c1cc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)cs1 11753978 NVNZIPQYMSXDKE-PTLVVNQVSA-N 406.551 3.856 0 1 HHAF CC(C)NC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1C1Cc2ccccc2C1 12127311 YQUKOTGNOPMVDT-KNQAVFIVSA-N 420.582 3.790 0 1 HHAF CCCCCC[C@H](C)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)OC[C@@H]3[C@@]2(C)OC1=O 14696162 UMDDQZKJZQPILY-AXBCGAQBSA-N 402.487 3.808 0 1 HHAF biogenic C=Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12 88345978 ZGLVRJCQMFZMEK-UHFFFAOYSA-N 408.465 3.712 0 1 HHAF COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(OC(F)(F)F)cc3)CCN1CC2 95589901 WCWNXHJYVSNEHQ-YLJYHZDGSA-N 409.404 3.880 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5cccnc45)ccc31)[C@H]1CC[C@@H](C2)N1 96175253 XDUOMJSWMCAUDX-MAUKXSAKSA-N 403.507 3.909 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4ccnc5ccccc45)ccc31)[C@@H]1CC[C@@H](C2)N1 100633030 HOAWKKYLOUGPPY-LIRRHRJNSA-N 403.507 3.909 0 1 HHAF c1cc2c3cnc(Nc4ccc(N5CCNCC5)nc4)nc3n(C3CCCC3)c2cn1 117696474 QDFRMUUVZQGYCN-UHFFFAOYSA-N 414.517 3.643 0 1 HHAF CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(N4CCN[C@@H](C)C4)cn3)nc21 169706772 LFDCAGWSNIVJEU-JKSUJKDBSA-N 416.533 3.887 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCc2ccccc2)c1 169707045 WRLXUFPMRZTLAM-OAQYLSRUSA-N 416.525 3.820 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C 195114748 WQFIZWCFRFXCPS-GSEOLPGOSA-N 402.563 3.907 0 1 HHAF O=C1COc2cc3[nH]c(/C=C/c4cc5c(cc4Br)OCO5)nc3cc2N1 586998199 HFJQCCIPLJQDIV-OWOJBTEDSA-N 414.215 3.555 0 1 HHAF Cc1c(Br)ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 587024300 TYTSBEAOMQIUEW-UHFFFAOYSA-N 424.324 4.423 0 1 HHAF COC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1OC 587123124 GSCBMPUGZPXJDV-QPUJVOFHSA-N 409.368 3.529 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 587125295 DFNRAVXSGXHKHD-IMTBSYHQSA-N 401.190 3.891 0 1 HHAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Br 587547619 QPAWMLATZFDELP-RHSMWYFYSA-N 401.216 3.591 0 1 HHAF C[C@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549413 WSPLXXZZKKDZOJ-KXBFYZLASA-N 413.227 3.822 0 1 HHAF Cc1cccnc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577129 JCJDEBGMBAQFCQ-AUSIDOKSSA-N 404.422 3.845 0 1 HHAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C=O)c1 587591619 HGTVEORUTDQFAM-KNQAVFIVSA-N 404.374 3.694 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(O)c1OC 587593295 LENQPMFDWUWRBT-XXBNENTESA-N 408.406 3.992 0 1 HHAF O=C(c1nc(-c2ccccc2)no1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660649 QWLRMJAIKIMVOU-UHFFFAOYSA-N 412.380 3.941 0 1 HHAF CCOc1ccc(-c2nn(C(=O)[C@@H]3CCOC3)c(=O)c3ccccc23)cc1OCC 587668971 JIMVSBCZUVTNHR-MRXNPFEDSA-N 408.454 3.538 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3nnc(C)s3)c(=O)c3ccccc23)c(O)c1 587669924 LTZBYLBYJQCBCF-UHFFFAOYSA-N 407.499 3.764 0 1 HHAF COc1ccc(F)cc1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587736061 YSZCYALNSZUUNQ-NIVTXAMTSA-N 412.230 3.598 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O 587836059 YRCZPPXCFYMFTA-WLCUFGOBSA-N 408.267 3.996 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587854472 BXQYPNRHPGGNQM-VBXXZOLHSA-N 423.307 3.663 0 1 HHAF COc1cc2ncnc(N3CCCc4ccccc43)c2cc1NC(=O)/C=C/CN(C)C 1857644963 GFUZPPAKYYHUNX-YRNVUSSQSA-N 417.513 3.779 0 1 HHAF CNC(=O)c1cccc(OCCCCN2CCN(c3cccc4sccc34)CC2)n1 1857762703 YYTIIIVJXIHBBL-UHFFFAOYSA-N 424.570 3.637 0 1 HHAF O=c1ccc(-c2cc(C(F)(F)F)c3nn(C4CCNCC4)cc3c2)c2n1CCC2 1911581466 ZUDHZCGRRSHVGC-UHFFFAOYSA-N 402.420 3.755 0 1 HHAF COC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O 4660617 YQIIAANJRSWZQD-GDLZYMKVSA-N 409.438 3.939 0 3 HHAF CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCCc1c[nH]c2ccccc12 8829511 DMNCUOHMUARXAD-SQJMNOBHSA-N 401.510 3.615 0 3 HHAF COc1ccc(NC(=O)[C@H]2c3ccccc3OCC(=O)N2CCc2ccccc2)cc1 199207147 IJWRGSMKHAKJDG-XMMPIXPASA-N 416.477 3.839 0 3 HHAF CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCO 4212810 JGPOVKXZTWAZQD-SJORKVTESA-N 415.303 3.711 0 1 HHAF O=C(NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1cnn(-c2ccccc2)c1 11973750 UBZAYRPAIJQMEQ-OAQYLSRUSA-N 414.440 3.807 0 1 HHAF O=C(NCc1ccccn1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 11996085 XUZNFWUYJKDSLP-UHFFFAOYSA-N 422.492 3.630 0 1 HHAF COc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 13732852 KYRUTHCQKFYOBC-QFIPXVFZSA-N 414.465 3.657 0 1 HHAF Cc1cc2c(o1)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]2CN1CC[C@@H](O)C1 13737723 SNCWTLUHFUIVAC-DNVCBOLYSA-N 423.340 3.630 0 1 HHAF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O 17192039 UFRYXHSGDCMKGK-IYWMVGAKSA-N 413.297 3.828 0 1 HHAF O=C1NCCn2c(-c3ccc(F)cc3)c(I)c3cccc1c32 28393958 VUVAHEXALNFTMY-UHFFFAOYSA-N 406.198 3.795 0 1 HHAF COC(=O)[C@@H]1[C@H](c2ccc(Cl)c(I)c2)C[C@@H]2CC[C@H]1N2C 36271804 BPVNLZVHXOKPAU-UOVKNHIHSA-N 419.690 3.684 0 1 HHAF CS(=O)(=O)Nc1ccc(CCCNCCNc2ccc(Cl)c(Cl)c2)cc1 45348990 QQKFLUBSTABOJV-UHFFFAOYSA-N 416.374 3.999 0 1 HHAF Cc1cc(=O)oc2c3c(ccc12)OCC(CN1CCCCC1)(CN1CCCCC1)C3=O 49033578 JQMSVDNWKQGXHJ-UHFFFAOYSA-N 424.541 3.635 0 1 HHAF COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 82066776 SHOURTGPWDCRBN-IYBDPMFKSA-N 415.538 3.585 0 1 HHAF COc1cc(CN2CC[C@@H](Cc3nc(-c4ccc5c(c4)CCO5)no3)C2)ccc1F 84703955 BAPIYISFUMSAQA-INIZCTEOSA-N 409.461 3.884 0 1 HHAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO 95878734 BKTNQFPVSPQVST-AYOQOUSVSA-N 407.352 3.730 0 1 HHAF Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(Br)cnc21 96929145 SBXZEXINQCGSMP-UHFFFAOYSA-N 422.238 3.649 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(F)F)cn3)C2)cc1 169709933 VFMUQKAMJMJNTN-IFXJQAMLSA-N 405.445 3.580 0 1 HHAF C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@H]2CC1 299876166 FEFXVKIJLJCFDJ-IRHSZREOSA-N 410.558 3.692 0 1 HHAF O=C(NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1cscn1 587028545 REPSFRDLXLMOAV-UHFFFAOYSA-N 405.199 3.731 0 1 HHAF Nc1ncc(-c2nc3ccc(Br)nc3[nH]2)c(-c2ccccc2Cl)n1 587060842 NYEVEXFNOIFEGY-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079368 DARCLXBIRPFCNL-GOSISDBHSA-N 405.907 3.971 0 1 HHAF COc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Cl 587182768 SEHBNUMBDWYUHS-QMMMGPOBSA-N 416.650 3.944 0 1 HHAF CCOC(=O)[C@H]1CCN(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395485 MVCLNWQYRNVKLM-NLFFAJNJSA-N 422.525 3.757 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cccc2C(=O)c2cc(C)cc(O)c21 587405304 VQJSLANFVONBRP-DEOSSOPVSA-N 401.418 3.750 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](F)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587571242 PUENULFIVYPOAI-GSHUGGBRSA-N 415.417 3.681 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 587768145 TWJFKPFOVTXETG-BUXKBTBVSA-N 408.315 3.557 0 1 HHAF COc1ccccc1C[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587809263 SALXKAHJFRGXIW-WYRIXSBYSA-N 408.267 3.654 0 1 HHAF CCOC(=O)[C@]1(c2cccc(F)c2C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962766665 OTGZPQZGEOAPAC-YLJYHZDGSA-N 409.379 3.587 0 1 HHAF Cc1cccc([C@]2(CCC(=O)O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962975911 NFGCKTCDEKGZCH-QRWLVFNGSA-N 409.816 3.634 0 1 HHAF Cc1[nH]c2c(c1C(=O)O)[C@]1(C[C@@H](c3ccccc3)C2)NCCc2nc3ccccn3c21 962988438 OBTMMABKYHYOFY-GKVSMKOHSA-N 412.493 3.788 0 1 HHAF NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)N[C@@]13C=C[C@@H](CC1)C3)CC2 1772617604 JAEJDCYVYPEZSN-FPTDNZKUSA-N 410.905 3.541 0 1 HHAF CS(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)O)[C@@H]1c1cccc(F)c1 1857570970 LCPZWLZVXZLEFS-ROUUACIJSA-N 409.866 3.938 0 1 HHAF CCOc1ccc(F)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1 1857629810 JBDKBUQEDNLOOE-LBPRGKRZSA-N 414.886 3.969 0 1 HHAF CCOC(=O)c1ncn2c(=NCc3cc(OC)ccc3F)[nH]cc(-c3ccccc3)c12 1911573621 YAMBOUKFZCHHPE-UHFFFAOYSA-N 420.444 3.755 0 1 HHAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 42661109 FJDLFSTWDMPRTA-KRWDZBQOSA-N 401.507 3.508 0 3 HHAF CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(cccc2N2CCCC2)O1 72136177 MWRRYDOCMSCBHM-SFHVURJKSA-N 410.580 3.655 0 3 HHAF COc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccc(OC)c(OC)c3)cn2)cc1 205214573 KTZPRRALUQIWAB-UHFFFAOYSA-N 409.486 3.627 0 3 HHAF CC1(C)C[C@]2(CC(C)(C)c3ccc(O)c(NC(N)=O)c32)c2cc(O)c(NC(N)=O)cc21 5963720 NBQYMXISJVPDAX-HSZRJFAPSA-N 424.501 3.728 0 1 HHAF CCc1ccc(NC(=O)N2CCN(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1 13474776 RBMYTMOTFNHDMY-UHFFFAOYSA-N 421.501 3.564 0 1 HHAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(N)cc2)CC(=O)O1 27310445 RVMZZZQUGVALPS-BAJBADSPSA-N 405.560 3.539 0 1 HHAF COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)c4ccccc4F)C=C[C@@]31CCN(C)C2 27654786 OHFCDHNNTUYOGA-YFBXQHAESA-N 409.457 3.854 0 1 HHAF C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 42877118 OJUYKMCASYNMLF-RNCNLHMMSA-N 420.634 3.769 0 1 HHAF CCCCCC[C@@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O 45356163 ZVIGPYCYZQFMAK-QHCPKHFHSA-N 416.566 3.589 0 1 HHAF CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(O)c2)N1C(=O)C(C)C 49807677 NWQGWFQMZIAQGH-IFMALSPDSA-N 406.482 3.935 0 1 HHAF COc1ccc(Oc2nc(NCCCCCO)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 82066798 MDNJUMUSCHPZNE-IAGOWNOFSA-N 415.538 3.729 0 1 HHAF COc1cccc(-c2csc(N3CCC[C@@H]3C(=O)NCCCOC(C)C)n2)c1 82195694 RWALROSCXGVMNC-LJQANCHMSA-N 403.548 3.719 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@H](CO)N3)c1 95878062 RMCUWMYAWGUVMU-VEXUSMLFSA-N 415.493 3.747 0 1 HHAF CCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3nc-2c1O 101802135 CZKMMBCYVCTMDO-UHFFFAOYSA-N 406.511 3.713 0 1 HHAF O=C(NCCCCC1CCN(C(=O)c2cccnc2)CC1)N1Cc2ccccc2C1 166201285 CCLFUQOMROMIRD-UHFFFAOYSA-N 406.530 3.830 0 1 HHAF CNC(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167712195 YFORAGWWFMLNNX-UHFFFAOYSA-N 401.455 3.733 0 1 HHAF CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@H](c2c[nH]c3ccccc23)C1=O 169718176 VNOOXNILBJFIMU-NLFFAJNJSA-N 418.493 3.664 0 1 HHAF COc1cc(F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 225084682 IXZSJZOSZPPMOT-UHFFFAOYSA-N 416.459 3.702 0 1 HHAF C[C@H]1O[C@@H]1[C@H]1C[C@@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 238746514 DOBIJRXDCBLKRN-QDFPWEBMSA-N 404.098 3.636 0 1 HHAF O=S(=O)(Cc1nc2cc(Br)c(Br)cc2[nH]1)C1CCCC1 586925098 VOWRJMAFLJKAEQ-UHFFFAOYSA-N 422.142 3.945 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(F)cnc(Cl)c4[nH]3)CC2)cc1 586954777 IMLXTUGWMQMSDR-UHFFFAOYSA-N 408.886 3.627 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN4CCSCC4)c1)[C@@H](C2)C3=O 587454707 ZVKGAQWZSUGCEB-FDDCHVKYSA-N 411.523 3.741 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587454795 YDCHQFQBGPFHBI-UPCLLVRISA-N 418.401 3.912 0 1 HHAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597401 UVMKALZHHBSTJO-PYWFAVPRSA-N 409.438 3.876 0 1 HHAF C[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597682 VQGBYJKZUZJHTL-NFBKMPQASA-N 403.390 3.600 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3c(O)nc4cccc2c43)N1 587777928 JWWUSJPLKLMCJZ-OVWNDWIMSA-N 402.267 3.825 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834372 QZROWUQGPZAITI-PJFSTRORSA-N 414.315 3.840 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C(N)=O)cc1 587864759 ORGACFYUKUSKLH-UHFFFAOYSA-N 403.360 3.755 0 1 HHAF COC(=O)c1cccc(-c2cccc([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)n2)c1 963026761 KGXUYCZLSIYJKW-BXKMTCNYSA-N 413.477 3.678 0 1 HHAF COc1ccc([C@@H]2SCC(=O)Nc3cc4c(cc32)OCO4)cc1Br 1772594375 YHZVXDSEKUILBC-KRWDZBQOSA-N 408.273 3.961 0 1 HHAF Cc1[nH]c(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cc1C(N)=O 1772647411 HEBJGQDORMSDGL-UHFFFAOYSA-N 406.410 3.563 0 1 HHAF COc1ccc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NC2CCCCC2)cc1 1857581576 SLNWKFYROMZWKN-UHFFFAOYSA-N 406.486 3.966 0 1 HHAF O=C1O[C@@](CO)(COC(=O)c2ccc(Cl)cc2)C/C1=C\c1ccc(Cl)cc1 1857628856 NAQPRTABUZMXQG-ULXKQSRTSA-N 407.249 3.912 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289257 RYOZJKHJIXBTMY-RQTOMXEWSA-N 406.526 3.700 0 1 HHAF Cc1nc(Nc2ccc3c(c2)OCCO3)c2nnn(Cc3ccccc3Cl)c2n1 4922255 YMAWBSBIRBUXSK-UHFFFAOYSA-N 408.849 3.746 0 3 HHAF COc1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC(C)C)no2)cc(OC)c1C 61903938 YOMQAQDUQAHTRN-KRWDZBQOSA-N 415.490 3.506 0 3 HHAF CCCCS(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 13817402 ALUYOSXISWRVBJ-INIZCTEOSA-N 400.544 3.698 0 1 HHAF COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@@H]2O)CCc2cc(O)ccc2-4)ccc1O 14697274 KKBKTGYRMZXDKM-NBGIEHNGSA-N 420.461 3.918 0 1 HHAF biogenic CC(C)O[C@@H](Cc1ccc(OCCc2noc(-c3ccc(F)cc3)n2)cc1)C(=O)O 26403197 STGWLVIBJLXXID-IBGZPJMESA-N 414.433 3.918 0 1 HHAF CNC(=S)Nc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 28899376 HELDYWGCSLWANS-UHFFFAOYSA-N 412.949 3.667 0 1 HHAF C[C@H]1Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccncc3)CC4)c2O1 34984685 JQIOFPJNEBMYKB-IBGZPJMESA-N 405.542 3.923 0 1 HHAF CC(C)CNCCOc1cc(O)c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 40951096 FCAKZMIJHFHNRS-UHFFFAOYSA-N 411.454 3.561 0 1 HHAF CCCCNCCN1CCN(c2cc(OC)cc(OC)c2)C[C@@H]1Cc1ccccc1 45320046 NOJPDARVEYWICJ-QHCPKHFHSA-N 411.590 3.827 0 1 HHAF CCCc1nc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1NC(=O)Cc1ccccc1 49052858 MGWPAVRADVXNTD-UHFFFAOYSA-N 421.888 3.705 0 1 HHAF Cc1c2c(n3c1CCNC[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 72175901 BDFNVHFLLPLTRV-ZBFHGGJFSA-N 422.573 3.622 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C)c3c2)c1F 72180603 FGNXBGMZHTWQEI-UHFFFAOYSA-N 408.430 3.554 0 1 HHAF O=C(Cc1ccccc1)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72186340 XEFSSJHISOYFRI-DEOSSOPVSA-N 422.479 3.668 0 1 HHAF O=C(NCC1CCCCC1)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081255 MFSUFLAKXRWSKB-INIZCTEOSA-N 401.532 3.952 0 1 HHAF CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 82204113 BONPHKRTPRIBMU-SLFFLAALSA-N 410.566 3.512 0 1 HHAF COc1ccc(-c2nc3ncc(Br)c(OCC4CCNCC4)c3[nH]2)cc1 84618016 XVLUNMSWJVTNRP-UHFFFAOYSA-N 417.307 3.774 0 1 HHAF CCCOc1c2c(cc3oc(C4(O)CCCCC4)cc(=O)c13)O[C@H](C(C)(C)O)C2 85594497 OOMZHKCTPYGNFM-SFHVURJKSA-N 402.487 3.808 0 1 HHAF biogenic,in-vitro COc1ccc(CNC[C@@H](O)COc2ccc3c(c2)OC2(CCCC2)CC3=O)cc1 95587652 ICOVEVIVMGBDNH-GOSISDBHSA-N 411.498 3.503 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 95873217 LSOIOBVNZPBSCS-WXFUMESZSA-N 408.517 3.654 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C 104557046 YEBWVORVAAIZRK-IPGPAHLWSA-N 404.595 3.926 0 1 HHAF COc1cccc2c(NCc3ccccc3)nc(-n3c4c([nH]c3=N)CCCC4)nc12 145890693 FFEKHEAZJDFZCH-UHFFFAOYSA-N 400.486 3.728 0 1 HHAF O=c1[nH]c(Cc2ccccc2-c2ccc(Cl)cn2)nc2c1cnn2C1CCOCC1 169699903 NQESLARHULFECW-UHFFFAOYSA-N 421.888 3.777 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@H](c3ccc(F)cc3)C[C@H]2C1 253694035 AORBODFCLVZZFJ-OIISXLGYSA-N 417.912 3.820 0 1 HHAF Cc1cnc(Cl)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586970061 UDJSOYPXIPNPHR-UHFFFAOYSA-N 401.835 3.991 0 1 HHAF CCOc1n[nH]c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1Br 586979706 IGNZBHXTEINPJO-UHFFFAOYSA-N 413.279 3.946 0 1 HHAF O=C1c2ccccc2-c2cc(C[C@]3(O)C(=O)Nc4ccccc43)nc3ccc(O)c1c23 586989389 HGTLRJMMMVCAEB-RUZDIDTESA-N 408.413 3.534 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCC(O)CC1 587236942 IAALZXAJLLIURK-UHFFFAOYSA-N 401.294 3.920 0 1 HHAF O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587608355 KDZCSSAVVAWOIF-XXBNENTESA-N 402.358 3.610 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 587840906 OEWCWZITZRITMK-BMLIUANNSA-N 413.312 3.583 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(C(=O)N2CCOCC2)cc1 962371622 GYORGDAKZIPHSY-QHCPKHFHSA-N 421.566 3.707 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccc(O[C@H]2CCOC2=O)c1 962376223 UYCBJFXBTIEUMM-UNMCSNQZSA-N 408.523 3.929 0 1 HHAF COC(=O)c1c(N)sc2c1CCC[C@]21c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618016 CSLLQRCCJWWISX-YTEVENLXSA-N 416.543 3.590 0 1 HHAF OC[C@]1(c2ccc(F)cc2F)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640659 RBGMNOJTWAQDMC-SQJMNOBHSA-N 406.476 3.948 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962700611 KFHVENNTTANKJU-JRJNMRRASA-N 422.422 3.934 0 1 HHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(OC)c(OCC(N)=O)cc2Cl)N1 962959790 QQWSWBPRCPTMHR-IPQOISQHSA-N 413.905 3.708 0 1 HHAF Fc1ccc(C(OCCN2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1 1772639618 SLLZSSYGWKWYQJ-UHFFFAOYSA-N 410.468 3.683 0 1 HHAF O=C(CN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12)Nc1ccc(Cl)cc1 1857548287 JYPZLNQHXYQEMI-UHFFFAOYSA-N 417.852 3.755 0 1 HHAF Cc1c2c(ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc32)nn1C 1911579170 MSORRDDTJRIGRY-UHFFFAOYSA-N 414.300 3.827 0 1 HHAF CC1=C[C@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356300291 GJIRBPZTNGYZIV-VWPQPMDRSA-N 414.594 3.731 0 1 HHAF O=c1c2c(n3nnnc3n1Cc1ccccc1)-c1cc(F)ccc1CC21CCCCC1 199230186 IMEBVNXFFZOWQK-UHFFFAOYSA-N 415.472 3.898 0 3 HHAF C[C@H](CCc1ccccc1)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O 3053689 FNGOTFWZRBTMBS-MRXNPFEDSA-N 417.912 3.854 0 1 HHAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4054055 UWZVKHFRBSNFTG-BGWNEDDSSA-N 416.477 3.637 0 1 HHAF O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4081668 DEOCSBSDPUVFFT-SBHAEUEKSA-N 410.857 3.875 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152928 QVXCJJIRAHDKQA-SQVLJLFZSA-N 408.498 3.597 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CC(=O)NC[C@H]1CCCO1)[C@@H]2O 13681922 UPLQUPWXNBLNQX-STFZJMHPSA-N 413.558 3.521 0 1 HHAF Cc1c(C(=O)OCCCO)cc2ccc3c(c2c1-c1ccc2c(c1)OCO2)OCO3 28114525 XGFJAKUQBAAMRO-UHFFFAOYSA-N 408.406 3.812 0 1 HHAF C[C@@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(Br)cc1 28522020 GWACVPMFAVTUHD-NSHDSACASA-N 419.300 3.847 0 1 HHAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NCCN1CCCC1 29047049 YFVPVMOZMJZZTP-UHFFFAOYSA-N 416.525 3.756 0 1 HHAF O=S(=O)(NCCCCO)c1ccc(-c2ccc(F)cc2F)c(C(F)(F)F)c1 40575405 YXJLBOVGJHQAPR-UHFFFAOYSA-N 409.376 3.701 0 1 HHAF COc1ccc(N(C(C)=O)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1 40845877 XYAZHOGSJDVHKT-QFIPXVFZSA-N 414.477 3.996 0 1 HHAF CCCCN(Cc1cccc(F)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40918578 RZPJTSFCJURVJY-QFIPXVFZSA-N 418.463 3.886 0 1 HHAF Cc1nc(N(C(=O)c2ccco2)C(=O)c2ccco2)c2nn(-c3ccccc3)cc2n1 95581918 VHWUPCVBJXESFO-UHFFFAOYSA-N 413.393 3.797 0 1 HHAF C[C@H]1CCC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 118687374 KUQPGEGIXJVINV-DLBZAZTESA-N 409.465 3.511 0 1 HHAF Cc1cc2ncc(N3C[C@H](CN)[C@@H](c4ccc(Cl)cc4Cl)CC3=O)c(C)n2n1 169312430 BBXONIJPHKIUGA-BBRMVZONSA-N 418.328 3.748 0 1 HHAF COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2C(N)=O)ccn1 169330392 XYVZIKKEHGZJOS-UHFFFAOYSA-N 419.485 3.513 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1 169706976 MHDWRVPLPQMCTJ-KRWDZBQOSA-N 406.461 3.706 0 1 HHAF COc1c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccnc1N1CCCC1 169709372 CQCRSOWLMBDUBD-LAUBAEHRSA-N 424.545 3.545 0 1 HHAF CCOc1n[nH]c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1Cl 587065619 VWVITICETYKLSM-UHFFFAOYSA-N 424.029 3.658 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095358 FNUNTCGEZQEMFR-UHFFFAOYSA-N 412.437 3.909 0 1 HHAF NC(=O)c1cccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587113977 OWYSUGCEHLZICW-UHFFFAOYSA-N 408.405 3.553 0 1 HHAF O=C1c2ccc(O)cc2OC2(CCN(c3ncccn3)CC2)[C@H]1c1ccc(F)cc1 587344319 NJFATKZADFLJRL-FQEVSTJZSA-N 405.429 3.719 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)O2 587395837 OQZZVONLDMARIO-MKRMIXIUSA-N 401.507 3.715 0 1 HHAF Nc1ncc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543783 JKGNVBFCDRJBKU-MAUKXSAKSA-N 413.227 3.835 0 1 HHAF Cn1cccc1C1(c2cccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576012 HIZZGBQTTCITMO-OAQYLSRUSA-N 400.434 3.975 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C(=O)C2 587582137 KCSIPFBPQNTBDO-WIOPSUGQSA-N 415.445 3.915 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)o1 587582930 PNTFLLYETGRKEK-NFBKMPQASA-N 407.422 3.649 0 1 HHAF CCOC(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590434 YIXIWIVDPZMOOS-NZQKXSOJSA-N 405.406 3.598 0 1 HHAF CC(C)(O)c1ccc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962670363 QLULWFUXOGBSQY-JWQCQUIFSA-N 404.510 3.824 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc3c(c2)C2(CC3)OCCO2)N1)C(F)(F)F 962760480 FGMUVELTGQUUML-OALUTQOASA-N 403.400 3.568 0 1 HHAF CC(=O)Nc1ccc(NC2=C[C@]3(CCC2)N[C@H](C(=O)O)Cc2cccc(F)c23)cc1 962904575 WCBOXLLKTFXPLW-REWPJTCUSA-N 409.461 3.758 0 1 HHAF CC[C@@H](C)[C@]1(C(=O)O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963452659 YMMDVNQDGGLISB-LTJBIVKBSA-N 420.465 3.646 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@H](O)C1 1772649753 XNNRRBJEMZEYGE-AWEZNQCLSA-N 403.360 3.648 0 1 HHAF COc1ccc2nc(C[C@H]3CN(C(=O)Nc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356541964 JBMNMOLXHLJQAT-CVEARBPZSA-N 422.485 3.759 0 1 HHAF COC(=O)c1ccc([C@@]2(C)CCCC(C)(C)C2)c2c1CN(CC(=O)O)C(=O)[C@@H]2C 2356796024 MSTQSHIHGIEVOX-FATZIPQQSA-N 401.503 3.861 0 1 HHAF CCCc1c(OCCCCOc2ccc(-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O 3962982 FEEONEKLFGDWHR-UHFFFAOYSA-N 410.474 3.965 0 1 HHAF in-vitro CC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O 5833573 XAPZYJFLCOBOIV-WCQYABFASA-N 408.227 3.569 0 1 HHAF O=C(Cc1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 12360851 NJMROBZSRXDBRH-RUZDIDTESA-N 424.456 3.931 0 1 HHAF COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C)c3n2)cc1 13470831 AIZOQFMMLHFHMM-UHFFFAOYSA-N 404.474 3.605 0 1 HHAF CN1CCc2ccccc2[C@H]2c3cc(O)c(I)cc3CC[C@@H]21 13799785 IVGSTXXJKUDQDU-HKUYNNGSSA-N 405.279 3.931 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H]1OC[C@H](C2)[C@H]1C 15274118 JLMUSMSEIUWJJB-POEZALAKSA-N 416.470 3.982 0 1 HHAF biogenic,in-vitro COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H]1CO[C@H]2[C@H]1C 15274125 DWYDOSXEQLNVAO-DJHSXXLPSA-N 400.427 3.693 0 1 HHAF COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccc4)n3)cc2)cc1 26384254 QQTCSGVQYWSPHT-UHFFFAOYSA-N 420.494 3.931 0 1 HHAF C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1cccc(C(=O)c2ccccc2)c1 29135015 WPJSPPIENFHKJO-VGOFRKELSA-N 401.462 3.833 0 1 HHAF COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C 34517634 YKYVQVVITOKCCL-AOKVBNASSA-N 404.503 3.608 0 1 HHAF CN(C)CCN(C)Cc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 66101904 YVZYTWQZGQNPAY-UHFFFAOYSA-N 422.554 3.542 0 1 HHAF COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 82071789 CJDNUTVTVOSDAB-IBGZPJMESA-N 410.495 3.855 0 1 HHAF O=C(N[C@@H](CO)COCc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1 82085959 ZNLKPQYSKQPQKZ-NRFANRHFSA-N 402.450 3.802 0 1 HHAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CCS3(=O)=O)CC1 84690793 CYNURBUBXQDYMK-UHFFFAOYSA-N 408.564 3.856 0 1 HHAF CCCC[C@@H]1OC(=O)c2cc(NC(=O)c3ccccc3OCCO[N+](=O)[O-])ccc21 95603818 GNXSOASXCSUCJF-IBGZPJMESA-N 414.414 3.928 0 1 HHAF Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(C(F)(F)F)cc1 118624492 CTGPUFQNQVNVGF-DLBZAZTESA-N 411.387 3.974 0 1 HHAF CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)c(OC)c4)ccc1c23 169308104 CSCNKXNQAPIIDE-UHFFFAOYSA-N 412.467 3.638 0 1 HHAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3c2OCC3)cc1 225961567 OTXUNRAPRGQMRT-IZZDOVSWSA-N 406.463 3.501 0 1 HHAF C[C@H]1Cc2c(nnn2-c2ccn[nH]2)[C@@H](C)N1C(=O)c1cccc(C(F)(F)F)c1Cl 225980570 IQRKGPSJDGZJEV-VHSXEESVSA-N 424.814 3.811 0 1 HHAF C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 299811705 TWGHXVKHVUGVCO-RELKHGDOSA-N 410.466 3.648 0 1 HHAF COC(=O)CN1Cc2c(ccc([C@@]3(C)CCCC(C)(C)C3)c2[C@@H](C)C(=O)O)C1=O 299819819 BLMWJDYVYQGMIM-FATZIPQQSA-N 401.503 3.861 0 1 HHAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2n1 299879757 LFDIHGUJUJLZQP-WOSRLPQWSA-N 402.564 3.699 0 1 HHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 586936112 HGJYOCJMNJPYOC-GOSISDBHSA-N 421.906 3.663 0 1 HHAF CC[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)n1cc(I)c(C)n1 587185501 VDUIASJGMXUODI-AWEZNQCLSA-N 406.231 3.548 0 1 HHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Cl)c(Br)cnc3[nH]1)C2 587247598 UMOGEPOKRGUIMV-KRWDZBQOSA-N 407.699 3.725 0 1 HHAF Cn1ncc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538798 GNAFALRUXSPILI-BEFAXECRSA-N 415.243 3.765 0 1 HHAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587552664 BUNDTWAJIMJNSU-GHTZIAJQSA-N 414.410 3.638 0 1 HHAF O=C(O)c1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c2c1 587592318 GOINUDKBMSAGBR-LAUBAEHRSA-N 402.362 3.670 0 1 HHAF COC(=O)CC[C@]1(c2ccccc2N)N[C@H](C)Cc2cc(Br)c(F)cc21 587750993 VVIYMPPHCHHVJS-MPBGBICISA-N 421.310 3.901 0 1 HHAF CCn1nccc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587759407 KUUYJXGEPBZVFE-AWYQIVDJSA-N 407.331 3.658 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1CCOCC1 587859660 KPJFEHCPUYEYOR-CYBMUJFWSA-N 412.317 3.864 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963708 QTULCUDFUIGLDD-UONOGXRCSA-N 413.499 3.530 0 1 HHAF COc1cccc2cc3c(nc12)[C@@](C)(CC(=O)Nc1ccc(NC(C)=O)cc1)NCC3 963062940 YGKVWVSYUUMBNC-XMMPIXPASA-N 418.497 3.592 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2C2(N1)[C@H]1CC3C[C@H]2CC(O)(C3)C1 963200046 XGVWASDLPQXFDH-UUWXPCDHSA-N 415.839 3.724 0 1 HHAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc21 2356734295 DAZINPNTLZFBLW-PKOBYXMFSA-N 420.431 3.720 0 1 HHAF COc1cc(OC)cc(-n2nc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3c2=O)c1 13110875 IGJPYMPOZGPXNG-IYBDPMFKSA-N 421.497 3.521 0 3 HHAF O=C(NCC1CCN(C(=O)C(=O)c2cccs2)CC1)c1ccc2ccccc2c1 199720764 MLVDMDPVBMQBOP-UHFFFAOYSA-N 406.507 3.753 0 3 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@H](C(C)=O)[C@@H](N4CC4)C[C@H]32)C1 263591339 WRCFYFRXAYMSAE-BSEDHQTPSA-N 415.574 3.639 0 3 HHAF Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(c2ccccc2)CC1 6803098 IJCBVSROZHDECE-UHFFFAOYSA-N 411.509 3.934 0 1 HHAF CSc1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C 13447750 LNUGXHAKACPLMW-UHFFFAOYSA-N 401.491 3.959 0 1 HHAF CCCCOC(=O)[C@H](CCCC)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 27739984 VESDDTHMRCVBTQ-VQTJNVASSA-N 420.550 3.956 0 1 HHAF O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)ccc(Cl)c21 28524025 BJWONGXVVAAEEW-UHFFFAOYSA-N 410.326 3.595 0 1 HHAF c1ccc(COc2ncccc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1 28569861 ZPGMSJXEUJGAOK-UHFFFAOYSA-N 403.398 3.620 0 1 HHAF NCCCC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 43204885 SXZGRKDCSDLPKD-FQEVSTJZSA-N 403.454 3.576 0 1 HHAF CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccccn2)c[nH]1 45497980 VAUISCYVSBRTQO-FQEVSTJZSA-N 411.550 3.510 0 1 HHAF Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3F)c2n(C)c1=O 49070336 GYWNOAVEKDTRBQ-UHFFFAOYSA-N 416.456 3.731 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F 82196613 ICAQLNUIBNJXDJ-ZYLTWTEYSA-N 424.516 3.637 0 1 HHAF O=C(Cc1ccccc1)N1C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 96169498 HTXFDSBQYUYZIF-QFBILLFUSA-N 418.415 3.639 0 1 HHAF O=C1C[C@H](c2cccc(Cl)c2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 103155060 VGLQUKSDPVKGRT-LJQANCHMSA-N 418.324 3.616 0 1 HHAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6[nH]ncc6c5)n4)CCC3)cn2)cn1 114768186 RZMMYWOGWXTTOQ-UHFFFAOYSA-N 410.441 3.517 0 1 HHAF COc1ccc(OC)c(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)oc23)c1 118275929 BPOOJMWGXNBWGA-FQEVSTJZSA-N 406.482 3.941 0 1 HHAF O=C(c1ccc(Oc2ncccc2N2CCOCC2)cc1)c1nc2ccccc2[nH]1 139526547 IXRXLSPAJNTKDS-UHFFFAOYSA-N 400.438 3.818 0 1 HHAF CC(C)C(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccccc4C3)cn2)CC1 166009471 LNRGPMYPQWBDOR-UHFFFAOYSA-N 408.502 3.655 0 1 HHAF CNS(=O)(=O)c1ccc(C)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 204189999 AHFLYDUGDUTYTN-UHFFFAOYSA-N 403.895 3.834 0 1 HHAF O[C@H](COc1cccc(-c2ccc3c(c2)OCCO3)c1)CN1CCc2ccccc2C1 218390067 JBSRXEDGGPIDOA-QHCPKHFHSA-N 417.505 3.923 0 1 HHAF O=c1ccnc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1Cc1ccccc1 299819977 FJPRCIGXYORUGN-UHFFFAOYSA-N 417.490 3.759 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586886183 DXDRRJKGKSGCHK-QRWLVFNGSA-N 401.532 3.739 0 1 HHAF COC(=O)c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cn1 586960953 REWPMZVMPWZKMF-GDLZYMKVSA-N 405.479 3.783 0 1 HHAF Cc1ccc(-c2nnc(SCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)n2C)cc1 586965288 HXZXOTLALSYHLP-UHFFFAOYSA-N 404.499 3.844 0 1 HHAF N[C@H](Cc1cscn1)c1nc2c(Br)ccc(Br)c2[nH]1 587028477 QIYUJEGRCUGDCD-SECBINFHSA-N 402.115 3.787 0 1 HHAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068113 HLGUKZNASQICHH-UHFFFAOYSA-N 401.879 3.524 0 1 HHAF Cc1cc(Br)cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127357 QYNJCOFHZRLCPW-UHFFFAOYSA-N 420.210 3.989 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cnc2[nH]1)C[C@H]1CCCO1 587195983 LVNASOMKEWBIPR-GFCCVEGCSA-N 411.300 3.637 0 1 HHAF COc1cc([C@]2([C@H](C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587355394 XNPNJVVOEGFEFS-XGHFZOJJSA-N 424.424 3.881 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(CC(=O)O)ccc21 587410142 YLEQXYYWNAEWER-VWLOTQADSA-N 413.429 3.658 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)O)nc1-c1ccccc1)CC2=O 587478962 XHFHRZYPQWESSB-FQEVSTJZSA-N 406.438 3.999 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N1CCc3cccc2c31 587590983 TZUJCJAELNAOQQ-OFVILXPXSA-N 413.429 3.932 0 1 HHAF C[C@@]1(c2cc(Br)cs2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228145 NIZWYLKOKRYBST-CRAIPNDOSA-N 403.301 3.921 0 1 HHAF O=C(NCCc1ccc(Cl)cc1)[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772631306 ZAABXXFIFMTBCZ-WKILWMFISA-N 422.920 3.892 0 1 HHAF COc1cc(C(=O)c2cnn(-c3cccc(Cl)c3C)c2N)cc(OC)c1OC 1857774850 CROVYJAZWXAOKK-UHFFFAOYSA-N 401.850 3.673 0 1 HHAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356512461 ULPAZQCNVCNESL-KSZLIROESA-N 404.518 3.575 0 1 HHAF CCCCNC(=O)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 199395846 ZGRQTDGAGWVRHK-QGZVFWFLSA-N 406.404 3.603 0 3 HHAF O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4081665 DEOCSBSDPUVFFT-DYXWJJEUSA-N 410.857 3.875 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C 13398002 WQOZGNFAVRFSGE-YCBHNOOCSA-N 416.514 3.626 0 1 HHAF in-man Cc1ccccc1Oc1cccc(CCC[C@@H](P(=O)(O)O)S(=O)(=O)O)c1 13746408 GNISWKIMKYNPEI-KRWDZBQOSA-N 400.389 3.502 0 1 HHAF CC(C)CCNC(=O)c1ccc(N2CCC(Oc3cccc(F)c3F)CC2)nn1 28655323 LNMJMHYQUZIXLW-UHFFFAOYSA-N 404.461 3.579 0 1 HHAF CN1CCN(C[C@H]2CCCCN2C(=O)Cc2csc3ccc(Cl)cc23)CC1 29043268 UUTHLQDFXZRFKP-GOSISDBHSA-N 405.995 3.726 0 1 HHAF Cn1cnc2c(NCCCO)nc(-c3cccc(NC(=O)Nc4ccsc4)c3)nc21 49046161 SLSMIBVXRQZSHI-UHFFFAOYSA-N 423.502 3.530 0 1 HHAF CC(=O)N1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1ccc(C(F)(F)F)cc1 66262132 JASZFHGWCOIQKG-GOSISDBHSA-N 410.417 3.807 0 1 HHAF CCN(CC)C(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72184479 HTXJHSGDEVQZBO-HXUWFJFHSA-N 401.942 3.735 0 1 HHAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCc1ccccn1 82084023 PHOKUZYFYJCOMV-MRXNPFEDSA-N 415.449 3.794 0 1 HHAF CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188400 QDUZFBXQWXKYMW-OAHLLOKOSA-N 418.501 3.746 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 82198586 DDNRBBWLNDEZIK-LGIXLWHXSA-N 400.563 3.876 0 1 HHAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@H](O)CCCCc1ccccc1 95613241 FHWDBURJDRCBLO-JQRAGONESA-N 416.558 3.876 0 1 HHAF Cc1cccc(NC(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)c1C 103902732 WRDGGBSIWMGMNC-QLYXXIJNSA-N 423.557 3.581 0 1 HHAF O=C(CC1CC1)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166284551 SKKBHNUQSAPEFR-UHFFFAOYSA-N 420.513 3.799 0 1 HHAF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169692944 WIYUZYBFCWCCQJ-FSAHKVHBSA-N 414.505 3.573 0 1 HHAF CCn1cc(-c2cc3c(-c4cccc(N[C@@H]5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1 205262880 BSOSQKZSTMNSEC-JKSUJKDBSA-N 402.506 3.585 0 1 HHAF CC(=O)OC[C@]1(C)[C@H]2CC[C@@]3(C)c4cocc4CC[C@@H]3[C@@]2(C)CC(=O)[C@@H]1OC(C)=O 238774934 QADJOKWXGQGSAA-RXOWOHSCSA-N 416.514 3.990 0 1 HHAF Cc1csc([C@](O)(Cc2nc3ccc(Br)c(O)c3[nH]2)C(F)(F)F)n1 587094312 PINZDAPAYNJDGF-CYBMUJFWSA-N 422.226 3.789 0 1 HHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(I)cnc2[nH]1 587151581 RTIDPOCZPQRLCA-SSDOTTSWSA-N 401.154 3.981 0 1 HHAF O=C(/C=C/c1nc2c(I)cnc(Cl)c2[nH]1)Nc1ccccc1 587243830 JCZPOABRUQDXCJ-VOTSOKGWSA-N 424.629 3.868 0 1 HHAF CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427534 IJIVFHBXBBOLBD-WAIKUNEKSA-N 423.396 3.690 0 1 HHAF C[C@]1([C@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582176 YNKDTBXTDAQAEA-AAIMPIBUSA-N 418.405 3.886 0 1 HHAF CCOC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587587738 OEDHSUSJODUSQK-XXBNENTESA-N 405.406 3.841 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)O 587595907 PTZIRWGREOZZMB-NFBKMPQASA-N 422.389 3.567 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(C(F)(F)F)N1 587705485 MTXIHSCTSULMIV-RFAUZJTJSA-N 404.205 3.913 0 1 HHAF CCOc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587794313 MFRLESBDPYMQEY-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF Cc1cncc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)n1 653850846 WSFXDIIZYMRFBH-UHFFFAOYSA-N 402.433 3.705 0 1 HHAF Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)O)cc1CCc1ccc(O)cc1 653864038 KERNQJZABSPYRT-QHCPKHFHSA-N 418.493 3.575 0 1 HHAF C[C@@H](C[C@@]1(c2cccc(CO)c2)c2ccsc2CCN1Cc1cccn1C)C(=O)O 962401136 VNCCHKFWCMGTMW-BXKMTCNYSA-N 424.566 3.992 0 1 HHAF CC(C)[C@H]1CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1 1857578450 XRBFCCGEZNWCSU-GOSISDBHSA-N 401.942 3.784 0 1 HHAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@@H](O)[C@H]2CC(=O)Nc1cccc2ccccc12 2356353192 JSVFQDLQYSSUGR-UNKOTAEJSA-N 411.542 3.715 0 1 HHAF CN(Cc1nccs1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12308643 IVKARNIRXRCUDQ-UHFFFAOYSA-N 422.554 3.854 0 3 HHAF CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)c1C 12711401 CTEGCUBPCGBIMC-QHCPKHFHSA-N 424.589 3.682 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccc(Cl)cc1 72122010 GEBLYQLRVYWZNC-SFHVURJKSA-N 409.866 3.714 0 3 HHAF CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 756202 DXRQJCSUJVNSGX-IBGZPJMESA-N 411.571 3.997 0 1 HHAF COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Br)ccc2NC1=O 3994462 SUWPUSKBBVPKJI-INIZCTEOSA-N 419.250 3.700 0 1 HHAF O=C(O)CCCCC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730218 SHYBZZCSPUTWDK-MRXNPFEDSA-N 410.923 3.832 0 1 HHAF CCCc1nc(C(=O)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745645 HFTHXQBUJNFWTN-UHFFFAOYSA-N 408.410 3.646 0 1 HHAF CCOc1cc2oc(=O)c3c(c2cc1OCC)CCN(C[C@@H](C)N1CCCCC1)C3 27732758 NKEXTKDSXUWBQP-QGZVFWFLSA-N 414.546 3.823 0 1 HHAF O=c1c(/C=C/c2ccccc2Cl)c(N2CCN(Cc3ccc(F)cc3)CC2)c1=O 49033869 SFZQBYQOKPZXNO-JXMROGBWSA-N 410.876 3.568 0 1 HHAF CC(=O)NCCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 82179963 HIWFTVSTWQNHBV-UHFFFAOYSA-N 420.542 3.736 0 1 HHAF CC(C)(C)NC(=O)[C@H](c1cn[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95595771 PKAPNSMUPSWCCR-IBGZPJMESA-N 423.517 3.998 0 1 HHAF O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95878768 FVYMDQNVOKPIEP-KKXDTOCCSA-N 405.267 3.578 0 1 HHAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCNCC2)C1=O 140570689 FSKJHDYTJDGTJD-UNMCSNQZSA-N 410.606 3.555 0 1 HHAF NC(=O)c1ccc(-c2cccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)cn1 146307789 PZAZNWWFSGCNFA-GASCZTMLSA-N 417.494 3.874 0 1 HHAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1 207178621 CMRIIDVXEGRYJU-UHFFFAOYSA-N 418.346 3.576 0 1 HHAF CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1 217858447 SRVMCTQCWVQBNL-UHFFFAOYSA-N 421.504 3.928 0 1 HHAF C[C@H]1CC[C@H](COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 261073305 AKYZVXSRYSGZLL-SHTZXODSSA-N 424.538 3.589 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)cc1 586941430 STMQHWTXKBFUDJ-MDZDMXLPSA-N 406.305 3.724 0 1 HHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cnc2[nH]1 586971902 APGOIUKYOYNFCW-HNNXBMFYSA-N 405.321 3.831 0 1 HHAF CCOC(=O)Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144042 HQZKKOYWXBLGDB-OAHLLOKOSA-N 420.282 3.813 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4cc(Br)ncc4[nH]3)c2Cl)c1 587160307 APFLMERHOQOLBH-UHFFFAOYSA-N 407.634 3.820 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccc(Br)n1)O2 587371452 FNQKVMWMICGKTD-FQQSSWHASA-N 402.292 3.671 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(Br)cc21 587457503 JEJDYRNIAOAHHA-IBGZPJMESA-N 402.244 3.920 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O 587476393 OVVAFSKWTBVISR-AUSIDOKSSA-N 417.502 3.847 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)OCC)Oc3cc(O)ccc31)CC2=O 587485618 IXBOFNHUGXIPBD-QHCPKHFHSA-N 410.422 3.750 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2c(c1)CCC2 587602644 IYIICTDSWLLLPG-GBXCKJPGSA-N 402.402 3.823 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)cnn2C)N1 587676883 GMYQORXTROJYNC-GLEZIHRCSA-N 417.120 3.882 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587727028 BEBQFFOBKOFHKJ-UGZDLDLSSA-N 422.225 3.866 0 1 HHAF CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587761708 CKPBUNJKHKOJBZ-BUXKBTBVSA-N 424.314 3.536 0 1 HHAF NS(=O)(=O)c1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784667 UHUHPNCINJCYSM-KAMYIIQDSA-N 405.479 3.960 0 1 HHAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CC(F)(F)C5)cc34)cc2)cn1 653737456 APIRNJQTJSYXTA-UHFFFAOYSA-N 407.424 3.645 0 1 HHAF CCn1ncc([C@]2(CC(=O)C(F)F)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1C 962638642 XDSQDRHRIYGBAZ-DMZKTXOQSA-N 421.488 3.573 0 1 HHAF CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)NCCc2cc3cccc(OC)c3nc21 963061870 YUJBLUNFXIKBMQ-QGZVFWFLSA-N 418.362 3.735 0 1 HHAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3cncn3C)nc(Cl)nc21 963927874 HFIAJWNUWQTIMU-SFHVURJKSA-N 423.908 3.652 0 1 HHAF O=C(Nc1nc2c(s1)C[C@@H](O)CC2)N1CCC(c2noc3ccc(F)cc23)CC1 1772577743 VBTAHQJOCMSDHL-ZDUSSCGKSA-N 416.478 3.685 0 1 HHAF Cc1cn([C@H]2CCCN(C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)nc1O 1772638871 BVKFKVFHWLHFGJ-SFHVURJKSA-N 405.454 3.527 0 1 HHAF C[S@@](=O)c1cccc(Nc2cnc3ccc(-c4cccc([S@@](C)=O)c4)nn23)c1 1857542619 XWPWVNMKBKNICN-VSGBNLITSA-N 410.524 3.615 0 1 HHAF C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1cc(F)ccc1Cl 1857550829 JUZDONPETIZRGQ-SUMWQHHRSA-N 413.880 3.919 0 1 HHAF COC(=O)C1=C(N)Oc2ccc(Br)cc2[C@@H]1CC(=O)c1ccccc1 1857649872 XLSACJABOJTEOV-AWEZNQCLSA-N 402.244 3.541 0 1 HHAF OC[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3c(-c4ccsc4)ncnc32)[C@@H](F)[C@@H]1O 1857770692 BPVVZXYFAJXONA-ZSFPCNDZSA-N 419.865 3.555 0 1 HHAF O=C(NCCCc1nnc(C2CC2)n1-c1ccc(F)cc1)NC1CCC(F)CC1 1911580957 VCBNIRZEDSVVIS-UHFFFAOYSA-N 403.477 3.796 0 1 HHAF CN[C@H]1C[C@H]2c3[nH]c4cccc(-c5cccc(C)c5)c4c3CCN2C(=O)[C@H]1[C@H](C)O 203467436 VULCASPSGRACEW-JNHSIYEJSA-N 403.526 3.558 0 3 HHAF CC[n+]1c(C)c(C(=O)OC(C)C)c(-c2ccccc2Cl)c(C(=O)O)c1C(=O)O 3870716 HMSIYRVIPQHZBI-UHFFFAOYSA-O 406.842 3.584 0 1 HHAF in-vivo CCCn1c(=O)c2c(nc3[nH]c(C4CCCCC4)cn32)n(Cc2ccccc2)c1=O 13648069 FSHOAOFFSOLCBW-UHFFFAOYSA-N 405.502 3.645 0 1 HHAF CS(=O)(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 13744989 YKIRCJJHYFQESU-LJQANCHMSA-N 417.527 3.918 0 1 HHAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c2n[nH]c1C(=O)NC[C@@H]1CCCO1 28525644 VCYHUCFEOYVTLC-AHCJEMFMSA-N 421.541 3.594 0 1 HHAF CSc1ccc(CCOCCOc2ccc(OC[C@@H](O)CNC(C)C)cc2)cc1 29348091 LADORASEDLLOPA-FQEVSTJZSA-N 419.587 3.784 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@H]2CC[C@@H](O)Cc2ccc(F)cc2)cc1 36160092 ZSPAEDJDADQTKU-FGZHOGPDSA-N 413.489 3.831 0 1 HHAF CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@@H](c2c[nH]c3ccccc23)C1=O 49864947 VNOOXNILBJFIMU-NBGIEHNGSA-N 418.493 3.664 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccc(F)c1)CC2 58678551 VTESATXDAMBSLY-PPJWLVRDSA-N 422.544 3.952 0 1 HHAF CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 71281296 LLFWZIMOSVKVRW-UHFFFAOYSA-N 417.962 3.669 0 1 HHAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN([C@@H]3CCCNC3)C2)c2ccccc21 73224359 ABNVVKAVWJYHCL-KBMIEXCESA-N 418.516 3.663 0 1 HHAF in-vitro CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 82069643 XAAVSOIXUJZJPW-SFHVURJKSA-N 414.502 3.862 0 1 HHAF Fc1cccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)c1 82179539 VISWGPBKUNDRKJ-IBGZPJMESA-N 418.476 3.861 0 1 HHAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(C)CC1 95662829 JJIADWQFFYIUHW-QHCPKHFHSA-N 419.569 3.700 0 1 HHAF O=C(O[C@@H](Cn1nnc2ccccc21)C(=O)c1ccc(Cl)cc1)c1cccnc1 103293223 FFRTXCBGESSDGO-IBGZPJMESA-N 406.829 3.588 0 1 HHAF NC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cncnc3)cc12 117797486 NZVBDKMMLGEBPO-XMMPIXPASA-N 412.449 3.642 0 1 HHAF Cc1c([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)nnn1-c1ccccc1 142076895 NVMFPCJZNORIFN-RHSMWYFYSA-N 407.478 3.520 0 1 HHAF CCc1nn(-c2ccccc2)c2nc(C3CCN(c4ccncc4)CC3)nc(O)c12 150041714 JFVCWEQHUHVPED-UHFFFAOYSA-N 400.486 3.863 0 1 HHAF CC(C)COC(=O)NC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O 169687384 WBRHGMNHQLDXNU-XOBRGWDASA-N 404.850 3.761 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCC[C@H]1CO)C(=O)N2 219412775 KDQDHNOXXILEMY-CYFREDJKSA-N 403.482 3.611 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 586939571 WNKOVECZPJQICS-KRWDZBQOSA-N 403.895 3.768 0 1 HHAF Cc1nc(N(C)C)ncc1-c1nc2c(Br)ccc(Br)c2[nH]1 587194357 DZQWJBPMIYVUTE-UHFFFAOYSA-N 411.101 3.919 0 1 HHAF Cc1nc(O)c(C(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341179 VNVOKBIKIVMCKA-XXBNENTESA-N 423.396 3.913 0 1 HHAF COc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595401 NKIQRCJWQUJRIA-OFNKIYASSA-N 422.389 3.567 0 1 HHAF O=C1C[C@]2(C[C@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598909 YWIJMPKSPQYJPR-WVBBGBOVSA-N 415.445 3.614 0 1 HHAF CC(=O)NCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613381 OMQJJYWYNFNKGS-KNQAVFIVSA-N 409.463 3.967 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(-c3ccccc3)nn2)N1 587758234 IDNNNGOMXHSFBH-BLVKFPJESA-N 401.283 3.967 0 1 HHAF CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)n2ncnc2N1C 587796832 QTBWENIUWIXVCR-AXTBBGANSA-N 420.330 3.914 0 1 HHAF O=C(c1cccc(Oc2ncccn2)c1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2 618017065 AUWUBUAOGJKRID-QHCPKHFHSA-N 416.437 3.510 0 1 HHAF CCC[C@H](C(=O)OCC)[C@@]1(C(=O)OCC)c2cc(OC)ccc2CCN1C(C)C 962092078 OXEFMPZKUAVCKZ-XXBNENTESA-N 405.535 3.700 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(N4CCCC4)nc3F)N12 962645949 SGQNFWKUPIKHAY-YKSBVNFPSA-N 420.488 3.557 0 1 HHAF Cc1c(O)ccc2c1[C@@](c1ccccc1)(c1cccc3cc(O)[nH]c13)N[C@H](C(=O)O)C2 963507047 HLKUOTAGIRUHGM-UQBPGWFLSA-N 414.461 3.778 0 1 HHAF Cc1ncc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCCC(F)(F)C2)cn1 1772576469 ZYZLNCIMNDKMLA-MRXNPFEDSA-N 412.843 3.780 0 1 HHAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 2356305847 MLFTWGVCVKRXDY-SJORKVTESA-N 411.477 3.866 0 1 HHAF CCCCN(C)c1c(C)nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn12 61897023 IHOOBWAEHGAWMV-UHFFFAOYSA-N 410.518 3.696 0 3 HHAF CC(C)n1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 61969783 XKEWTSHOQHOAEM-OAQYLSRUSA-N 415.969 3.544 0 3 HHAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NCCC3=CCCCC3)sc2n1 753828 YHEWWBHWLXVXGN-UHFFFAOYSA-N 400.548 3.765 0 1 HHAF CN(C)CCCn1c(Cn2nc3ccccc3n2)nc2cc(C(F)(F)F)ccc21 1656593 DAHFALSQXWKKCL-UHFFFAOYSA-N 402.424 3.800 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO 4212707 KQIJICFTOGDRGS-FGZHOGPDSA-N 404.551 3.949 0 1 HHAF CC(C)N(C)C(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 14970744 CDUBDPSLROHHKZ-UHFFFAOYSA-N 420.517 3.897 0 1 HHAF CC(C)(C)c1ccc(Oc2cccc([C@H]3SCC(=O)N3[C@@H](CO)C(=O)O)c2)cc1 27844164 YXADBSCDIIFGMH-AZUAARDMSA-N 415.511 3.796 0 1 HHAF CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1 29043084 QTFCKBFCXDAZIU-UHFFFAOYSA-N 418.862 3.749 0 1 HHAF in-vivo COc1cc(NS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc(OC)c1OC 40835961 PZNIMOSPOWSNSY-UHFFFAOYSA-N 413.455 3.543 0 1 HHAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1cc(Cl)ccc1Cl 68576359 MERHYESVLVYJNW-UHFFFAOYSA-N 403.209 3.692 0 1 HHAF biogenic O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccco1)N1CCOCC1 82142239 UEGIXTJCRMHQQF-UHFFFAOYSA-N 412.877 3.517 0 1 HHAF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 82152176 LMBKAEBYCAWVAI-IYBDPMFKSA-N 400.498 3.849 0 1 HHAF O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1cn(Cc3ccccc3)cc1-2 95579901 YJXDQCKLAWSJOX-UHFFFAOYSA-N 416.502 3.823 0 1 HHAF COc1cccc(C2=C(C(=O)OCCc3ccc(OC)c(OC)c3)CN(C)CC2)c1 95597824 CFMJMIZRQPJLSM-UHFFFAOYSA-N 411.498 3.587 0 1 HHAF O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95794750 DZMCXYVTJFWCML-ZEQRLZLVSA-N 422.544 3.947 0 1 HHAF O=C(O[C@H](Cn1nnc2ccccc21)C(=O)c1ccc(Cl)cc1)c1cccnc1 103293225 FFRTXCBGESSDGO-LJQANCHMSA-N 406.829 3.588 0 1 HHAF COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3oc(C)nc3C)n3nccc3n2)nc1 148599110 MBVXUMJOGWJZBK-WBVHZDCISA-N 420.473 3.532 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2C)c1 169707182 UEKPEJQOQGCDBS-IBGZPJMESA-N 402.498 3.875 0 1 HHAF COc1cc(F)ccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12 205423076 CEKBSYAAPZUBEG-UHFFFAOYSA-N 418.475 3.645 0 1 HHAF CC1(C)Oc2ccc(-c3cccc4cnccc34)cc2[C@]2(COC(N)=N2)C12COC2 220720495 BKDQSRMNJPVQTC-XMMPIXPASA-N 401.466 3.630 0 1 HHAF CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)C=CCCC(C)=CC(=O)O2)O1 253666903 QFJACOUEVLILBV-JYTGUGRZSA-N 409.548 3.958 0 1 HHAF C[C@H]1CN(C)CC[C@H]1c1cc2c(cc1-c1ccc(F)cc1)OCC1=NNC(=O)[C@@H](C)N12 299838903 RKQCCJQGHCKJCV-HDMKZQKVSA-N 422.504 3.579 0 1 HHAF CN(C)CCOc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127540 WHJXHHFPLSDXGT-UHFFFAOYSA-N 405.380 3.945 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)O2 587396612 USDOGDJLXLMQCX-QFIPXVFZSA-N 403.482 3.861 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)c(OC)c1O)[C@@H](C2)C3=O 587411185 BYAIKUZZQAHNLD-DYZYQPBXSA-N 421.243 3.669 0 1 HHAF CCOC(=O)Cc1c(C)[nH]c([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1C 962568874 LKCVLDZQWMPFSS-ZAMGYDSWSA-N 400.519 3.720 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(-c3ccc4c(c3)OCO4)no2)N1)C(F)(F)F 962765753 NEQJFPSCXPDFSY-HNAYVOBHSA-N 416.355 3.805 0 1 HHAF O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NC1CC1 1772570261 KRJZZXKNHIXOJI-UHFFFAOYSA-N 423.309 3.515 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CCNCC2)cc1F 1772605680 WKPWFCICJIJNDA-UHFFFAOYSA-N 418.947 3.538 0 1 HHAF CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)OCO3)n(-c2ccc(F)cc2)n1 1911583182 FXIUQXHNQTVRMX-UHFFFAOYSA-N 409.461 3.897 0 1 HHAF CCC[C@H]1c2c(CO)c[nH]c2C=C[C@@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356361914 BESMSBQFWIBHRJ-RBUKOAKNSA-N 411.498 3.909 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 2356725966 PCOBWHLXUVIGDB-DPLHUUCSSA-N 420.534 3.885 0 1 HHAF NC(=O)c1ccc2c(=O)n3c(-c4cc(Cl)c(N)c(Cl)c4)csc3nc2c1 13662284 NKKGVQAQOCOVCF-UHFFFAOYSA-N 405.266 3.564 0 3 HHAF COc1ccc(-c2sc(Br)c3c2C(=O)[C@@H]2OC(=O)N[C@H]32)cc1OC 1662874 AQUCZYWTBQPSOA-DGCLKSJQSA-N 410.245 3.541 0 1 HHAF CC[C@@H](C)NC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 2457849 MXWAGIBJADLENW-CWTRNNRKSA-N 418.291 3.561 0 1 HHAF O=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCCc2ccccc21 2465401 QIJKXZVIKPMHES-UHFFFAOYSA-N 414.346 3.654 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO 4212709 KQIJICFTOGDRGS-YADHBBJMSA-N 404.551 3.949 0 1 HHAF Cc1nc2nc(N)nc(N)c2nc1CN(C)c1ccc2c(Cl)cc(Cl)cc2c1 5891567 NJAGEILJHVESNB-UHFFFAOYSA-N 414.300 3.989 0 1 HHAF Oc1nc2nnc(COc3ccc(Cl)cc3Cl)n2nc1Cc1ccccc1 6580938 SERHDQJSBCSRRG-UHFFFAOYSA-N 402.241 3.702 0 1 HHAF c1cc(C[n+]2ccc(N3CCCC3)cc2)cc(C[n+]2ccc(N3CCCC3)cc2)c1 13554568 LLYGOZJODSOSRO-UHFFFAOYSA-N 400.570 3.559 0 1 HHAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCC[C@]12COc1ccccc1C2 13759914 HOYFSXBLFWVLAI-VWLOTQADSA-N 410.558 3.946 0 1 HHAF CC[C@H](C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@@]2(C)OC1=O 14610758 PDIQMKRQFHBXJF-FNODVLLQSA-N 406.434 3.692 0 1 HHAF biogenic COc1cc(N2CCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 28231712 XBXYTOSBRAWYLD-SFHVURJKSA-N 413.949 3.953 0 1 HHAF COCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159707 KOZRESFNEYDZLH-UHFFFAOYSA-N 402.498 3.787 0 1 HHAF O=c1oc2ccccc2c(O)c1-c1csc(Nc2ccc(S(=O)(=O)O)cc2)n1 84669546 QJEKPQNZLDWJKV-UHFFFAOYSA-N 416.436 3.612 0 1 HHAF NC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 95562970 AOKFEEKZCZTORV-INIZCTEOSA-N 422.953 3.749 0 1 HHAF CNCCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)ccc21 96929140 BFWKPILZIWRSEP-UHFFFAOYSA-N 417.440 3.703 0 1 HHAF C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)no4)nc3n21 117698382 LPPKYSFULWRWFC-AWEZNQCLSA-N 415.453 3.562 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3[nH]cnc3c2)n1 143895081 PEIHMOWIFJZZIR-LJQANCHMSA-N 403.442 3.746 0 1 HHAF O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CNCCO2)cc1Br 149923363 QQRAUORHUJEMBP-CQSZACIVSA-N 411.687 3.802 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccsc1)(N1CCC[C@H](O)C1)C(=O)N2 219476204 WWQBGXBCMFMVEJ-JTSKRJEESA-N 409.511 3.672 0 1 HHAF COc1cc(C(=O)N[C@H](CNC2CC2)c2c(F)cccc2F)ccc1-c1cn[nH]c1 224677956 KTVRJTYYMLXASQ-LJQANCHMSA-N 412.440 3.587 0 1 HHAF COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@H]1[C@@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 253731786 BJEDIGDSPYXOHZ-VSNBDRDPSA-N 417.590 3.713 0 1 HHAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1 299819707 DWZPGUPBWKJZDM-HDJSIYSDSA-N 411.289 3.656 0 1 HHAF COc1nc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 299825146 CYOIIUJMQAMQCE-QGZVFWFLSA-N 419.464 3.984 0 1 HHAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587561527 SOGJZVXWNLVFKR-SVODWIFBSA-N 407.514 3.773 0 1 HHAF O=C(O)COCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587562835 GLGORVJFNVPIDH-UHFFFAOYSA-N 411.311 3.574 0 1 HHAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cnc(O)c3ccccc23)N1 962647103 XTZJFERKLQEILA-SJORKVTESA-N 404.344 3.527 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc3c(C(F)(F)F)nn(C)c3s1)NCC2 962927434 RBEXBSSZOUROAP-OAHLLOKOSA-N 408.449 3.591 0 1 HHAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21 1772569834 LIZNGUMVCCIPAO-UHFFFAOYSA-N 417.444 3.959 0 1 HHAF Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)N2CCCC(F)(F)C2)cn1 1772613665 FVXYBJRQYPAMFI-INIZCTEOSA-N 412.843 3.780 0 1 HHAF COc1ccccc1NC(=O)c1c(N)cccc1S(=O)(=O)c1ccc(F)cc1 1857533701 JYWXRBCYENTTBC-UHFFFAOYSA-N 400.431 3.502 0 1 HHAF CO[C@H]1CCCC[C@H]1n1nc(Oc2cc(C(F)(F)F)ccn2)c2c(N)ncnc21 1911576200 BIFFFOUNWHBZKP-NEPJUHHUSA-N 408.384 3.745 0 1 HHAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@@]3(C)[C@H]4O[C@H](CC(C)=CC[C@H]3OC(C)=O)[C@H]1[C@@H]42 2356789215 DAJIKNUNDGBDIF-DJWMGBQNSA-N 420.546 3.671 0 1 HHAF COc1cc(F)ccc1-c1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)n[nH]1 61907720 DWTDMFVZUYLFDH-UHFFFAOYSA-N 401.394 3.503 0 3 HHAF COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc([C@@H]3CCOC3)oc12 13437931 XKDMBJJSWDXWNU-SECBINFHSA-N 424.240 3.533 0 1 HHAF COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](OC)[C@H]3COC(=O)N23)cc(OC)c1O 13652050 FPDFXFCUSADUQJ-MMACOIQUSA-N 410.426 3.502 0 1 HHAF COc1cc([C@@H]2OC(=O)[C@@H](C)[C@@H]2C)c(-c2ccc3c(c2)OCO3)c(OC)c1OC 15210971 BCODXKYYJNZFCJ-SYTFOFBDSA-N 400.427 3.978 0 1 HHAF biogenic CCOc1ccccc1CCN(C(=O)c1ccc(CN(CC)CC)cc1)[C@@H]1CCNC1 28823638 QCKROCAKQPVWRJ-XMMPIXPASA-N 423.601 3.974 0 1 HHAF COc1cc(Nc2nccc(Nc3ccc4nccnc4c3)n2)cc(OC)c1OC 71330593 KUUPDPUKVLILKM-UHFFFAOYSA-N 404.430 3.933 0 1 HHAF CC(C)(C)OC(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72184770 JEQWEYOCILCYBN-SFHVURJKSA-N 406.889 3.911 0 1 HHAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(Br)c2)ON1C 95589702 RGSZXXLDAYNQJX-ZIAGYGMSSA-N 421.228 3.616 0 1 HHAF O[C@@H](NC[C@]12CC[C@@H](C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 101953853 GMHFKOCCMACCAP-LZVXQISVSA-N 419.369 3.995 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc3ccccc23)s1 169688934 WTGFXIOUKKWEBF-QZTJIDSGSA-N 417.446 3.749 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@]21C 169713496 ZMAIFLOHRXCDQS-SESCTYBNSA-N 418.622 3.959 0 1 HHAF Cc1[nH]c2cn(C[C@@H]3CCCN3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730471 VBQPZRSUMZVZPG-ZDUSSCGKSA-N 405.329 3.774 0 1 HHAF O=C(O)c1cccc(-c2cc(Nc3cccc(N4C[C@H]5C[C@H]5C4)n3)c3nccn3n2)c1 207354772 DZXKEQRVODUBFU-CALCHBBNSA-N 412.453 3.689 0 1 HHAF CCCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 299810271 PKRSCLWRYRXOGB-CNAKYOPWSA-N 423.553 3.699 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 299883452 RJQYILQJIQRYRJ-IEJRGFGGSA-N 416.562 3.866 0 1 HHAF COC(=O)c1c(C)nc(=NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C 473115925 VTSRBFQQXZAOSX-AWEZNQCLSA-N 423.517 3.551 0 1 HHAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)nc(S)nc2[nH]1 586980664 CQJGBIVBJNQJRD-UHFFFAOYSA-N 402.277 3.876 0 1 HHAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)ncc(F)c2[nH]1 586999775 HWBLCLMGOFVETF-UHFFFAOYSA-N 410.586 3.992 0 1 HHAF CCn1cc(Br)c(Cc2nc3ccc(Br)c(O)c3[nH]2)n1 587000243 HIXFQSZQBJBXDT-UHFFFAOYSA-N 400.074 3.601 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@@H](C(=O)O)[C@@H]2C3)c1 587364097 WYPAYVIKZYDNFZ-ZDPZECHZSA-N 400.434 3.969 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccccc1OCC(=O)O)CC2=O 587485514 XEUOYQOCAPFDHD-QFIPXVFZSA-N 400.427 3.611 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)o1 587599091 ZGRSIBWXKNOXIV-NFBKMPQASA-N 407.422 3.520 0 1 HHAF CN(C)CCCCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963234656 RBEDUUKRWPFMKP-RPWUZVMVSA-N 419.525 3.644 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@@H](O)[C@H](F)C1 1772611739 UGTQZSTXWDRYAP-RHSMWYFYSA-N 421.350 3.596 0 1 HHAF O=C(CN1CCC[C@H](CCc2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 1857566020 JMLPATPCDYFEAO-JWQCQUIFSA-N 405.586 3.722 0 1 HHAF COc1c(C)c(C=CC=CC=CC(C)=C[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C 2356580524 WQOZGNFAVRFSGE-LZQXYRQZSA-N 416.514 3.626 0 1 HHAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC 2484638 BGRAVCLIPWRMET-UHFFFAOYSA-N 414.433 3.931 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)CC)cc1 4205401 RPRJIHGYZYNICB-QFUCXCTJSA-N 416.905 3.718 0 1 HHAF CC(C)CN1C(=O)C[S@@](=O)[C@H]1c1cnccc1-c1ccc(Br)cc1 28819641 SCEQKECTMMQORQ-UUOWRZLLSA-N 407.333 3.757 0 1 HHAF O=C1NC(=O)/C(=C/c2c(-c3ccc(F)cc3)nc3sc(C(F)(F)F)nn23)S1 73294132 MAJHRZYNTOYIHC-UITAMQMPSA-N 414.365 3.940 0 1 HHAF CCC(CC)c1nc2c(NCCCc3ccccc3)ncnc2n1CCNC(C)=O 82180068 FEASSSYTFTTYDW-UHFFFAOYSA-N 408.550 3.911 0 1 HHAF CCOC(=O)COc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114037902 YCNQEIDRNDLZLW-FQEVSTJZSA-N 408.502 3.581 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@H]1CC[C@H](C2)N1 116585707 VMNCYKLGFBECRY-SJKOYZFVSA-N 418.465 3.962 0 1 HHAF COc1cc2cncc(Cc3cnc4ccc(OCC(=O)O)cc4c3)c2cc1OC 145109834 GATPKCXCAOZTNO-UHFFFAOYSA-N 404.422 3.854 0 1 HHAF CN1CCN(c2ccc(-c3ccc(-c4csc(NC(=O)C5CC5)n4)cc3)cn2)CC1 145284580 PDVAUTLDMCILIL-UHFFFAOYSA-N 419.554 3.972 0 1 HHAF CC[C@H](C)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](C)CC)s2)s1 169697832 OGDSPCLHNCWSLK-RYUDHWBXSA-N 424.596 3.924 0 1 HHAF COc1ccc(Cl)c(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204147152 PNXHAMDNXPTINS-UHFFFAOYSA-N 409.877 3.823 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1ccncc1 261108208 HROZEYIDCUMKKM-KRWDZBQOSA-N 411.845 3.751 0 1 HHAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2ccc3c(c2)OCO3)cc1 299837817 LDCMBBJYDFJBER-AWEZNQCLSA-N 412.389 3.689 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H](C)CCO4)[nH]c3c2)cc1 586917866 WXDZWWJPFMXZQT-DJJJIMSYSA-N 401.488 3.860 0 1 HHAF Brc1cc2c(cc1/C=C\c1nc3cc4c(cc3[nH]1)OCCO4)OCO2 586999033 SJEPWGIGPGVCRL-UPHRSURJSA-N 401.216 3.996 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(=O)OC)ccc2[nH]1 587180998 KWCXXDLYSFSCIM-SECBINFHSA-N 424.242 3.789 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587382064 NSXXSFPZNVCBSA-MRXNPFEDSA-N 410.442 3.714 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccco2)Cc2nc(N)ncc21 587472766 MSPHNVFKTCFRLO-JCQPUDPBSA-N 405.454 3.901 0 1 HHAF COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 587588395 QIIJLRUPEMYLTH-NFBKMPQASA-N 421.405 3.518 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587595086 MOKMLUQJWLAACL-CVDCTZTESA-N 403.390 3.600 0 1 HHAF CC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660743 SKFZSUJWTAQFPX-UHFFFAOYSA-N 401.397 3.850 0 1 HHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587786510 QVMGOVCSQOSOJN-QWHCGFSZSA-N 415.243 3.967 0 1 HHAF CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)N2NN=NC2=N1 587790586 CUJLJQHPZNKLOW-PGDRKKNUSA-N 407.291 3.557 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H](c2cc(F)cnc2Cl)c2scnc2C[C@@H]1C(=O)O 963132453 BJFRQJRDHLFSQV-NEPJUHHUSA-N 413.858 3.666 0 1 HHAF CN1CCN(c2ccc(-c3ccc(N)cc3)cc2NC(=O)c2ccc(F)c(N)c2)CC1 1772624408 GZMWCHPEWVDBSX-UHFFFAOYSA-N 419.504 3.661 0 1 HHAF COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 1654633 WZXGHJPWPNTBTF-UWJYYQICSA-N 403.434 3.839 0 1 HHAF COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC 5070748 AAXQPCFRALRWMH-LJQANCHMSA-N 412.530 3.840 0 1 HHAF O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 13153051 RDHJLIIGGAPIEE-OXQYBPPISA-N 410.857 3.728 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C(=O)[C@@H](C)[C@H](C)C2 15270935 BIOIJNOXHMOLAA-MNOVXSKESA-N 400.427 3.825 0 1 HHAF biogenic C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)c(Cl)cc2F)CC1 22941518 KNONQRYHXGQZPG-OAHLLOKOSA-N 419.903 3.714 0 1 HHAF Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(Cl)n1 28376553 BFIIANMKQVNCOV-UHFFFAOYSA-N 424.892 3.666 0 1 HHAF Cc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1 28526442 QGUDHYVGNFXDIJ-UHFFFAOYSA-N 404.495 3.977 0 1 HHAF O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 28570870 LAKQAEHCCWPUIS-SFHVURJKSA-N 406.486 3.799 0 1 HHAF CCN(CC)C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN 28950225 BWARQICCYBIGRG-UHFFFAOYSA-N 422.407 3.858 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C(=O)[C@@]21C 33820890 SEHGSGHDGHQINJ-UNHDGDTJSA-N 406.563 3.657 0 1 HHAF CC(C)CNCc1cccc(-c2cccc(CNCCCN3CCN(C)CC3)c2)c1 45302821 XJIVIPSNMPZXMS-UHFFFAOYSA-N 408.634 3.826 0 1 HHAF COc1cccc(CNc2nc(NC[C@H]3CCCO3)nc3cc(OC)c(OC)cc23)c1 82127174 LIYDGIDDKQTLBL-QGZVFWFLSA-N 424.501 3.859 0 1 HHAF COc1ccc(OC)c(-c2cc(NCc3cc(OC)c(OC)c(OC)c3)ncn2)c1 82161182 IAIAHDMYELBLRA-UHFFFAOYSA-N 411.458 3.799 0 1 HHAF CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CCN1CCC(C2CCCCC2)CC1 84726320 QCWXDDYYECBDTI-HSZRJFAPSA-N 411.590 3.715 0 1 HHAF CCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169366497 PKRSCLWRYRXOGB-UPGMLOOJSA-N 423.553 3.699 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ncc(OCC4CC4)cc3F)C2)cc1 169709155 OSZMNTMCSNIYFG-YWZLYKJASA-N 413.493 3.864 0 1 HHAF CCCCCCOc1ccc(NC(=O)[C@H]2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 169727274 RVPUQYARQQXXNQ-RTWAWAEBSA-N 408.498 3.511 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 210831418 XPTKHHCOHLNFFZ-CYBMUJFWSA-N 419.514 3.860 0 1 HHAF CCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 225245963 LXPRCKGYRITYCI-UHFFFAOYSA-N 409.523 3.673 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c[nH]c(=N)[nH]c-2n1 587086366 HJYVVLILOZXGKQ-SREVYHEPSA-N 400.273 3.747 0 1 HHAF Fc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1-n1cccn1 587117576 DTEIFRQCQJTAIS-UHFFFAOYSA-N 417.326 3.806 0 1 HHAF COC(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347138 OJRVKSLUGTYQBI-FYYLOGMGSA-N 407.397 3.744 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)N3CCC(C)CC3)cc1)O2 587396716 VTMBWDJNCUTPQJ-QFIPXVFZSA-N 408.498 3.921 0 1 HHAF COC(=O)COc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789421 BVZNVMQAOLDXFD-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587798122 XMIPUAMQGFCFKB-WLRWDXFRSA-N 408.267 3.984 0 1 HHAF COCCNc1ccc2ncc(-c3ccc(C(=O)Nc4ccc(OC)cc4)cc3)n2n1 653751503 CFDANAVTVMRSPD-UHFFFAOYSA-N 417.469 3.716 0 1 HHAF C/C(=C\CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)CO 914431421 IPOCPVGCROEFJO-NTEUORMPSA-N 408.428 3.635 0 1 HHAF CCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977302 OQYUCTKHOLGWAC-YWZLYKJASA-N 409.816 3.642 0 1 HHAF CC(=O)N1CC(Oc2ccc3oc(-c4cc5sccc5cn4)c/c(=N\O)c3c2)C1 1772572373 WJIWFSOUXDVTMG-HAVVHWLPSA-N 407.451 3.609 0 1 HHAF O=C(Nc1ccc(CO)cc1)c1ccc(C(=O)Nc2ccc(CO)cc2)c(Cl)c1 1772655107 GJIWOCGFKNXTMN-UHFFFAOYSA-N 410.857 3.829 0 1 HHAF COc1ccc(-c2cnc(NC(=O)[C@H](C)Oc3ccc(-c4cn(C)cn4)cc3)[nH]2)cc1 1857757812 AKVLOQSCQKEOFW-HNNXBMFYSA-N 417.469 3.892 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(C)=O)=C[C@H](O)[C@@H]1C(C)(C)CCC[C@@]12C 2356424245 RSUWYVAJUFBIDE-ITWTXWRJSA-N 408.535 3.554 0 1 HHAF CC(=CC=CC=C[C@]1(C)[C@H]2OC(=O)[C@@]1(C)C(=O)C2(C)C)[C@@H]1[C@H](C)C(=O)[C@](C)(O)[C@H]1C 2356441001 ZWOJZMXXTIYXQZ-OJXPSVSUSA-N 414.542 3.814 0 1 HHAF CSc1ncnc2c1ncn2CCCN1CCN(Cc2c(C)cc(C)cc2C)CC1 61922457 RBADYFBLSLVGSM-UHFFFAOYSA-N 424.618 3.681 0 3 HHAF Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)no1 2247505 LDWAOCOZTZLLCR-ZWKOTPCHSA-N 406.419 3.947 0 1 HHAF Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 3798424 DKSAHGHNBIUCKR-SFHVURJKSA-N 421.478 3.725 0 1 HHAF CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)[C@H]2N1C(=O)[C@]2(C)OCc1ccccc1 5835801 DWEHYYMYUHOBEE-AWRGLXIESA-N 408.498 3.807 0 1 HHAF CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1COc2cccc(OC)c2C1 13737073 KZRCUUSRYFALEA-SFHVURJKSA-N 416.562 3.666 0 1 HHAF CC[C@@H](C)C(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1OC 14779772 GJXSHGNJOOZNFH-LLVKDONJSA-N 414.410 3.840 0 1 HHAF biogenic CCn1cc(-c2nc3ccccc3[nH]2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 43072363 AVJCNMOUJRQWPN-ZDUSSCGKSA-N 423.467 3.641 0 1 HHAF c1ccc(CCNc2cc(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)n2)nc1 66251985 XXOAKJONRSWAET-UHFFFAOYSA-N 400.486 3.511 0 1 HHAF COc1cnc2ccc([C@H](C)n3nnc4ccn(-c5cc(C)ns5)c(=O)c43)cc2c1 68152015 JVDYRYXVFKFESW-ZDUSSCGKSA-N 418.482 3.513 0 1 HHAF O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95873260 MJXRCPXBIJRDBA-SDHOMARFSA-N 419.569 3.690 0 1 HHAF O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCN(c2ccccc2)CC1 98083063 WRMZAUYBCDRUQA-UHFFFAOYSA-N 409.493 3.897 0 1 HHAF O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(OCC(F)(F)F)cc2N1 101491726 VCOCXKOXGQWUIG-UHFFFAOYSA-N 401.348 3.671 0 1 HHAF COCCNc1nc2ccncc2nc1N1CCC(Cc2ccc(F)cc2F)CC1 144349790 AAECPEVHWFVOSH-UHFFFAOYSA-N 413.472 3.820 0 1 HHAF C[C@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C/C=C/[C@H](O)C/C=C/C=C\C(=O)O1 238765428 XXDIJWSZFWZBRM-HWPPUCQNSA-N 402.531 3.692 0 1 HHAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnc3ccccc3c2[nH]1 586945472 GGEYRQXKGXHBMQ-UHFFFAOYSA-N 410.480 3.911 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587041894 HMQGLOBEVODVRR-IBGZPJMESA-N 424.526 3.551 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1 587163989 PSZAXVXTHHZNMP-INIZCTEOSA-N 406.255 3.902 0 1 HHAF O=C(O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355557 VICUHGCBKZXZSG-XUZZJYLKSA-N 420.392 3.830 0 1 HHAF C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518343 GFQVSYISGBTTIQ-ZJSXRUAMSA-N 404.466 3.651 0 1 HHAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582326 ZQOZILOGEOMRRE-QQJYNPJZSA-N 407.466 3.794 0 1 HHAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587718027 HNKHOUUTVLNKQL-QPFGOUBPSA-N 402.258 3.981 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(-c3ccccc3)nn2)N1 587755555 AUWWJARFCFNCDB-CWTRNNRKSA-N 401.283 3.967 0 1 HHAF CCOC(=O)C[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772904 PONJJGADVMNZAY-HXPMCKFVSA-N 407.283 3.714 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3c(O)nc4cccc2c43)N1 587778641 NUMXOJDSPPMGOZ-APBUJDDRSA-N 402.267 3.825 0 1 HHAF COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587795095 QLFNXNSGOXPYEX-WYRIXSBYSA-N 408.267 3.764 0 1 HHAF COC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587798771 ZEXCQDSMBQCVOK-WYRIXSBYSA-N 408.267 3.764 0 1 HHAF CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccnc(Cl)c3)cc12 653905149 IEEHXVUFVDOULN-UHFFFAOYSA-N 420.966 3.505 0 1 HHAF O=C(O)CCC(=O)N1NC(c2ccccc2)=C[C@H]1c1ccc(Br)cc1 957579806 GXFJRATZSMIHEE-KRWDZBQOSA-N 401.260 3.743 0 1 HHAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cc5ccccc5[nH]4)c(=O)n1c23 1857569467 FPEOUHCOUFKRFL-LBPRGKRZSA-N 405.429 3.765 0 1 HHAF COc1cc(OC)c2cc3c(nc2c1)-c1nc2ccc(Br)cc2c(=O)n1C3 1911585229 UKALQQMNJQXQAM-UHFFFAOYSA-N 424.254 3.753 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(C)c1 72138425 CVXOYTIAJICINQ-IBGZPJMESA-N 405.903 3.884 0 3 HHAF O=C(OCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 27560208 AYXWEHKMEUGCBR-QFIPXVFZSA-N 415.555 3.937 0 1 HHAF COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccc(Cl)cc3)CC1)OCC2 27900203 FERBIOQZSPFYMR-JOCHJYFZSA-N 402.922 3.793 0 1 HHAF O=C(Nc1cccc2c1C[C@H](O)[C@@H](N1CCC(c3ccccc3)CC1)C2)C(F)(F)F 28234208 VQKOGRBVBGYRKT-SFTDATJTSA-N 418.459 3.895 0 1 HHAF Cc1ccc([C@]2(O)CCCC[C@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 28563729 LHOWPDRNDVSXJJ-ZEQKJWHPSA-N 419.569 3.554 0 1 HHAF CC(=O)NCCSc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958800 FBEATWYWJRBSSB-UHFFFAOYSA-N 418.526 3.632 0 1 HHAF CC[C@]12C=C(C(=O)OCCOC(C)=O)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 28965213 RWTVOOSEEBEYRF-ISKFKSNPSA-N 408.498 3.692 0 1 HHAF Cc1ccc2c(c1)c(-c1ccnc3c(S(C)(=O)=O)cccc13)c(C)n2CC(=O)O 36127010 CUBGOGRTKCMGGK-UHFFFAOYSA-N 408.479 3.961 0 1 HHAF CNC(=O)c1cc2ccc(CCNC(=O)Nc3ccc(C(F)(F)F)cc3)cc2cn1 36409738 KCYVTKRXJSVUTQ-UHFFFAOYSA-N 416.403 3.977 0 1 HHAF COC(=O)c1c(O)cc(O)cc1Oc1c(O)c(OC)cc(CC=C(C)C)c1OC 64417053 FCTJATYMYSSRPZ-UHFFFAOYSA-N 404.415 3.908 0 1 HHAF biogenic COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@@H](c1ccco1)N2 84671434 SJIMATSYYBYLAH-FQEVSTJZSA-N 409.417 3.554 0 1 HHAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 84713574 LHBZPIMWVGKCEK-INIZCTEOSA-N 410.484 3.729 0 1 HHAF CC(C)N1CCc2nc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccn3c2C1 142046314 ZJXAFSGFQPKUTP-UHFFFAOYSA-N 414.509 3.831 0 1 HHAF CO[C@@H]1CN(c2cccc(C(F)(F)F)n2)C[C@@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 169709759 GXHWPDLGBMZDMF-VHSSKADRSA-N 423.435 3.580 0 1 HHAF COC(=O)c1cc2cccc(NC[C@@H](C)NC[C@@H](O)c3cccc(Cl)c3)c2[nH]1 206827501 SIDTXHXOCHWTIN-BFUOFWGJSA-N 401.894 3.732 0 1 HHAF CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4cc(Cl)ccc34)nnc21 223807827 ANDJXSPPXVBIRS-UHFFFAOYSA-N 422.851 3.959 0 1 HHAF CCCCNc1ncc(C(=O)Nc2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 261149928 OPZZIKZUGSMEPY-WKILWMFISA-N 413.522 3.665 0 1 HHAF CS(=O)(=O)/C=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586923540 PETSXLOYVQUUFK-BQYQJAHWSA-N 407.289 3.920 0 1 HHAF COc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1C 586935443 HOTRACNGWVSRKI-OAHLLOKOSA-N 405.545 3.653 0 1 HHAF CCCCNS(=O)(=O)c1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1 587060133 AXYFXGGJXMLJTQ-UHFFFAOYSA-N 406.895 3.547 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@H](CC(=O)OCC)C(=O)OCC)CC2=O 587481531 NATKJPOQQOSUPB-FPTDNZKUSA-N 406.475 3.591 0 1 HHAF CCOc1nc(N2CCOCC2)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536619 XXGGAVHJXJICES-GOSISDBHSA-N 414.527 3.964 0 1 HHAF CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)ccc21 587595092 OPPLXXYBKGCCTI-RDPSFJRHSA-N 401.418 3.924 0 1 HHAF C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606587 IFINSRODZNUNGV-DENIHFKCSA-N 410.447 3.673 0 1 HHAF CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCO3)c(=O)c3ccccc23)cc1OCC 587669468 NIWVFPBXZSMNJC-IBGZPJMESA-N 408.454 3.680 0 1 HHAF CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 587730420 IRZIRGDPSPKQOI-APBUJDDRSA-N 407.258 3.872 0 1 HHAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587750123 GSBCKGXSGODFNE-WYRIXSBYSA-N 409.299 3.901 0 1 HHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587786536 REOFUTCXMYXACH-STQMWFEESA-N 419.222 3.506 0 1 HHAF CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965538 LGDSAGIAIVRXEU-BLLLJJGKSA-N 413.770 3.980 0 1 HHAF CCN1C(=O)[C@H](C(C)=O)[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963120545 JRQUGNYBWSCZPI-FPOVZHCZSA-N 403.309 3.954 0 1 HHAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(I)c(Cl)c1 963124505 REIMXWNCLZMNOW-HNNXBMFYSA-N 413.642 3.878 0 1 HHAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)[C@@H](F)c5ccccc5)cc4)c12)CCC3 1857535022 DIIRQVRVHUTGJL-IBGZPJMESA-N 401.445 3.971 0 1 HHAF C=Cc1cnn(C)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1 1857566953 HGZBCVRLBOKNEJ-ZWKOTPCHSA-N 410.518 3.806 0 1 HHAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356490193 ZODJZVRYUQWYON-AVEVOMPHSA-N 422.606 3.537 0 1 HHAF COC(=O)C=C(OC)[C@@H](C)[C@H](C=Cc1csc(-c2csc(C(C)=O)n2)n1)OC 2356614706 FJJCCBLQMQQDDM-NHYWBVRUSA-N 422.528 3.837 0 1 HHAF Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 36389234 YKTVPJPRINESLJ-XQQFMLRXSA-N 418.486 3.657 0 3 HHAF CCCCCNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2128562 FQZAFHLKDGVMKO-YADARESESA-N 424.545 3.534 0 1 HHAF biogenic COc1ccccc1CN1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2 3955926 WFESLDVIMJNYLN-UHFFFAOYSA-N 414.571 3.762 0 1 HHAF Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1C 4977850 PQBLVODFEIOMIT-QWCYLASJSA-N 417.505 3.851 0 1 HHAF O=C(N[C@@H]1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2NC1=O)c1ccco1 28572173 XQISGTFEXVLYIS-SFHVURJKSA-N 413.355 3.844 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cnccc21 34046516 BLRSFXNYURWJSG-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3)c2C)cc1 72182641 VYEZMJXAJMMPSX-QFIPXVFZSA-N 423.557 3.819 0 1 HHAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCc3ccccn3)C(C)C)co2)cc1 82070317 ASVLUNUMJKXMKX-HXUWFJFHSA-N 407.470 3.585 0 1 HHAF O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95893686 PTTVLLXGMCYJBL-RBZQAINGSA-N 402.469 3.815 0 1 HHAF C[C@@H](C(=O)NCCC1CCCCCCC1)N1CCN(C(=O)C2CCCCC2)CC1 96271323 YNVZEOKFLJLJGW-FQEVSTJZSA-N 405.627 3.966 0 1 HHAF CC(C)c1c(O)n(-c2ccccc2)c(SCC(=O)NC2CCCCC2)nc1=O 136208361 SDHANPZMWKRPOF-UHFFFAOYSA-N 401.532 3.603 0 1 HHAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(OCC(C)(C)O)ccc3F)nnc12 145731042 QEZMDSAIBIOKNZ-UHFFFAOYSA-N 407.449 3.814 0 1 HHAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(NC2CCCCC2)cc1C(F)(F)F 146025442 LWMLQPGYMOPNPS-OAHLLOKOSA-N 406.470 3.907 0 1 HHAF CS(=O)(=O)N(CC1CCCC1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 148458405 GWLVSWXZAOTAPU-GOSISDBHSA-N 400.544 3.607 0 1 HHAF Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)cnc12 148857244 APEZSRSLDCCOAT-UHFFFAOYSA-N 416.466 3.556 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)c2)cc1Cl 195404254 UHMSREPIEKGVDP-RDPGKOORSA-N 422.868 3.912 0 1 HHAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)c(CO)[nH]1 219009115 VGMRLVFZSBEBBZ-UHFFFAOYSA-N 400.482 3.606 0 1 HHAF COc1cccc(F)c1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225077485 ALBZBIFDLKPIGI-UHFFFAOYSA-N 410.430 3.640 0 1 HHAF O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226064639 MVONBPRQLZYVPK-BXWFABGCSA-N 404.445 3.750 0 1 HHAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3cccnc23)CC1 253650673 HWBJWUBGNFSNFM-AQKQGEKGSA-N 415.493 3.539 0 1 HHAF CO[C@H]1CC[C@H](OC)[C@H]([C@]2([C@@H]3C[C@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 254113536 GRLWJBJNHZKQHW-OHYMUCPZSA-N 418.530 3.713 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(=O)OC)cccc2[nH]1 587181572 VTHXFZJNRPGFGZ-SECBINFHSA-N 424.242 3.789 0 1 HHAF CCCCCOc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br 587254646 VYDKRQOXWRHFJQ-UHFFFAOYSA-N 408.296 3.900 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)O2 587391248 QSVXWQNQAYKLBO-HMLKYZKVSA-N 402.450 3.923 0 1 HHAF COc1cc2c3c(c1)O[C@](CCN1CCOCC1)(c1cc4ccccc4o1)[C@@H](C2)C3=O 587444438 PPGLJYHEJKZCAH-DFBJGRDBSA-N 419.477 3.807 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587471926 XHGQGNYHUCBTNG-KFOHMRLHSA-N 419.518 3.998 0 1 HHAF C[C@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551789 JPFPLNBRNXXKSF-SCLBCKFNSA-N 406.225 3.711 0 1 HHAF O=C(O)C1=COc2ccc(F)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587572203 UHSRELRUVDMSKN-WMZHIEFXSA-N 420.348 3.749 0 1 HHAF CCn1ncc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587762462 FBJWVXBBUIGUPC-GYHBZHIHSA-N 421.358 3.966 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 587767974 SGVHDUFKBCHPEL-HXPMCKFVSA-N 408.315 3.557 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587794312 MFRLESBDPYMQEY-APBUJDDRSA-N 405.267 3.717 0 1 HHAF COc1cccc(C[C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811173 VRWOLJLCYLRYLD-WLRWDXFRSA-N 408.267 3.654 0 1 HHAF O=C1CSc2ccccc2N1Cc1cn(Cc2ccc(Br)cc2)nn1 653782495 NYTGXZLGBXXBOX-UHFFFAOYSA-N 415.316 3.728 0 1 HHAF Cc1ccc([C@H]2CN(CCCSc3nnc(-c4ocnc4C)n3C)CCO2)cc1 653802187 HOXIFZKRDKLRKX-GOSISDBHSA-N 413.547 3.643 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@]12C=CN(c1ccccc1)N=C2C(=O)O 962374715 MDEJWYHVAOSINL-QHCPKHFHSA-N 418.522 3.815 0 1 HHAF FC(F)(F)[C@H]1CN(Cc2ccccc2)CC[C@]12NCCc1nc3ccccn3c12 962991395 VJIVGGSXHNTSQK-RXVVDRJESA-N 400.448 3.760 0 1 HHAF C[C@@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C[C@H]1O 1772636481 VOCREZZJJXIVFU-KZULUSFZSA-N 417.387 3.894 0 1 HHAF COC1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772654453 IUCUSJUHEPWLLR-UHFFFAOYSA-N 403.360 3.912 0 1 HHAF Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1857551240 NQXMGJBSVWTGDH-UHFFFAOYSA-N 412.486 3.543 0 1 HHAF COc1ccc(-c2nc(C)nn2-c2cccc(C(=O)NCCc3ccncc3)c2)cc1 1857615129 ZLOIZBJNPNLILH-UHFFFAOYSA-N 413.481 3.619 0 1 HHAF CCN1CCN(c2ncc(C(=O)N3CCCc4ccccc43)c3ccccc23)CC1 20108120 ZFNHJDXRLUUVJH-UHFFFAOYSA-N 400.526 3.970 0 3 HHAF CSCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C/C=C/c2ccccc2)CC1 95571311 QGKIJBWYRRPJCN-ZBWUASRJSA-N 414.623 3.553 0 3 HHAF COc1cc([C@@H]2c3c(ccc4ccccc34)C(=O)[C@H]3CCC(=O)N32)cc(OC)c1O 1654640 PWASRHCIRUXQDB-VGOFRKELSA-N 403.434 3.839 0 1 HHAF CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC(F)(F)F)cc2)CC1 13561113 BQQQBDUGDHGYPU-UHFFFAOYSA-N 400.441 3.881 0 1 HHAF Cc1oc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)nc1C[S@](=O)c1ccccc1 20560165 QUCFDXLQQVAJHQ-WWOZWPLTSA-N 424.522 3.867 0 1 HHAF COC(=O)c1cc2c(c(C)c1C(=O)OC)C=C[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 27525266 TWGXBZVCOOQQPA-ZQMYSKGWSA-N 400.471 3.832 0 1 HHAF CN1CCC[C@@H]1CCNc1ncc(C(=O)NCc2ccccc2)c(NC2CCCC2)n1 45369897 DUECHGLMSZLVFC-HXUWFJFHSA-N 422.577 3.657 0 1 HHAF NCCN(Cc1ccc(CNCc2ccccn2)cc1)[C@@H]1CCCc2cccnc21 49113550 OBCGVCHGTISUSB-XMMPIXPASA-N 401.558 3.605 0 1 HHAF Nc1c(F)c(NCCCc2ccccc2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 72126910 HUSHBWWJQOSZCE-UHFFFAOYSA-N 413.424 3.940 0 1 HHAF Cc1nnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12 73311967 LMKZEVVMQORNEZ-UHFFFAOYSA-N 417.517 3.696 0 1 HHAF O=C(c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1)N1CCCC1 82153486 XYQLETZSKNEQBM-UHFFFAOYSA-N 414.509 3.883 0 1 HHAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)S(=O)(=O)CC3)CC1 84688559 VCDWNLPHRCJKJZ-UHFFFAOYSA-N 408.564 3.856 0 1 HHAF Cc1noc(Cn2nc3ccc(-c4ccc(Oc5ccc(F)cc5)cc4)cn3c2=O)n1 95558341 CYVQWKYIMKBUQR-UHFFFAOYSA-N 417.400 3.834 0 1 HHAF COc1ccc(-c2c(CO)c(COC(C)=O)cc3ccc4c(c23)OCO4)cc1OC 96909759 BUXZXCAUAHCOFS-UHFFFAOYSA-N 410.422 3.808 0 1 HHAF COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCC(=O)O 100103898 LBNYLXCDRMDCFK-UHFFFAOYSA-N 411.197 3.710 0 1 HHAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)c4ccccc4)c(F)c3)c3c(N)nccn32)C1 100618778 MUNBTKWJRGKPKZ-ONEIWYMKSA-N 416.456 3.977 0 1 HHAF COc1ccc(-c2cc(C(=O)N3C[C@H](CC(C)C)NC(=O)[C@@H]3CC(C)C)no2)cc1 103265321 JXRVOHHRGLSRJU-PXNSSMCTSA-N 413.518 3.752 0 1 HHAF Cc1ccccc1CN1CCC(N2CC[C@H](n3c(=O)[nH]c4ccccc43)[C@@H](F)C2)CC1 169296709 UVNVDXZOLDWJKU-GMAHTHKFSA-N 422.548 3.888 0 1 HHAF COC(=O)c1c(C)c(Cl)c(OC(=O)c2c(C)cc(O)cc2O)c(Cl)c1O 238762670 KRSWIQFNVIAKLH-UHFFFAOYSA-N 401.198 3.733 0 1 HHAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C 299804746 WUXOBBJUEKXKHZ-RGRLZIOBSA-N 404.576 3.624 0 1 HHAF O=S1(=O)[C@H]2C[C@H]3O[C@@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 299812863 DZSBJQYROJIKMG-YRPNKDGESA-N 407.894 3.708 0 1 HHAF CN=c1nc(N2CCC(N)CC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473088028 NKEUQOXVQBYJRW-UHFFFAOYSA-N 407.465 3.768 0 1 HHAF CCS(=O)(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587023572 QKYBAMFJGKLFQR-UHFFFAOYSA-N 408.505 3.827 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(-c3cc(Br)cnc3F)nc-2[nH]1 587178249 XDTVPDZDGAKCPL-UHFFFAOYSA-N 415.226 3.586 0 1 HHAF O=C1COc2cc3[nH]c(/C=C/c4cccc(I)c4)nc3cc2N1 587184133 OBKVYAADXUQCNK-SNAWJCMRSA-N 417.206 3.669 0 1 HHAF CC[C@H](c1nc2ccnc(Cl)c2[nH]1)n1cc(I)c(C)n1 587185879 POOJUBXEAIKWPS-SNVBAGLBSA-N 401.639 3.720 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239623 MDVRRKKXAAMEMZ-OLPMXTGOSA-N 411.506 3.994 0 1 HHAF COC(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337232 LXSGBZINWQXBBX-FYYLOGMGSA-N 407.397 3.744 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1N1CCNCC1 587592046 HFJZJMNRDYOLNK-QPPBQGQZSA-N 402.450 3.505 0 1 HHAF CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587780107 LLHKKVDFGSJGOC-UHFFFAOYSA-N 400.378 3.834 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587794314 MFRLESBDPYMQEY-GIGQVBGESA-N 405.267 3.717 0 1 HHAF COc1cccc(C[C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811174 VRWOLJLCYLRYLD-WYRIXSBYSA-N 408.267 3.654 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587820581 APWBUFKLRNMJOT-YUNKPMOVSA-N 420.278 3.718 0 1 HHAF O=C(Cn1c(=O)c(/C=C\c2ccncc2)nc2ccccc21)Nc1ccc(F)cc1 653737506 QCKFLWODZVSANT-YHYXMXQVSA-N 400.413 3.740 0 1 HHAF COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)ccc1OCC(=O)N1CCCCC1 653872955 ACVCUPRABZBKOV-WQRHYEAKSA-N 410.445 3.718 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccccc1)(c1nc3ccccc3n1C)NCC2 962931710 OVYHSDJWPJVWRB-SANMLTNESA-N 410.521 3.713 0 1 HHAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@H]5c4cccc(Cl)c4)(C2)C3)cn1 1857574365 REGUKWPDBFIQSN-XTWGIRIWSA-N 408.937 3.918 0 1 HHAF Cc1cccc(-c2nc(C)c(COc3ccc(S(=O)(=O)CC(=O)O)cc3)s2)c1 1857759042 DXLRIJJTPATPGA-UHFFFAOYSA-N 417.508 3.864 0 1 HHAF Fc1ccc2c(c1)nc1n2[C@H](CN(Cc2ccccn2)Cc2ccccn2)COC1 2356302355 SPCSDECAZMZUDG-HXUWFJFHSA-N 403.461 3.739 0 1 HHAF Cc1ccc2nc(C[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356309500 MBCZSRRXPKLVPI-RTBURBONSA-N 405.498 3.596 0 1 HHAF O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cc(F)ccc2F)cc1 201472906 SCZXXBHXADEAFZ-KRWDZBQOSA-N 424.403 3.787 0 3 HHAF Cc1c2cnn(CC(=O)N3CCCCC3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 6807919 ZZBUIIMTEXGNNV-UHFFFAOYSA-N 412.921 3.529 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 8214951 DLYVTEULDNMQAR-GBWUAKQHSA-N 422.606 3.537 0 1 HHAF CCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 13472340 XLPDJMHOTMAAOH-UHFFFAOYSA-N 406.381 3.537 0 1 HHAF O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)[C@](O)(c1ccccc1)C1CCC1 22940363 FQKWUOMFMABAJL-DEOSSOPVSA-N 412.961 3.715 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([S@@](C)=O)cc1 27863259 KPJYNEDTNNPOJQ-OLILMLBXSA-N 414.527 3.687 0 1 HHAF CCOC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044405 LGNNPMLVSVGWSH-VIFPVBQESA-N 410.314 3.713 0 1 HHAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 29402676 PCALQRJKBBDAFN-FPRSRYDQSA-N 403.563 3.725 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccccc1 40866698 OCZZLQJGEUJKRT-OALUTQOASA-N 405.523 3.638 0 1 HHAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@@H]1CC(=O)N(CC)CC 43071609 BIPGCFJINKTMQY-IBGZPJMESA-N 408.498 3.822 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(C)CC1 95795985 GOAAERGMLZQDQW-JOCHJYFZSA-N 405.542 3.689 0 1 HHAF COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 95875595 IAOUQVOLJYGUBM-JIMJEQGWSA-N 406.570 3.997 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H]1CO 95877783 FGOUXSFKWLFYFE-ZTCOLXNVSA-N 417.484 3.902 0 1 HHAF CCCc1sc(-c2ccc(OC)c(O)c2)nc1CSc1nc(N)cc(N)n1 96283898 UFTDEMPMKXDHOK-UHFFFAOYSA-N 403.533 3.724 0 1 HHAF in-vitro COC1CCC2(CC1)Cc1ccc(OCc3ccccc3)cc1[C@]21N=C(N)N(C)O1 146797475 CIPLWUBAYCECKC-PBSMCPNCSA-N 407.514 3.742 0 1 HHAF C[C@@]1(CO)Cc2nnc(C3(c4ccc(-c5cccnc5)c(F)c4)CC3)n2CCS1 148300157 INJNKRDXNHYXPE-NRFANRHFSA-N 410.518 3.599 0 1 HHAF C[C@](O)(CN(Cc1ccco1)S(C)(=O)=O)Cn1c2ccccc2c2ccccc21 148611759 VWHXOSHMRVAMFT-QFIPXVFZSA-N 412.511 3.600 0 1 HHAF CCC(CC)C(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166316918 VOIIKRKFPFYMOV-UHFFFAOYSA-N 408.502 3.655 0 1 HHAF CCOC(=O)[C@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@@H]1c1cc(C)ccc1C 169687457 SYTUNNRYKZTPDR-LEWJYISDSA-N 404.470 3.738 0 1 HHAF CSc1cccc(-c2nnc(NC(=O)c3cccc(-n4c(O)ccc4O)c3)o2)c1 169689640 QJOASHGLIPCQQP-UHFFFAOYSA-N 408.439 3.913 0 1 HHAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1 224814486 CQCGACGTKPRAOK-UHFFFAOYSA-N 406.461 3.565 0 1 HHAF O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226080013 AOCUBVGHAGVKIE-QOKNQOGYSA-N 422.435 3.889 0 1 HHAF CC[C@@]1(OC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 238745441 PHYQKWIULCXYSF-UZYDVJNXSA-N 403.563 3.777 0 1 HHAF COc1cc2nc(N3CCCC3)[nH]c(=NCCCCCN3CCCC3)c2cc1Cl 473112140 DDSCIJXERNXQAP-UHFFFAOYSA-N 417.985 3.992 0 1 HHAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5CCC5)[nH]c4c3)cc2)CC1 586885134 YASDLIUGXSLRCF-UHFFFAOYSA-N 417.557 3.873 0 1 HHAF O[C@H]1C[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 586902696 LZERBHJACBMEMD-KOLCDFICSA-N 411.630 3.785 0 1 HHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587069981 NOUBABBEQUKIHZ-GFCCVEGCSA-N 405.907 3.843 0 1 HHAF O=C(O)CCN(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)Cc1ccccc1 587193629 NQDJWYWLHBBLTJ-UHFFFAOYSA-N 407.392 3.981 0 1 HHAF Cc1nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)n2n1 587350577 XBEMTYHJDYKYGD-REWPJTCUSA-N 418.428 3.860 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(OC)n1 587587190 LQCPHZNLOUAWEH-FXAWDEMLSA-N 409.394 3.516 0 1 HHAF COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)c1C(=O)OC 587634482 GUMZQMVNWFBYDH-UHFFFAOYSA-N 411.364 3.872 0 1 HHAF Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587711998 ZDZQRWVIICWIMQ-GLEZIHRCSA-N 406.221 3.970 0 1 HHAF COc1ccccc1NCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868318 ZBLIVOYXSMYSRW-UHFFFAOYSA-N 406.364 3.733 0 1 HHAF Cc1nnc([C@@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1 653667586 ZKUAVPQZOHMLSJ-LLVKDONJSA-N 409.519 3.508 0 1 HHAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(NC[C@H](C)O)nc12 653721988 BEMMPKXTCFGEAN-HNNXBMFYSA-N 417.517 3.943 0 1 HHAF CN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c2ccccc2C1 1772636280 OKBGXJXUPQTXMM-UHFFFAOYSA-N 409.511 3.860 0 1 HHAF O=C(O)CCc1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 1857645734 AJBBQUYEFGZEPI-UHFFFAOYSA-N 401.419 3.526 0 1 HHAF COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)c3ccccc3C)cc2)cc1 1857651376 QYZLJFVDNFWDRC-UHFFFAOYSA-N 416.477 3.917 0 1 HHAF CNC(=O)c1cc(Oc2ccc(C3=NN[C@@H](c4ccc(OC)cc4)C3)cc2)ccn1 1857754407 AWMXNRTWEPBRNZ-HXUWFJFHSA-N 402.454 3.681 0 1 HHAF O=c1[nH]c2nonc2nc1Nc1ccc(OCCCC(F)(F)F)c(C(F)(F)F)c1 1911586293 NACRTFJGRYSSID-UHFFFAOYSA-N 423.273 3.790 0 1 HHAF COCCn1cc(CCC(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)c2ccccc21 2356761235 QTRDUETWKJKTES-GGAORHGYSA-N 411.590 3.943 0 1 HHAF O=C(NCc1ccco1)c1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)n1 205229938 ZFTYCVVSMNVSEJ-UHFFFAOYSA-N 416.890 3.762 0 3 HHAF CC[C@@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 721096 YBOWQRZAFBWHQG-SNVBAGLBSA-N 406.364 3.672 0 1 HHAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1 777192 VPOHVVIQPXQIJF-HOTGVXAUSA-N 402.491 3.690 0 1 HHAF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)c2cccc(Cl)c2)[C@H]1O 5963864 YRPMCYJIXPHPFF-RTBURBONSA-N 400.814 3.876 0 1 HHAF CC(=O)N1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)c2ccccc2)C1 13442770 QFXKKCYUQILMFW-UHFFFAOYSA-N 405.479 3.531 0 1 HHAF Cc1cc2c(c(C)c1CCO)C(=O)[C@@H]([C@@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 14594731 XRQNPZAVERMVOM-HFZDXXHNSA-N 404.506 3.945 0 1 HHAF biogenic CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc(C)c2)s1 82173267 CKFCFKREGMMXOR-UHFFFAOYSA-N 407.543 3.806 0 1 HHAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NCc3ccccc3C)ncnc21 82180263 FBYAUMLAWCVQOT-UHFFFAOYSA-N 406.515 3.611 0 1 HHAF CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C)c4n3)cc2)CC1 95579117 ZZSYRUGQSJWOAC-UHFFFAOYSA-N 414.517 3.602 0 1 HHAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3cccnc23)CC1 101272456 HWBJWUBGNFSNFM-VBQYBYOBSA-N 415.493 3.539 0 1 HHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccccc1Br 117587488 FARLBNPYTMOLIM-UHFFFAOYSA-N 404.308 3.960 0 1 HHAF Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)c(C)c1CC(=O)O 141458340 JAKSHQRUFIOMLR-UHFFFAOYSA-N 414.465 3.976 0 1 HHAF NC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(NC(=O)CC3CCCC3)cc1)C2 166567731 YLETWLHPWOZZKT-UHFFFAOYSA-N 406.486 3.852 0 1 HHAF CC[C@H](C)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](C)CC)s2)s1 169697831 OGDSPCLHNCWSLK-TXEJJXNPSA-N 424.596 3.924 0 1 HHAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(N)s2)c(F)c1 224788637 CVHAVKQHVGYGIE-UHFFFAOYSA-N 406.508 3.670 0 1 HHAF O=S(=O)(/C=C\c1nc2ccc(I)cc2[nH]1)c1ccccc1 586923983 CPTAIMUBUSCKHZ-HJWRWDBZSA-N 410.236 3.612 0 1 HHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Br)ccnc3[nH]2)cs1 587014496 RKTDXHHTOCELBL-UHFFFAOYSA-N 410.297 3.869 0 1 HHAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(C(N)=O)c4[nH]3)cc2)cc1F 587147225 HCRQTPWXJUPEII-UHFFFAOYSA-N 416.456 3.808 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1 587181711 AGXKVZKNSMKXGE-LURJTMIESA-N 406.149 3.699 0 1 HHAF COC(=O)c1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1OC 587206041 UXMAEKLHKFWCTP-INIZCTEOSA-N 405.495 3.840 0 1 HHAF COc1c(F)c(F)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F 587276941 VCNGFNHZDQXIIQ-UHFFFAOYSA-N 416.149 3.740 0 1 HHAF CN(C)/C=C/[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342854 QCYNYIZNFWBKDG-SWQWZNSNSA-N 407.445 3.595 0 1 HHAF CN(C)/C=C/[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343385 SEUUUKDLVCWJGY-SWQWZNSNSA-N 407.445 3.595 0 1 HHAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587360833 WSUZDCSYLQWSNX-GMAHTHKFSA-N 406.365 3.800 0 1 HHAF CC(C)(C)OC(=O)N1CC(F)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587554939 JXXNTJIUPGZGAR-APWZRJJASA-N 415.417 3.681 0 1 HHAF O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587570632 OTAFDYDJIIHHBC-XXBNENTESA-N 420.348 3.749 0 1 HHAF Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587580794 ZJGCCAVVRYKIBT-GBXCKJPGSA-N 415.401 3.826 0 1 HHAF C[C@H]1CN(C[C@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587763425 YZMKNGCFWGITSK-XGNBGGDFSA-N 411.359 3.839 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCN(C)CC2)N1 587764261 CQNNWRZISRAMNQ-SZNDQCEHSA-N 418.354 3.964 0 1 HHAF C=CN1CC[C@H]([C@]2(CSC)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587843592 IZZLIQOTXZQQFV-FNFWKMNBSA-N 413.356 3.673 0 1 HHAF COc1cc2c(cc1OC)[C@](C)([C@@H](C(C)=O)c1ccccc1C(=O)O)N(C)[C@@H](C)C2 962640526 REHGLUILQUKSPZ-XYXGBRQHSA-N 411.498 3.866 0 1 HHAF O=C1c2ccccc2C(S(=O)(=O)O)=C[C@]12NCCc1cccc(-c3ccccc3)c12 962666731 LKNCJDVJUKIKBL-XMMPIXPASA-N 417.486 3.820 0 1 HHAF COc1ccc(Br)cc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229409 KVASDJJCSOBCKY-HKUYNNGSSA-N 413.271 3.694 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC(C)=O)c(OC)c4)OC[C@H]23)cc1OC 2356337856 FGPFMACOBGPDPV-BSWISCRUSA-N 414.454 3.713 0 1 HHAF F[C@H]1CN(Cc2nccs2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 2356682625 YMHXFEHMGFWWSM-FZMZJTMJSA-N 400.401 3.777 0 1 HHAF CCCN(CCC)C(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O 5058574 MEDSFDIPDCBTRU-UHFFFAOYSA-N 414.527 3.762 0 3 HHAF CCOC(=O)[C@@H](C)N1[C@@H](C)[C@H](c2ccccc2)Oc2ccc(Cl)cc2S1(=O)=O 96021297 TWTACZFWMABPFQ-IQUTYRLHSA-N 423.918 3.805 0 3 HHAF CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@H](C)C3)c(C)c2)[C@@H](C)C1 199272083 FBLNQPUDGFPTBG-YADHBBJMSA-N 420.601 3.763 0 3 HHAF NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1 1486855 KQWMBKXAUUWQNW-UHFFFAOYSA-N 401.797 3.859 0 1 HHAF COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 1783503 JGZGPLHLIOGETQ-IAGOWNOFSA-N 410.451 3.518 0 1 HHAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C(C)C 13559120 KRSRTEWWJDPHRT-INIZCTEOSA-N 408.543 3.937 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)O 13803833 HXNNABWLGZRTMD-INIZCTEOSA-N 401.406 3.760 0 1 HHAF O=C(Nc1c(O)cc(S(=O)(=O)O)c2ccccc12)c1c(O)ccc2ccccc12 13864587 SZYGGBPHIMFOIA-UHFFFAOYSA-N 409.419 3.903 0 1 HHAF O=C(NCc1cccc(-c2ccccc2)c1)c1nc(-c2cccs2)[nH]c(=O)c1O 28820293 BLHIHZSLLMLLKQ-UHFFFAOYSA-N 403.463 3.801 0 1 HHAF COc1cc(=O)n(Cc2nc3cc(CN)ccc3n2CCCCF)c2ccccc12 28824450 JBYVHQVBZGXFDI-UHFFFAOYSA-N 408.477 3.617 0 1 HHAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1 29134817 OSMXTIVEGNMCKM-UHFFFAOYSA-N 415.375 3.891 0 1 HHAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCCC3)ccc1C2=O 49069798 XWPJRSCGRMWLPR-UHFFFAOYSA-N 400.482 3.802 0 1 HHAF CCOC(=O)CN1C(=O)[C@@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 72121425 HZRMDFYIUZHUDP-CJFMBICVSA-N 421.493 3.744 0 1 HHAF CCCN(C)c1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 95579450 DBVAIWWZAHIRPF-KRWDZBQOSA-N 416.566 3.681 0 1 HHAF NC(=O)c1cc(-c2ncnn3cccc23)cn1-c1cc(C(F)(F)F)ccc1Cl 143024963 AQCJUVCWQCRCHB-UHFFFAOYSA-N 405.767 3.958 0 1 HHAF CC(C)[C@@H]1CC(=O)N[C@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 209022866 WHWVTFZQJAFIJR-KSFYIVLOSA-N 413.522 3.642 0 1 HHAF C[C@@H]1CCC[C@@H](N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 223910998 YLFKDWKDFAXSHQ-GUDVDZBRSA-N 414.571 3.996 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586940626 BJJGNOWGCIQBQX-MDZDMXLPSA-N 411.405 3.860 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 587031908 QKKXAJXLNDZWKJ-ISKYKNHCSA-N 400.533 3.854 0 1 HHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587041060 UXOGHPYEEJZNAY-LURJTMIESA-N 409.821 3.959 0 1 HHAF O=S(=O)(O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587157513 AACFMRVWNQIBSH-UHFFFAOYSA-N 408.414 3.955 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCCCO3)C[C@@H]1CCCO1 587197878 WQHYUEGBIDQVES-AWEZNQCLSA-N 403.479 3.640 0 1 HHAF Cc1nn(C)cc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342040 LHBCMXXWSFEPNF-VJABCOIJSA-N 421.472 3.903 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1)O2 587393403 HZXWIENOMFRREW-HKARXFIJSA-N 410.514 3.772 0 1 HHAF COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591938 IFFKKEDTJCPNQY-YKSBVNFPSA-N 402.402 3.982 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)nc2)N1 587764338 DMBISIJALURCRD-KPZWWZAWSA-N 405.315 3.992 0 1 HHAF O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccccc12 653787304 DOTYFYMBJHPLRJ-UPVQGACJSA-N 414.509 3.909 0 1 HHAF Cc1c(CC(N)=O)c(=O)oc2c(C)c(OCc3cccc(Br)c3)ccc12 1857550219 GBNHAQMXNAUIRQ-UHFFFAOYSA-N 416.271 3.779 0 1 HHAF O=S1(=O)C[C@H](c2ccc(F)cc2)c2c(C3CC3)nn(-c3ccccc3F)c2O1 1857552655 BPSCNTHGMCIERI-OAHLLOKOSA-N 402.422 3.882 0 1 HHAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3ccc(C(N)=O)nc3)ccc2N1C(C)=O 1857763050 ZOECILBNCIOJTG-NRFANRHFSA-N 414.509 3.999 0 1 HHAF COc1ccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c(F)c1 12718245 LHCAKGUVWMYMLD-SFHVURJKSA-N 408.477 3.871 0 3 HHAF NS(=O)(=O)c1ccc(-n2ncc(Br)c2-c2ccc(Cl)cc2)cc1 3814715 YVAOFGAOVRXLLB-UHFFFAOYSA-N 412.696 3.603 0 1 HHAF O=c1c(CC[S@@](=O)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1 3831483 AUMHDRMJJNZTPB-LJAQVGFWSA-N 404.491 3.684 0 1 HHAF biogenic CSc1ncccc1C(=O)NC[C@@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 11966129 GIWQDOFCVFMWKL-AWEZNQCLSA-N 412.902 3.647 0 1 HHAF Cc1cnc(-n2ncc(C(=O)NCc3ccccn3)c2C2CC2)nc1-c1cccs1 12030296 NMUPRPRITLWPKS-UHFFFAOYSA-N 416.510 3.902 0 1 HHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cc(Br)co2)cc1 13525262 PHCQCCQGWHJYNW-UHFFFAOYSA-N 401.669 3.952 0 1 HHAF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)NC(C)C)=C2 13553850 RKCYJJBUMGMRJB-OAQYLSRUSA-N 413.470 3.763 0 1 HHAF COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13740949 JZHLIUOZBXWYGJ-VWLOTQADSA-N 416.429 3.822 0 1 HHAF COC(=O)[C@@H]1Cc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2OC1=O 27089904 UWIRZSCFNDMBPR-SFHVURJKSA-N 407.422 3.522 0 1 HHAF COc1ccc(CCCN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc1 28637644 VVDOLAVJLQKKSH-UHFFFAOYSA-N 409.511 3.705 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cccc(N[C@H]3CCCNC3)c12 35277707 BXPQNWCRFGOEAW-INIZCTEOSA-N 406.511 3.713 0 1 HHAF c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1 38279943 BWMDINMAJBXMLE-UHFFFAOYSA-N 407.606 3.586 0 1 HHAF CCOC(=O)CCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(C)cc2)n1 45231021 UCVOFZDREJAPJD-UHFFFAOYSA-N 411.550 3.921 0 1 HHAF CCCC[C@@H](CC)C(=O)N1CCN([C@@H](CC)c2nc3ccccc3c(=O)n2C)CC1 45316271 ASFVPGNJHYYIMU-NQIIRXRSSA-N 412.578 3.745 0 1 HHAF O=C1c2cc(N3CCOCC3)ccc2N[C@H](Cc2ccccc2)N1c1ccc(O)cc1 72113606 QAJDRAQVLMFZJL-DEOSSOPVSA-N 415.493 3.870 0 1 HHAF COc1cc2nc(N3CCC(CCO)CC3)nc(NC3CCCCC3)c2cc1OC 82136438 VWRGGSPEKXIXCZ-UHFFFAOYSA-N 414.550 3.990 0 1 HHAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(Cl)cc1)CC3 82196115 WEVFLWZBNVPBTE-UHFFFAOYSA-N 418.884 3.781 0 1 HHAF C[C@@H]1c2ccc3c(c2[C@@]2(O)C[C@@H]4CC[C@@H]1N2C4)C[C@H]1[C@H]3CC(=O)[C@H]2C[C@@H](O)CC[C@@]21C 105488523 AZUWRZSYFHYMNP-XPQGFCRRSA-N 421.581 3.829 0 1 HHAF CC(C)(O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1 147499682 OPXDAHSASHZFEI-UHFFFAOYSA-N 405.903 3.792 0 1 HHAF NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)c(Cl)cc1Cl 169351737 AYFNVXHJZPBGPG-UHFFFAOYSA-N 403.678 3.746 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 169688656 OEFDADDUKUVRTO-IRXDYDNUSA-N 409.467 3.719 0 1 HHAF Cc1cnc(Nc2ccc([C@@H](C)N)cc2)nc1CCc1ccccc1C1(C(N)=O)CC1 211028923 TVHISEZISKGSQX-QGZVFWFLSA-N 415.541 3.850 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3cc(Br)c(C)c(C)c3[nH]2)CC1 586953337 SKIHEQMIRLITMU-UHFFFAOYSA-N 414.369 3.861 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)nc(Cl)c2[nH]1 586965475 YKPIXODISXYGBI-UHFFFAOYSA-N 423.333 3.722 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2c(Br)ccnc2[nH]1)C(F)(F)F 587091303 CWPSDTUEYNLUKU-HNNXBMFYSA-N 415.213 3.884 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2c1 587166757 IKKGDUMOICQDCD-SREVYHEPSA-N 418.222 3.903 0 1 HHAF COc1cc(C)c(N)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587248685 FJVJVTRVFJYISD-UHFFFAOYSA-N 414.634 3.782 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1nn(C(=O)OC(C)(C)C)c4ncccc14)[C@@H](C2)C3=O 587432551 QOHHOKUGEUPPRR-IFXJQAMLSA-N 407.426 3.712 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O 587444300 YYPYBEQIZJNPJD-NBGIEHNGSA-N 416.429 3.850 0 1 HHAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569068 FALBDDUBRILPMY-SJODRWRQSA-N 405.450 3.866 0 1 HHAF COc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1 587652308 ORNJANAXHDAKJV-UHFFFAOYSA-N 410.813 3.919 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OCC)cc2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962575022 VHTBWCSVPCNRBW-FYSMJZIKSA-N 413.514 3.786 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(Cn3cccn3)cc2)N1 962699543 PAMOSPHJEIPJIE-OALUTQOASA-N 419.378 3.778 0 1 HHAF CCOC(=O)C[C@]1(c2cccnc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962719104 YDKHPKAKCHIHJC-JTSKRJEESA-N 400.519 3.781 0 1 HHAF CC(C)c1nn(C)c2c1[C@@](CC1OCCO1)(c1ccccc1C(F)(F)F)NCC2 962916660 CZEQYJSTDRTHBC-HXUWFJFHSA-N 409.452 3.715 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1C(C)(C)Br 963139958 IXCCLWGTUXYIQS-GXSJLCMTSA-N 405.314 3.604 0 1 HHAF CC(C)[C@H](N)[C@@]1(C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963415221 KVWTZICOTQZTAQ-SKPFHBQLSA-N 405.498 3.518 0 1 HHAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@H]1c1ccccc1Cl 1857773102 JJXSZGDVJOKOFY-SFHVURJKSA-N 403.916 3.798 0 1 HHAF COCCCOc1cccc(C[S@@](=O)c2nc3cc4c(cc3[nH]2)CCO4)c1C 1911570346 JYSIFLQJDVIWKM-MUUNZHRXSA-N 400.500 3.529 0 1 HHAF CC(C)=C[C@@H]1O[C@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H](C)[C@]12O 2356401853 QRUZTMJNZQJLOO-UFQWFXSASA-N 416.558 3.990 0 1 HHAF O=C1C[C@H](c2ccccc2)NCCCN(C(=O)C=Cc2ccccc2)C=CCCN1 2356608311 KPKZFSIYSKUMNN-HSZRJFAPSA-N 403.526 3.673 0 1 HHAF CC[C@H](C[C@@H](CC=C[C@@H](O)c1ccc(O)cc1)S(=O)(=O)O)c1ccc(O)cc1 2356818367 DTCNCUANKHRPPV-IPHXSNPTSA-N 406.500 3.918 0 1 HHAF O=C(c1cnccn1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1 3626029 JWGUDDMHZNCSGD-UHFFFAOYSA-N 410.518 3.864 0 3 HHAF O=C(CN1CCC(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(C(=O)O)cc1 5008312 RFPYHVVQOSZRNK-UHFFFAOYSA-N 400.862 3.572 0 3 HHAF COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)c1 11954636 WBWIEGZLTOOIER-INIZCTEOSA-N 416.468 3.922 0 3 HHAF CN(Cc1ccco1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 14989183 XFGBQWBCQYOXMD-RUZDIDTESA-N 416.477 3.622 0 1 HHAF CC[C@H](O)CN(C(=O)CCCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1 27633036 KPGCOKDHPMZLFJ-FQEVSTJZSA-N 410.514 3.925 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1cccc(CC(=O)O)c1 27873384 CQTJEFXDJIDSSP-OAQYLSRUSA-N 410.470 3.577 0 1 HHAF N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 28826114 WGLLJSNACVSQBP-UHFFFAOYSA-N 413.525 3.766 0 1 HHAF Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)[C@H](C)C3)cccc2n1 38565493 DZBLKVHBOHYUNY-GOSISDBHSA-N 416.525 3.627 0 1 HHAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1c[nH]ccc1=O 40939738 IDGGNGDMAFQEGU-UHFFFAOYSA-N 416.281 3.851 0 1 HHAF CCc1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F 45186760 ZSCLFVQAVIWFCX-UHFFFAOYSA-N 416.444 3.868 0 1 HHAF CN(C(=O)CNc1ccc(Cl)c(Cl)c1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 53261997 KZHXTQLIQQXDLK-FXAWDEMLSA-N 422.356 3.672 0 1 HHAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 72175858 PEUXWSARWNDXOQ-OXQOHEQNSA-N 418.946 3.809 0 1 HHAF CCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCCC[C@@H]4C)c3c2C)CC1 82091209 VKOZAIWDVVBKGJ-HNNXBMFYSA-N 415.607 3.855 0 1 HHAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82180080 XKSBYJUZTYLGNF-UHFFFAOYSA-N 418.545 3.761 0 1 HHAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2F)cs1 82195366 AMHUGDFCWRWYIF-HNNXBMFYSA-N 415.531 3.775 0 1 HHAF CC(C)c1ccc(NC(=O)c2cccnc2F)c(N2CCN(c3cnccn3)CC2)c1 84619910 RSVXIPBXKOYFQF-UHFFFAOYSA-N 420.492 3.713 0 1 HHAF CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccccc3)[C@@H](O)[C@@]12C 95562562 MHAKHNGSHRWWIU-RPWUZVMVSA-N 418.449 3.841 0 1 HHAF COc1ccccc1OCCNC[C@H](O)COc1cccc(Nc2ccccc2)c1 96939635 NWWXLAOTZNBDMO-NRFANRHFSA-N 408.498 3.847 0 1 HHAF Cn1ccc(NC(=O)Nc2cccc3c2[C@@H]2CC4(CCN2C3=O)SCCS4)n1 118090567 RWFQRMJMRKWFGI-AWEZNQCLSA-N 415.544 3.531 0 1 HHAF c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5(COC5)C4)cc3)c2n1 140613677 IUESGRQIZDYJES-UHFFFAOYSA-N 423.480 3.853 0 1 HHAF O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)N[C@H](CCc2ccccc2)C1=O 169727266 BHLLOWUBZTXFOH-FGZHOGPDSA-N 404.510 3.989 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)O2 205778371 YPJIPLSVRAVZGE-QHCPKHFHSA-N 403.543 3.884 0 1 HHAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CC[C@@H](C)C3 206143036 LNJYGCAFEIECPH-ZMZPIMSZSA-N 408.458 3.701 0 1 HHAF CCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(=C(C#N)c2ccc(Cl)cc2)CC1 222813727 HIPWXCNVKOZTAR-UHFFFAOYSA-N 418.950 3.950 0 1 HHAF O=C1C[C@H](c2ccccc2)NCCCN(C(=O)/C=C\c2ccccc2)CC/C=C/N1 238733940 AORCSZCLPCSPAQ-HACBULHBSA-N 403.526 3.673 0 1 HHAF COc1nccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586954259 GOOPGJALKQTICO-UHFFFAOYSA-N 422.510 3.688 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375938 WCDFXWMJFBJANG-LQBOVUBWSA-N 416.470 3.945 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NS(C)(=O)=O)c(F)c1)CC2=O 587467391 QYXLKRIWUNWJSX-HXUWFJFHSA-N 407.463 3.736 0 1 HHAF CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517218 JJKOWZLXDRDFPE-LJSORYGZSA-N 412.530 3.966 0 1 HHAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC 587747546 LYFIQAHVADUOBJ-DGIBIBHMSA-N 409.299 3.985 0 1 HHAF CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C 587771312 FWLVNHZBPJGZBZ-YBTHPKLGSA-N 403.295 3.905 0 1 HHAF COC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587797974 WTQKUHDZGHTOFM-MPBGBICISA-N 422.294 3.938 0 1 HHAF CC(=O)Nc1ccc(-c2cnc3ccc(-c4ccc(N5CCOCC5)cc4)nn23)cc1 653778389 HHJVCTHHTXRYJA-UHFFFAOYSA-N 413.481 3.858 0 1 HHAF COC(=O)c1nc(N)sc1[C@@]1(c2ccc(F)cc2)NCCc2ccc(F)c(C)c21 962092068 MFGYNBUYGXDKBF-NRFANRHFSA-N 415.465 3.536 0 1 HHAF COc1ccc(C2=NO[C@H](CN3CCN(c4nsc5ccccc45)CC3)C2)cc1 1772610682 QMBQTZIPAHGODN-SFHVURJKSA-N 408.527 3.620 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCc1ccccn1)CC3 1772622472 CBFWQXJQDRSETG-KRWDZBQOSA-N 402.523 3.548 0 1 HHAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)N(C)Cc2cccnc2)C[C@H]1C(C)C 2356314080 DGIPWTBMXNXRQS-HKBOAZHASA-N 400.567 3.604 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(CCC=CCCCCN[C@@H]21)C3 2356466527 JTIJGTARYKLTGJ-QUMGSSFMSA-N 414.634 3.957 0 1 HHAF CC=C1C[C@@H]2[C@H](OC)Cc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356519651 LIJUHCYJZPDEAU-MSCAUHQBSA-N 413.514 3.585 0 1 HHAF CCCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2131566 DYYDKRZIMYLDMG-YADARESESA-N 424.545 3.534 0 1 HHAF biogenic Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@@H](C)C(=O)NCc1ccccc1 6916537 JMKDIOPUABOPEJ-KRWDZBQOSA-N 400.482 3.588 0 1 HHAF COc1ccc(CN2CCOc3ccc(CN4CCCC[C@@H]4CO)cc3C2)c(F)c1 14879274 VBQWXXOAWQIDLX-OAQYLSRUSA-N 414.521 3.576 0 1 HHAF COc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 29404655 OZXZGSGCJCYIPA-UHFFFAOYSA-N 401.415 3.854 0 1 HHAF CCN(CC)CCCNc1nc(=O)c(-c2cn(-c3ccccc3)c3ccccc23)n[nH]1 35032327 VYYQBSWKFXFNJC-UHFFFAOYSA-N 416.529 3.920 0 1 HHAF COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1Cn1ccnc1)OCO2 45356007 QXCTXMBVBONDPQ-UHFFFAOYSA-N 401.422 3.797 0 1 HHAF CC[C@]1(S(=O)(=O)c2ccc(Cl)cc2)C[C@H](CO)Oc2c(F)ccc(F)c21 49124809 FZYSHOYLPJWVPZ-XIKOKIGWSA-N 402.846 3.841 0 1 HHAF O=C(/C=C/c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Br)cc1 72111482 PDJSLQRAXBOMFL-XCVCLJGOSA-N 400.681 3.621 0 1 HHAF CN(Cc1c(F)ccc(Cl)c1Cl)C(=O)c1cc(-c2cnn(C)c2)cnc1N 84710441 QWIOPSFWNAYVQL-UHFFFAOYSA-N 408.264 3.782 0 1 HHAF C=CCONCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95535303 VPKRTZRTWXWZMX-JOCHJYFZSA-N 424.497 3.856 0 1 HHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(Br)o3)ccc12 96905945 BXBFJAQXZLMKQF-KRWDZBQOSA-N 405.273 3.971 0 1 HHAF CC(C)COc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N 117395889 AXKWKVCOTZWOKV-OAQYLSRUSA-N 418.497 3.879 0 1 HHAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(CN(C)C)cc21 144324306 RPHQHONTYLPFAB-CQSZACIVSA-N 420.966 3.811 0 1 HHAF C[C@H](Nc1nc(Cl)cc(N2CCOC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1 205159104 FWKRVPIRNNHJBL-VIFPVBQESA-N 421.244 3.963 0 1 HHAF C[C@H]1Cn2c(nnc2-c2cnco2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219167786 VPBMYOKKNUGDHS-VIFPVBQESA-N 411.771 3.650 0 1 HHAF CN(C)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(-c4cccc(OC(F)F)c4)nc3n2)C1 221406737 UIWBERNVTWJGAS-CQSZACIVSA-N 415.444 3.531 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1cc(C)ncc1F 261139387 MTSWQBRGBADNCL-IBGZPJMESA-N 423.444 3.854 0 1 HHAF COC(=O)c1cc(Br)c2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 586909251 VYHFSJOAKMAGIE-UHFFFAOYSA-N 401.216 3.751 0 1 HHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587002147 WXSFUDRZTORKGR-ZDUSSCGKSA-N 417.238 3.887 0 1 HHAF Cc1nc(COc2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)cs1 587020183 GBTHGSDCAXNHOI-UHFFFAOYSA-N 401.469 3.821 0 1 HHAF CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587222329 KBJSOYFTKQQTCN-LBPRGKRZSA-N 401.186 3.928 0 1 HHAF O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)n1ncc2ccc(Cl)cc2c1=O 587652138 XAFSDJMOOJNDPJ-UHFFFAOYSA-N 418.762 3.943 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 587741640 HWKQOMAZOHWTFJ-CDNVCLAFSA-N 421.314 3.593 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C2=O)N1 587767091 IKWZADBDFQLNPD-RBZFPXEDSA-N 403.295 3.750 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587791547 JZGNUHJRLIQDDG-OVWNDWIMSA-N 405.267 3.717 0 1 HHAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C=O)c1 587805530 HIGMIOIKYCTDOO-YPMLDQLKSA-N 406.251 3.811 0 1 HHAF COC[C@@]1(CCCCC2OCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587835689 XREOTPKBURXSLP-BFUOFWGJSA-N 416.331 3.897 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nn1C(F)F 587868043 IQRFWJMXSJJXEG-UHFFFAOYSA-N 401.295 3.561 0 1 HHAF CCOC(=O)[C@H]1Cc2ccncc2[C@]12NC1(CC1)Cc1ccc(Br)cc12 961611854 DTNMVYSVHZJLQM-DYESRHJHSA-N 413.315 3.501 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(C=C(c3cccc(O)c3)Oc3ccccc32)N1 962892937 HRHRCDWZNHGSPL-GBXCKJPGSA-N 403.409 3.807 0 1 HHAF c1ccc(CN2CCOC[C@@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962999387 RGNIJHOHUNDXQP-DEOSSOPVSA-N 405.567 3.929 0 1 HHAF COc1cccc(-c2cc3c(c(O[C@@H]4CCN(C)C4)c2)OCCN(C(=O)C2CC2)C3)c1 1772628655 FXPUWPPJUNSHAS-JOCHJYFZSA-N 422.525 3.576 0 1 HHAF COc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCCCC4)c32)cc1 36382410 KLRJRNISIUJITI-LJQANCHMSA-N 409.534 3.849 0 3 HHAF COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc5c(c4)OCO5)C3)n2)cc1 201454430 PSRJHXBHZMKDDV-HNNXBMFYSA-N 422.441 3.885 0 3 HHAF CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NC)CC(C)(C)O2 2487708 UZNURJRVVIWOKI-PKOBYXMFSA-N 417.550 3.639 0 1 HHAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOCCO 4310638 OEAQOQCBRYMHMU-RTBURBONSA-N 414.905 3.618 0 1 HHAF COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 5070876 PKWQQGZFQZKYSO-RBBKRZOGSA-N 424.541 3.996 0 1 HHAF COc1cc2c(cc1OC)C(=O)N([C@H]1CCCN(CCCOc3ccccc3)C1)CC2 13558921 HZDSTWAUUJSXGD-FQEVSTJZSA-N 424.541 3.636 0 1 HHAF COc1ccccc1N1CCN(CCCSc2ccccc2C(=O)N(C)C)CC1 13764509 AWQSDGXLSKTXKZ-UHFFFAOYSA-N 413.587 3.701 0 1 HHAF CCCCOC(=O)n1c2cc(OC)ccc2c2oc(C(=O)N3CCOCC3)cc21 26384970 GPAUZMNLYNGPFT-UHFFFAOYSA-N 400.431 3.653 0 1 HHAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2scnc2C)CC1 27893149 RFQFLEFSHHKFPB-UHFFFAOYSA-N 401.576 3.918 0 1 HHAF O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 28866891 HYFUBQUHWHQSOK-LJQANCHMSA-N 419.312 3.664 0 1 HHAF COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(SC)c1OC 40405101 VTRGCHNNWCTNQY-SFHVURJKSA-N 413.451 3.523 0 1 HHAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCc3ccc(C)cc3)c2cc1OC 82130207 QBCAZAMRYFCYJR-SFHVURJKSA-N 422.529 3.776 0 1 HHAF C[C@@](O)(c1ccccc1)c1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 100618790 MUKLAWDKMYGQSN-HCOMASKESA-N 414.509 3.863 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@@H]2CCCOC2)cn1 143364726 JXGYQTATJDAVLF-KRWDZBQOSA-N 407.470 3.780 0 1 HHAF C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 169291130 XXDIJWSZFWZBRM-FRZFZNAFSA-N 402.531 3.692 0 1 HHAF COc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 169338804 KLDVBUSQZRJHLA-FKBYEOEOSA-N 410.543 3.775 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCC(F)F)cn3)C2)cc1 169709326 OBAKCPAMIYCMNL-MGPUTAFESA-N 419.472 3.970 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 586945229 DJKQFLOCRJHNJH-GFCCVEGCSA-N 423.897 3.788 0 1 HHAF COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 587238550 DHBZCQPNFRWJDB-QURLWZIUSA-N 402.495 3.522 0 1 HHAF COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cnc1N 587392169 XQFVWPKRLQVMKP-HXUWFJFHSA-N 403.438 3.715 0 1 HHAF COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506896 QNTQZQOMMXCAHJ-QHCPKHFHSA-N 414.404 3.837 0 1 HHAF COc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587540830 BXWYNXXLMQIPFN-UGKGYDQZSA-N 412.825 3.904 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587825793 FKGSBMFFISSGQE-ODXCJYRJSA-N 420.278 3.718 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 587961677 NNXHJVMJZOLOJI-UHFFFAOYSA-N 417.259 3.720 0 1 HHAF CCOC(=O)C[C@]1(c2nccs2)NC2(CC2)Cc2ccc(Br)cc21 961610141 ANQATBNLWGVVKA-SFHVURJKSA-N 407.333 3.781 0 1 HHAF COc1cc2c(cc1OC)[C@H](/C=C\c1cn(Cc3ccccc3)nn1)N(C)[C@@H](C)C2 962620457 HZZKRHFJWDHWQZ-WKUOWLGXSA-N 404.514 3.975 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@](c2ccc(F)cc2)(c2cnccn2)N1)C(F)(F)F 962731220 QHKSBZJTWXLYMK-YLJYHZDGSA-N 401.363 3.553 0 1 HHAF CC(C)c1nn(C)c2c1[C@]1(CC(C)(C)CC3=C1[C@]1(C)CC(=O)N(C4CC4)[C@@H]1O3)NCC2 962915534 AGLLTNKVMSRRJU-VJTSUQJLSA-N 424.589 3.716 0 1 HHAF CCC[C@@H](N1CCCC1)[C@@]1(c2ccc3c(c2)OCO3)NCCc2c1c(C(C)C)nn2C 962922936 SHBDOYQRJZRNNE-RCZVLFRGSA-N 424.589 3.926 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cc(OC(C)=O)cc(OC(C)=O)c1 963052005 ZYMMTQJWNLAWED-DEOSSOPVSA-N 420.465 3.503 0 1 HHAF O=C(NCC1CC1)[C@@H]1CN(c2ccccc2)CC(=O)N1c1ccc2ccsc2c1 1772604777 DOEAFXSZVKSSQJ-FQEVSTJZSA-N 405.523 3.649 0 1 HHAF Fc1ccc(Nc2cc3nc(Nc4ccc(N5CCNCC5)cn4)[nH]c3cn2)cc1F 1857554142 KVZBUURMKZOAKM-UHFFFAOYSA-N 422.443 3.528 0 1 HHAF O=S1(=O)C[C@@H](c2cccc(F)c2)c2c(C3CC3)nn(-c3ccccc3F)c2O1 1857616162 KUKOXQJBXQDWQJ-HNNXBMFYSA-N 402.422 3.882 0 1 HHAF COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc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c1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@@](C)(O)C2 14692438 LZUYISWUVHJQPR-MYODQAERSA-N 418.486 3.588 0 1 HHAF biogenic CN1CCc2cc(-c3ccc([C@H](c4ccccc4)N4CCNCC4)cc3)ccc2C1=O 22939762 HRURBZJXWNXPLL-SANMLTNESA-N 411.549 3.976 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3C(=CC(=O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 33820949 HCDVKUCCEWBCPW-WYSTZKRTSA-N 404.547 3.577 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccccc1C 40392103 BPNXVEYIIRHUPM-PMACEKPBSA-N 419.550 3.946 0 1 HHAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CN(C)C)CC[C@@H]12 49069614 PDOOONPOBVKBTN-OEBXLPCGSA-N 420.619 3.865 0 1 HHAF CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069560 DRKCOAOFZIYTQE-QGZVFWFLSA-N 415.559 3.546 0 1 HHAF CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCCN1CCCC1=O 82178943 SFJJVBFBLRYKOK-UHFFFAOYSA-N 412.563 3.711 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H]1CO[C@@H]2[C@@H]1C 85836825 MVOPFIRCIHUXFO-RGIROJJOSA-N 414.454 3.996 0 1 HHAF biogenic,in-vitro CCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@@H](c4ccc(Cl)cc4)C3)nc2c1 95574386 RSRJKYSNIMINDZ-GOSISDBHSA-N 405.907 3.588 0 1 HHAF Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1NC(=O)C1CCC1 96916334 CFOFCUAQALFPIW-UHFFFAOYSA-N 405.458 3.917 0 1 HHAF CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C 195114736 WQFIZWCFRFXCPS-MDNKFWRPSA-N 402.563 3.907 0 1 HHAF COc1cc(OC)cc(N(C[C@@H](C)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204170815 RELGFRXCVJYWMA-OAHLLOKOSA-N 419.485 3.566 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H](O)C2 215356088 ZOGKFZFUSNPOTE-FYYLOGMGSA-N 406.434 3.656 0 1 HHAF C[C@@H]1CCC[C@H](N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 223910884 YLFKDWKDFAXSHQ-CEXWTWQISA-N 414.571 3.996 0 1 HHAF CC1=CCC[C@H]2[C@@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CC/C(C)=C/CO 238732388 JDKUSIUPEUOZEW-MUFKJQONSA-N 422.562 3.863 0 1 HHAF COc1ccc(C[C@H](O)[C@H]2CO[C@H](Cc3ccc(OC)c(OC)c3)[C@H]2C)cc1OC 238766684 SWGSNNIJAYRWAL-SXTKRDDTSA-N 416.514 3.518 0 1 HHAF Cc1c[nH]c2ncnc(C3CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12 299837727 PIHWOKGTWVJGMD-UHFFFAOYSA-N 422.489 3.738 0 1 HHAF C[C@@H]1c2nnc(-c3cnccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 473106897 ZAJVOXZSUBHRRY-SNVBAGLBSA-N 422.798 3.624 0 1 HHAF COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586962119 USPGBAQHDWHXSU-WBAXXEDZSA-N 412.515 3.661 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@H]2CCCC[C@H]21 586962528 XNYWQQZPSJMZGX-HBGVWJBISA-N 411.527 3.750 0 1 HHAF N[C@@H](N=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018513 FOZITFLXRLWBLW-IBGZPJMESA-N 407.455 3.772 0 1 HHAF CC(=O)Nc1ccc(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587050409 NHCJCXIENPSAJM-UHFFFAOYSA-N 408.849 3.901 0 1 HHAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2nncn12 587338296 NSLAYVGMJKNYEK-UGKGYDQZSA-N 404.401 3.552 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O 587430542 VHWUSVVXRLAFPT-TVTNDZMWSA-N 424.497 3.590 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccncc1)CC2 587583305 RNKIGCHSXVWHKU-OAQYLSRUSA-N 402.450 3.784 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCOCC2)c1 587597514 VJTJRLJNVHPHAI-ZJSXRUAMSA-N 403.434 3.932 0 1 HHAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 587744146 GGXRDIOWBAUKOR-VPTHRUTESA-N 406.255 3.944 0 1 HHAF CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)[C@H]3C[C@H]21 618016911 UMTFUJUSADOGPS-JYRKZWEQSA-N 409.482 3.982 0 1 HHAF COc1ccc([C@H](O)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653757202 VUSUIHOSCZDQFV-OALUTQOASA-N 404.434 3.803 0 1 HHAF NC(=O)c1cncc(OCc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 653878893 ZWXULYNEHJZJHT-UHFFFAOYSA-N 405.498 3.914 0 1 HHAF CC[C@]1(c2ccc(C)[n+]([O-])c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963749 WZPGCWFJEYIGPB-OAQYLSRUSA-N 406.448 3.952 0 1 HHAF CCN1CCN(c2ccc(Nc3ncc(F)c(-c4cnn(C(C)C)c4)n3)cc2)CC1 1857573590 BKNHUMOIKTVRHN-UHFFFAOYSA-N 409.513 3.946 0 1 HHAF CN1CCN(c2ccc(-c3cn4c(-c5cccc(Cl)c5)cnc4cn3)cn2)CC1 1857615251 UNVMSGFKNFDZIJ-UHFFFAOYSA-N 404.905 3.864 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2CC[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@@H]21 2356813545 CHWCXTAKZKUCIZ-UUCIAZDESA-N 412.567 3.774 0 1 HHAF COC(=O)[C@H]1Cc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2OC1=O 27089912 UWIRZSCFNDMBPR-GOSISDBHSA-N 407.422 3.522 0 1 HHAF CN1C(=O)S[C@@H](Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C1=O 27313588 XMUXBLCLJGJRMX-SFHVURJKSA-N 411.483 3.579 0 1 HHAF CNc1cc(OC)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl 27983874 RVBDWZKWSXQLMF-NVXWUHKLSA-N 401.938 3.888 0 1 HHAF O=C(O)CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[C@H]2CCCCC[C@@H]21 53122798 HNROBLLXPPBPNO-MJGOQNOKSA-N 418.490 3.947 0 1 HHAF O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1 72125169 XXIXUFWGNLLBPB-UHFFFAOYSA-N 418.541 3.909 0 1 HHAF Nc1scc(CN2CCN(c3ccncc3)CC2)c1C(=O)c1ccc(Cl)cc1 73221113 PTDILEGANSBTSE-UHFFFAOYSA-N 412.946 3.932 0 1 HHAF CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 82171858 MVOZXYUUXRYEDC-GOSISDBHSA-N 421.607 3.662 0 1 HHAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 82209208 SDVOEGGPYDNJMK-NRFANRHFSA-N 418.541 3.921 0 1 HHAF CCOc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OCCF 96283875 BNOTWTVEHQVVPB-UHFFFAOYSA-N 421.523 3.804 0 1 HHAF O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1Cc1ccc(Cl)cc1 103254247 UVGJCALZZHOPHN-UHFFFAOYSA-N 401.827 3.536 0 1 HHAF CCCCNC(=S)N1CCC(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)CC1 103277410 XGPNXJBUMYOIMO-QGZVFWFLSA-N 404.576 3.836 0 1 HHAF NC(=O)c1ccc(-c2cccc(OCCN3CCN(C4CCCCC4)CC3)c2)cc1 117114385 WUMXVWITUCEGPE-UHFFFAOYSA-N 407.558 3.782 0 1 HHAF C[C@@H]1CC[C@@H](Oc2cccc3cnccc23)CN1C(=O)c1ccccc1-n1nccn1 118557595 HMRXGDJBJTWHMJ-IEBWSBKVSA-N 413.481 3.888 0 1 HHAF CCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 149879207 YSEMUIFELHGCRR-UHFFFAOYSA-N 411.893 3.807 0 1 HHAF O[C@@H](COc1ccccc1)CN1CCN(c2ccc(Cc3ccc(F)cc3)cc2)CC1 164348238 XGEAWUDPENFQCI-RUZDIDTESA-N 420.528 3.978 0 1 HHAF CCCCCC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC)(OC)OC 169315845 MQXCYGPEFGBPLG-PCLKKHKQSA-N 414.583 3.984 0 1 HHAF CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c21 299857981 FXZFAZROTLMFTB-UHFFFAOYSA-N 424.541 3.745 0 1 HHAF CC[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)n1cc(I)c(C)n1 587185502 VDUIASJGMXUODI-CQSZACIVSA-N 406.231 3.548 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587228098 FRYRAWPHNLZTSO-UHFFFAOYSA-N 403.442 3.918 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239149 ILGNJEMUUWVYEQ-ODIUBACGSA-N 415.490 3.816 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587444101 YCPNKHNWAIAVBL-QMHKHESXSA-N 412.438 3.610 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC(=O)[C@H]1c1ccccc1)[C@@H](C2)C3=O 587450104 DEHVJVXKDFLFNP-FKRCVWNDSA-N 414.413 3.747 0 1 HHAF O=C(O)CSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532407 MMKFBEVLPLUMGP-JOCHJYFZSA-N 409.463 3.555 0 1 HHAF CCOc1ccc(-c2nn(-c3ccc(OC)nn3)c(=O)c3ccccc23)cc1OCC 587668929 JCBOYRZIQKNUFY-UHFFFAOYSA-N 418.453 3.649 0 1 HHAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 587760032 NSRLJINSMRFTQW-GIGQVBGESA-N 407.283 3.668 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800827 ZSTPXYXIBKRGSN-NSPYISDASA-N 414.315 3.886 0 1 HHAF CCN(c1ccc(-c2csc(-c3cccc(C(N)=S)c3)n2)cc1)S(C)(=O)=O 587922462 CXSDPWJEHTZYLI-UHFFFAOYSA-N 417.581 3.897 0 1 HHAF CN(C)CCCOc1ccc(-c2cn3c(-c4ccc(N(C)C)cc4)cnc3cn2)cn1 653678239 ATIUPDCQOUDXDR-UHFFFAOYSA-N 416.529 3.855 0 1 HHAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)N1 962950487 NHWNBPJDIGNIGM-GOSISDBHSA-N 417.509 3.922 0 1 HHAF CCOC(=O)C[C@@]1(COc2ccccc2)NCCc2cnc3c(OC)cccc3c21 963054471 JMMDMGXWPHVDRR-DEOSSOPVSA-N 406.482 3.617 0 1 HHAF CC[C@H](C)[C@]1(C(=O)O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963452658 YMMDVNQDGGLISB-BSTGMLCMSA-N 420.465 3.646 0 1 HHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F 1772602180 LRNLMCLJNYNJTQ-YVEFUNNKSA-N 405.901 3.905 0 1 HHAF Cc1c(NC(=O)c2cc(CNCCO)cn3ccnc23)cccc1-c1ccccc1 1857585989 NZNRUTSWJWBCNB-UHFFFAOYSA-N 400.482 3.644 0 1 HHAF O=C(CCCN1C(=O)c2cccc(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1 1857595777 STBYKHVWYMJRTI-UHFFFAOYSA-N 403.413 3.903 0 1 HHAF COc1cncc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)c1 1857613154 KLRHVYIKUMOTHW-UHFFFAOYSA-N 423.498 3.617 0 1 HHAF CCCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857752940 PFHPUQTYKDOHGM-SFHVURJKSA-N 404.493 3.842 0 1 HHAF CO[C@]1([C@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)C=CCCC(C)=CC(=O)O2)O1 2356530702 QFJACOUEVLILBV-GANPKANLSA-N 409.548 3.958 0 1 HHAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@@H]2[C@H]1O 2356821535 GBZKBMKOFSFJKG-HTQYXNETSA-N 406.611 3.645 0 1 HHAF O=C(CC[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)NCc1ccc(F)c(F)c1 12452982 ILBLZOXWNAVVQB-ZDUSSCGKSA-N 406.395 3.942 0 3 HHAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1cccc(OC)c1 95601614 QTVOEEYDUHTOET-IBGZPJMESA-N 400.475 3.713 0 3 HHAF CCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 2459438 FLEAULQKEWOTOD-RTBURBONSA-N 402.516 3.544 0 1 HHAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[P@@](=O)(O)OCC 13470212 UOQWOMBLBIOECS-GPPPFWBLSA-N 418.511 3.790 0 1 HHAF CC(=O)[C@H](O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@@H]1O 14691245 QWSRTOLIHWJYKS-HYRJGXKQSA-N 420.546 3.524 0 1 HHAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C 14975719 ZMWXDKBXXDQKSV-UHFFFAOYSA-N 413.472 3.997 0 1 HHAF Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCC(=O)Nc1ccccc1 26505071 YMFUOJORHRWYOX-UHFFFAOYSA-N 418.522 3.594 0 1 HHAF CS(=O)(=O)c1ccc(-c2nc(NCc3cccnc3)cc(C(F)(F)F)n2)cc1 29132389 OSZHGKPTGZDZDD-UHFFFAOYSA-N 408.405 3.573 0 1 HHAF CN(C)C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 34661353 DFQVTIQWMNGTMT-JXMROGBWSA-N 414.527 3.639 0 1 HHAF COc1cc(Nc2cncc(Nc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC 40938083 CDCSUDFIXLBRCN-UHFFFAOYSA-N 409.446 3.948 0 1 HHAF CC(C)(C)Oc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 40953325 WAFAHQGOAOMFPP-UHFFFAOYSA-N 422.522 3.624 0 1 HHAF O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OCCCN2CCOCC2)cc1 43022016 OBZZDNUJCVZFFU-UHFFFAOYSA-N 422.447 3.988 0 1 HHAF CC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 45357936 KDFWMEDNCJHMME-UHFFFAOYSA-N 414.449 3.503 0 1 HHAF Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)[n+](=O)c2ccccc2n1O 64510612 VOHVVJBQGXJBSE-UHFFFAOYSA-O 400.458 3.663 0 1 HHAF COc1cc(/C=C(/Cc2cc(OC)c(OC)c(OC)c2)[N+](=O)[O-])cc(OC)c1OC 84669324 HLVZEVALXOATIP-CHHVJCJISA-N 419.430 3.599 0 1 HHAF Cc1ccc(C)c(C2=C(OC(=O)Cc3ccccc3)C3(CCC(=O)CC3)NC2=O)c1 103171916 XCRWQXVODYMJLJ-UHFFFAOYSA-N 403.478 3.812 0 1 HHAF CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)CCCCCN)nc12 147370190 FUNKDCBNXPEVIP-LJQANCHMSA-N 410.566 3.757 0 1 HHAF COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 169363038 AFXKNDHWOJNFSQ-FKBYEOEOSA-N 410.543 3.775 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC(F)F)c3F)C2)cc1 169709353 FKZRNZAIDZYSTD-SUMWQHHRSA-N 422.451 3.753 0 1 HHAF CCOc1ccc2ccc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)cc2c1 212415225 KMHCRQINFJTBPW-UHFFFAOYSA-N 402.502 3.627 0 1 HHAF in-vitro Cc1cc(C)n(CC(=O)Nc2ccc(SC[C@@H]3CCCN4CCCC[C@@H]34)nc2)n1 504269257 OCTGRGFOWLDPNW-ICSRJNTNSA-N 413.591 3.890 0 1 HHAF biogenic COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586886439 PRHHWPZUGVMWLD-AWEZNQCLSA-N 413.499 3.989 0 1 HHAF Cc1c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905710 ZQWZDMOOZCLNSU-GFCCVEGCSA-N 400.378 3.795 0 1 HHAF CCOC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586990087 UWPSYUQSWPDWTM-NSPYISDASA-N 401.418 3.560 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1Br)OCCO3)O2 587372354 PNBKJPXGXXWGBP-LJQANCHMSA-N 404.260 3.992 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCC(=O)O)O2 587377841 PFLYGOZEGBHBGF-INIZCTEOSA-N 406.232 3.510 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(F)cc1)CC2=O 587465810 GVBLCWJHOBPGLY-QHCPKHFHSA-N 414.429 3.867 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](c1ccc(N3CCCCC3)cc1)(C(O)O)CC2=O 587476011 SIEWFGQOLIPOJU-DEOSSOPVSA-N 411.498 3.506 0 1 HHAF COC(=O)COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597615 VAPKSERBECIFEJ-XUZZJYLKSA-N 420.417 3.821 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 587598070 WBPWBEOXIVGAAF-UWAQFEQLSA-N 423.465 3.979 0 1 HHAF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623458 HUQGVUNMMIENSN-UHFFFAOYSA-N 413.231 3.615 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)cnn2C)N1 587680772 QIPZXOXAMVMKNT-VXJOIVPMSA-N 417.120 3.882 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799961 VJXIQPCHHLLKOC-GEDNVKPRSA-N 414.315 3.886 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587830976 GPJKQJSKYPCOIE-RVSFGVKLSA-N 408.267 3.504 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587834320 RLVPUYGHIWEJHM-NFSSXHDISA-N 408.267 3.504 0 1 HHAF CC(=O)c1ccc2c(c1)[C@]1(CCC[C@H](C)C1=O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962621254 CGHCKOYVFSETMQ-LBDOCTSOSA-N 415.486 3.720 0 1 HHAF O=C(O)c1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)ccc1O 962638100 KIOSTTVPAPXJIB-YKSBVNFPSA-N 400.478 3.927 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@](c2cc(F)cc(F)c2)(c2ncco2)N1)C(F)(F)F 962709936 KOEVYEPLKDKQHX-QFBILLFUSA-N 408.326 3.890 0 1 HHAF COc1cccc2c1[C@@]1(C[C@H]2NC(=O)C(F)(F)F)NCCc2cc(Cl)ccc21 963379467 IKUYZEOBUZVEJE-BEFAXECRSA-N 410.823 3.861 0 1 HHAF O=C(O)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772635355 JYWDUTSTKTWVBO-PKNBQFBNSA-N 413.437 3.686 0 1 HHAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@H](COc1ccc3c(c1)OC(=O)CC3)[C@@]2(C)O 2356684083 LMBYKBUOKRNKSI-IBARJANVSA-N 402.531 3.881 0 1 HHAF O=C(c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)C2)N1CCCCC1 205233016 HZUMWEXAXTWMBG-UHFFFAOYSA-N 401.514 3.587 0 3 HHAF O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 768302 MLHZVPVJKPZSRZ-TZIWHRDSSA-N 422.456 3.535 0 1 HHAF Cc1c(C(=O)N2CCCCC2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 11996358 ZXRPNXHLIMYFCQ-UHFFFAOYSA-N 410.499 3.967 0 1 HHAF CN(C)C[C@H](O)COc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1 13538001 GVPZOBTYTLRDGR-SFHVURJKSA-N 413.909 3.919 0 1 HHAF CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C(C)C)CC(=O)N21 15954990 XVHDBELEXDOSCA-HYBUGGRVSA-N 417.509 3.660 0 1 HHAF biogenic Cc1ccccc1O[C@H](c1cccc(I)c1)[C@H]1CNCCO1 28881134 GUJGIDDFMFZKIV-QZTJIDSGSA-N 409.267 3.708 0 1 HHAF in-vivo CCCC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 36089418 NHLNXRIZUSPOSP-UHFFFAOYSA-N 411.937 3.949 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNCCCCn1ccc(=O)c(O)c1C)O2 49871965 UFIRCRWYOQSNAY-DEOSSOPVSA-N 414.546 3.647 0 1 HHAF O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1ccn(Cc3ccccc3)c1-2 53314166 FABAWROOYZBNPQ-UHFFFAOYSA-N 416.502 3.823 0 1 HHAF COc1cc(CNc2cc(-c3ccc(OC)c(OC)c3OC)ncn2)cc(OC)c1 82167506 AJOWSQGOTYYHKN-UHFFFAOYSA-N 411.458 3.799 0 1 HHAF COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NC3CCCCCC3)ncnc21 82187464 COXLKZOAGIMAKQ-UHFFFAOYSA-N 411.506 3.989 0 1 HHAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 82196623 FWQGDYVCKLORLK-CUAYPQLESA-N 424.516 3.637 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OC/C=C\I)[C@H](c1ccccc1)C2 100864142 PTARSFHGDDMYOJ-QFAHNALLSA-N 411.283 3.745 0 1 HHAF O[C@@](Cn1ccnc1)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 103173042 BVADCBSYAQDXHQ-FQEVSTJZSA-N 413.840 3.647 0 1 HHAF COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341 103297957 VPMRSLWWUXNYRY-NDOYXKHWSA-N 403.478 3.715 0 1 HHAF in-man O=C(Cn1ncc2c3ccccc3nc-2c1O)Nc1cc(-c2cccc(F)c2)no1 103536285 GJNSQOMIFHKTSD-UHFFFAOYSA-N 403.373 3.675 0 1 HHAF O=C(c1ccccc1Br)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116825021 GZIRHUBRAHLBCA-AUUYWEPGSA-N 423.314 3.743 0 1 HHAF COc1cccc(-n2cc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)c1 142059151 PQMAWDDODIHUII-DNVCBOLYSA-N 422.489 3.825 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cnnc3ccccc23)n1 143924268 HAXWHCQECJELIW-HXUWFJFHSA-N 415.453 3.812 0 1 HHAF CCCN(CC1CC1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)c(C(F)(F)F)c1 146205666 IWSRAXRHKDCARK-MRXNPFEDSA-N 420.497 3.789 0 1 HHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)C[C@@H](O)[C@@H]32)C1 153196608 TVQRVUWWMQFWHA-ZNWGHSIDSA-N 402.623 3.991 0 1 HHAF O=C(COc1ccccc1C1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1 218908953 QLWOOPGULQKKFQ-QHCPKHFHSA-N 422.569 3.649 0 1 HHAF Cc1ccccc1CC1(O)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1 220150733 XCQZFTGUWLMEEK-UHFFFAOYSA-N 424.570 3.796 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)SCC(=O)O)nc2c1 586959121 LKUIGGWMUURNKK-UHFFFAOYSA-N 401.282 3.555 0 1 HHAF Cc1cc(Br)ccc1OCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586981966 XOZKPXJIRMVLPB-UHFFFAOYSA-N 415.335 3.965 0 1 HHAF O=C(O)c1cc2c(nc1O)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987786 GFWSUKCPWSLDOX-UHFFFAOYSA-N 410.385 3.716 0 1 HHAF FC1(F)Oc2cc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3cc2O1 587111258 DBZUYHDSTFVGMP-UHFFFAOYSA-N 424.289 3.605 0 1 HHAF CCOC(=O)CSC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369161 DCVNJOPCIWWLPO-PZJWPPBQSA-N 404.459 3.945 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)ccnc1Cl)O2 587386711 LOYTXYHTOJLWIH-GFCCVEGCSA-N 414.630 3.937 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 587388248 ZBQLHSDBXQXHCC-UZLBHIALSA-N 411.502 3.690 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)O2 587388725 GHEJFULLMQSYMP-FPTDNZKUSA-N 404.507 3.621 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3cc(C(=O)O)no3)c1)O2 587394552 HGOHGDCBAVNRHN-QFIPXVFZSA-N 408.410 3.723 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccco1)CC2 587582917 PEZLHYMKNISQRJ-LJQANCHMSA-N 405.406 3.622 0 1 HHAF COc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595402 NKIQRCJWQUJRIA-REWPJTCUSA-N 422.389 3.567 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(C(F)(F)F)ccc1=O 587871328 SZGQFJMSEPLDQE-UHFFFAOYSA-N 409.339 3.609 0 1 HHAF CC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962637257 RBGRUTFDTFFBSZ-FOPRYUNUSA-N 407.388 3.653 0 1 HHAF CCc1cc(C)cnc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963131700 AXIZJLQYZWTSIA-HOCLYGCPSA-N 403.504 3.745 0 1 HHAF Nc1ncc(-c2cnoc2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1 1772622800 YFOQUTWPDRNQEY-OAQYLSRUSA-N 418.428 3.588 0 1 HHAF COc1cc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2C(C)=O)cc(OC)c1OC 1857578060 HUUAUHIARRYJMD-SFHVURJKSA-N 422.437 3.516 0 1 HHAF CCc1nn(C)c2c1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857751425 DJONXXKIQRNZNP-MRXNPFEDSA-N 404.493 3.531 0 1 HHAF CC(C)=C[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4[C@@H]5C(=CC[C@H]23)C(=O)O[C@@]5(O)C[C@]4(C)O)O1 2356714891 ABMVTHXMVSOQJZ-KBURPXFASA-N 416.558 3.885 0 1 HHAF O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCC(N2CCCC2)CC1 12579443 VDBPDNPJYAIZBO-UHFFFAOYSA-N 410.562 3.654 0 3 HHAF Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3C)cc2c1 13570924 ATRPJFMVRDRSER-HXUWFJFHSA-N 421.497 3.594 0 3 HHAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4207972 UELRQBVNZQLPNE-FWQLUELVSA-N 400.906 3.955 0 1 HHAF C[C@H]1CCCN(C(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)ccc2Cl)C1 4660005 WUJXSZZAPFRHRY-ZXGKTVMQSA-N 400.906 3.748 0 1 HHAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1C 6805560 KVIDFOWDVXBARL-LJQANCHMSA-N 409.511 3.643 0 1 HHAF CN(CCCC(=O)NCC1=CCc2ccccc2[C@H](CC(=O)O)C1)c1ccccn1 13819507 HUIWUMINMQIJSX-FQEVSTJZSA-N 407.514 3.545 0 1 HHAF O=P(O)(O)C(F)(F)c1ccc(CNCc2ccc(-c3csnn3)cc2)cc1 28528963 XCJFBPOFXWOKJD-UHFFFAOYSA-N 411.370 3.722 0 1 HHAF CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Cl)c(C)c1 103623343 HPGIUFQHHAVDJF-UHFFFAOYSA-N 418.954 3.580 0 1 HHAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 103887817 OMEBNBHRZZFTLC-IBGZPJMESA-N 421.456 3.786 0 1 HHAF CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)cc4)C3=C2)cn1 149141421 FGROCZOSPDQYJD-UHFFFAOYSA-N 400.457 3.938 0 1 HHAF COc1ccc(-c2nc(C(=O)N[C@@H](CC(=O)O)c3ccccc3F)ccc2OC)cc1 261077814 BESRANNAPVIAGF-IBGZPJMESA-N 424.428 3.851 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc12 587232369 RRISNOHRQABATI-UHFFFAOYSA-N 423.473 3.709 0 1 HHAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc21 587333748 LGSAZCPBDTYFBO-REWPJTCUSA-N 407.372 3.901 0 1 HHAF CCOC(=O)C[C@@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346213 IAFMEAYQYIMBLI-IFMALSPDSA-N 402.418 3.619 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cnc3ccccc3c2=O)N1 587775142 QXUUZWGJHRAACY-ODXCJYRJSA-N 416.294 3.748 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCC(=O)O)N1 587789785 CSNDFACNFMJJGJ-NSPYISDASA-N 408.267 3.849 0 1 HHAF C[C@@]1(c2ccc(Br)cc2N)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962714071 QDAHWTYSRPJGCE-DOTOQJQBSA-N 413.237 3.941 0 1 HHAF Cn1nc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1-c1cccs1 962995562 OMQIFUGFVNOTOC-PXAZEXFGSA-N 409.845 3.769 0 1 HHAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963106154 JTLWHHOKSLZJQE-UMXIMWEHSA-N 408.517 3.737 0 1 HHAF C[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)nc4)ccc3n2)CCN1 1772578685 FKRJOLGOCURNRA-ZDUSSCGKSA-N 416.403 3.875 0 1 HHAF COc1cnc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)cc2)nc1 1772593971 YAWXGMFJFPFWKF-UHFFFAOYSA-N 421.888 3.707 0 1 HHAF NCc1cc(OCC2CCN(C(=O)Nc3ccccc3)CC2)nc(C(F)(F)F)c1 1857595868 HOWFLZVASJDZRZ-UHFFFAOYSA-N 408.424 3.882 0 1 HHAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c3c(oc12)[C@@H](O)[C@@H](O)CC3 2356773917 MICREMKKPHNKKJ-RBPZVGGXSA-N 411.498 3.931 0 1 HHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@H](C(C)C)C[C@@H]1Cc1nnc(-c2cncn2C)o1 2356835741 PVOQSJZKMPTAJW-QRVBRYPASA-N 407.542 3.619 0 1 HHAF O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@H]3[C@@H](C(F)(F)F)N2N1 135675570 IQDPLDKEGCGPJG-SIVJFFJCSA-N 400.351 3.509 0 3 HHAF CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206504 MNTPHJWHNWYWKX-HKUYNNGSSA-N 405.951 3.951 0 1 HHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCSCC1)C2 4222638 VCLHTUNFLPHNJY-PKOBYXMFSA-N 404.620 3.560 0 1 HHAF biogenic Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CC[C@H](O)C4)cc3)ncc12 13641521 FSADLTOIDQVCAJ-IBGZPJMESA-N 405.502 3.530 0 1 HHAF CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 13733370 UZVACIIIMHBSTR-QHCPKHFHSA-N 413.445 3.681 0 1 HHAF Cc1cc(O)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)c1 14618447 GBMJJENEFQSLIO-UHFFFAOYSA-N 424.405 3.873 0 1 HHAF biogenic NC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1 14944989 PSGYMDDKHDKWRJ-UHFFFAOYSA-N 411.509 3.865 0 1 HHAF COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 72136322 AFXKNDHWOJNFSQ-BHDDXSALSA-N 410.543 3.775 0 1 HHAF O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 73240326 KZWACXAMTSGJSU-FYSMJZIKSA-N 420.944 3.787 0 1 HHAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCCC(C)(C)C)c2cc1OC 82129074 PSAACCHRNWGXOQ-OAHLLOKOSA-N 402.539 3.704 0 1 HHAF O=C1CCCN1CCCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181035 RCHPGQTXBGEZOR-UHFFFAOYSA-N 422.508 3.510 0 1 HHAF CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@](N)(CCCO)C2 85543264 STTSAMAMJQQJKW-XMPUZHHRSA-N 401.595 3.830 0 1 HHAF biogenic,in-vitro Nc1ccc2c(c1)[C@H](O)[C@@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 103232433 VOVXPCSLEFSNJQ-VOIUYBSRSA-N 412.505 3.694 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)Nc2ccc(F)cn2)n2c1COCC2)c1ccccc1 146142105 CPHVCLSEBOZELB-GOSISDBHSA-N 422.460 3.686 0 1 HHAF O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)C3=CN1Cc1ccc(O)cc1 150070886 IGZBIWQCMVZOKV-AOYPEHQESA-N 416.521 3.692 0 1 HHAF C1=NCCNCCN=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2 254143479 IOMPXSOWTIMPGG-UHFFFAOYSA-N 414.509 3.681 0 1 HHAF CC1=C(c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3c2)NNC(=O)C1 587108949 JRVXLCKTQNPUHM-UHFFFAOYSA-N 416.359 3.702 0 1 HHAF O=C(O)CCN(CCc1nc2cc(F)cc(Br)c2[nH]1)Cc1ccccc1 587193827 SJEXQLMEOQNTII-UHFFFAOYSA-N 420.282 3.984 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(F)c2[nH]1 587194892 ZFUKXDGILXZASL-LBPRGKRZSA-N 415.307 3.982 0 1 HHAF CN(C)/C=C\[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343820 VMJWNIKXSQAFCA-ZLVHQKRJSA-N 407.445 3.595 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cccc(N4C(=O)c5ccccc5C4=O)c1)[C@@H](C2)C3=O 587434985 CSDXDJWPKYGOSV-WMZHIEFXSA-N 411.413 3.985 0 1 HHAF COc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441243 FVYJPZNQXUEPOD-DVECYGJZSA-N 424.449 3.561 0 1 HHAF C[C@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596119 QWMMJDCOMINKIP-HYBUGGRVSA-N 416.433 3.799 0 1 HHAF CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598522 BKDRVKYUSSJCSE-HYBUGGRVSA-N 420.417 3.821 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3Cc4ccccc4N[C@@H]32)N1 587793020 PZYRDZWPXIHQST-OITMNORJSA-N 402.311 3.975 0 1 HHAF COc1cccc(C(=O)c2ccc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2)c1 587929661 CMUHPHLNCNAJMS-UHFFFAOYSA-N 406.463 3.873 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 653793860 HAOGGTWLSZGSCY-MDNUFGMLSA-N 401.466 3.918 0 1 HHAF Cc1c(F)ccc2c1[C@](CC(=O)c1ccc(Cl)cc1)(C(=O)NC1CC1)NCC2 962378759 UMUUYWJCTLXZPI-JOCHJYFZSA-N 400.881 3.680 0 1 HHAF CCOC(=O)c1nocc1[C@]1(c2ccccn2)c2c(F)cccc2C[C@@H]2CCCN21 963098007 OXUPIFKVQNEKPL-HJPURHCSSA-N 407.445 3.698 0 1 HHAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(F)cc1 1772598119 XECUJMAUWGIGPW-VQTJNVASSA-N 404.432 3.757 0 1 HHAF CCOc1nc(N2CC(n3c(O)nc4cc(C(F)(F)F)ccc43)C2)ncc1Cl 1857573164 YYHCFCVXXQWACH-UHFFFAOYSA-N 413.787 3.664 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)c2cccc(F)c2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305958 VQXMYGMNUDPWKI-UKRRQHHQSA-N 413.424 3.637 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2OC[C@]3(C)CCC[C@]1(C)[C@H]23 2356631542 GAOMOYCMAISIED-GRMWVWQJSA-N 418.574 3.928 0 1 HHAF Cc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3 1372266 YJKJJNYITUWYHD-UHFFFAOYSA-N 413.528 3.528 0 3 HHAF COc1ccc([C@@H](CC(=O)Nc2ccccn2)N2Cc3ccccc3C2=O)cc1OC 8592287 APRATTNDLORJFG-LJQANCHMSA-N 417.465 3.825 0 3 HHAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)c1 4049246 RRKXDUODJQLERK-ISKFKSNPSA-N 421.541 3.779 0 1 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 4075598 SYWZTUBLCPQTJW-VWNXMTODSA-N 414.509 3.743 0 1 HHAF Nc1ccc(Cl)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 13799548 JUIOEFBPMVZHEA-UHFFFAOYSA-N 410.861 3.996 0 1 HHAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)[C@](O)(c1ccccc1)C1CCC1 19360968 SETLTJOYRUAMSH-DEOSSOPVSA-N 412.961 3.715 0 1 HHAF COC(=O)[C@@H]1Cc2ccc(OCCc3nc(-c4ccc(C)cc4)oc3C)cc2OC1=O 40846863 ZFDZIRUIUDMWMJ-IBGZPJMESA-N 421.449 3.831 0 1 HHAF COC(=O)/C=C/c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Br)c2)cc1 45201366 QQCCCVUOYPSEDK-GYIJXDSHSA-N 418.331 3.890 0 1 HHAF O[C@H](CNCCN1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72141257 OTEOUYBEGDLNHY-OAHLLOKOSA-N 421.385 3.991 0 1 HHAF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82150520 FMHZEPGYUINMPY-IYBDPMFKSA-N 400.498 3.531 0 1 HHAF CCCCCNc1ncnc2c1nc(-c1ccc(O)c(OC)c1)n2C[C@@H]1CCCO1 82186188 KMMLMBLYUPPLBI-INIZCTEOSA-N 411.506 3.989 0 1 HHAF COc1cccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)c1 82193318 WTTRAFVMTFWGGA-IRXDYDNUSA-N 421.588 3.648 0 1 HHAF COc1cccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)c1 82193320 WTTRAFVMTFWGGA-SJORKVTESA-N 421.588 3.648 0 1 HHAF CC(C)[C@H](NC(=O)c1cc(-c2ccc(OCc3ccc(F)cc3)cc2)no1)C(=O)O 84706736 SQSPFGBDCQFVEV-FQEVSTJZSA-N 412.417 3.899 0 1 HHAF FC1(F)C[C@H]1Cn1cnc2ccc(C3=NCc4ccnc(OC5CCOCC5)c43)cc21 96176018 HGRPWECYEJHHHQ-INIZCTEOSA-N 424.451 3.995 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](COc3ccc(F)cn3)CCC[C@@H]2C)c1 118685497 XFVPZBSOZQCWGS-ROUUACIJSA-N 423.492 3.820 0 1 HHAF CC1=C(C(=O)OC(C)C)[C@H](c2cncnc2)c2c(nc3c(c2N)CC(C)(C)CC3)N1 206143272 LMRUKUXUSXXRLD-SFHVURJKSA-N 407.518 3.752 0 1 HHAF COc1cc(OC)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 587020142 YKJMXBLHXTWCHQ-UHFFFAOYSA-N 410.455 3.585 0 1 HHAF Oc1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12 587087013 AKKVEWGYAOFJQZ-UHFFFAOYSA-N 402.843 3.901 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 587125461 FRAHACZKSSOEFS-WKEGUHRASA-N 401.190 3.891 0 1 HHAF Oc1ncnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 587165603 FUJMRCSPDBFWQY-UHFFFAOYSA-N 401.405 3.535 0 1 HHAF Nc1ncccc1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 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COC(=O)N[C@H](C=Cc1ccccc1)[C@]1(C)C(=O)O[C@@H](CCc2ccccc2)C[C@@H]1O 2356696834 VJDFRABJMBBXJW-MTQWNXOMSA-N 423.509 3.740 0 1 HHAF COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCc1ccccc1)C2 6902127 VBYKYCVCCQYOBL-UHFFFAOYSA-N 417.465 3.826 0 3 HHAF COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 767494 HLMFGNQDKQSLSF-FYYLOGMGSA-N 420.465 3.748 0 1 HHAF O=C1c2ccccc2N(Cc2ccccc2)S(=O)(=O)N1COCc1ccccc1 1490019 CTECFJDMEOWFOO-UHFFFAOYSA-N 408.479 3.568 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)c1 4049249 RRKXDUODJQLERK-UPVQGACJSA-N 421.541 3.779 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c1 4077522 MTHVMGUDERWAMQ-CTNGQTDRSA-N 414.889 3.689 0 1 HHAF Cn1cc(C2=C(c3c[nH]c4cc(Br)ccc34)C(=O)NC2=O)c2ccccc21 13554113 CNHCVDUMPFZTRK-UHFFFAOYSA-N 420.266 3.989 0 1 HHAF Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCNCC4)cc3)ncc12 14945420 VZYHIKNKRDXRLP-UHFFFAOYSA-N 418.545 3.758 0 1 HHAF O=C(Nc1ccccc1C(=O)O)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 31894848 CMLYJMIMIITALH-XMHGGMMESA-N 402.406 3.500 0 1 HHAF CCCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 38512944 PHPSNQYNGUADLO-ILXKITPQSA-N 421.559 3.518 0 1 HHAF CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(c3ccnc4cc(Cl)ccc34)C2)cc1 45211087 KTQQVUOVHIHNHJ-SFHVURJKSA-N 408.889 3.855 0 1 HHAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@@H]1c1ccc(Cl)cc1 49047817 XBFAFSAUQFDEOK-CVEARBPZSA-N 402.281 3.777 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 58563028 BRKOVFUTTJGJEO-JCYRPKCISA-N 422.544 3.952 0 1 HHAF COc1cccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3[nH]ncc23)c1 96928810 IXGSJWCUFRFSHO-UHFFFAOYSA-N 419.464 3.571 0 1 HHAF CCNC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103202036 BMXYLIMKTASGAA-IBGZPJMESA-N 407.301 3.875 0 1 HHAF CNCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1 204159876 OJURKTZIXKTKOA-UHFFFAOYSA-N 406.465 3.536 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCCC(F)(F)C2)cc1F 261180480 VYQJAWHQBOKZCO-NSHDSACASA-N 405.438 3.597 0 1 HHAF N[C@H](N=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000086 FMJSUULWAZGMEZ-HVTRQVLWSA-N 415.247 3.991 0 1 HHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccnc(Br)c3[nH]2)cs1 587013889 CSLUXSRRHZNHSM-UHFFFAOYSA-N 410.297 3.869 0 1 HHAF COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587024952 CYOBOGJEQJLUBF-JLSDUUJJSA-N 424.526 3.881 0 1 HHAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587066820 RZYRDRFPRUCHEW-UHFFFAOYSA-N 407.923 3.787 0 1 HHAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccc(F)cc1 587170935 VETJYERDBVVQOK-KRWDZBQOSA-N 416.865 3.818 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587204253 WWUPHNWXIGYQDD-LBPRGKRZSA-N 409.776 3.937 0 1 HHAF CNC(=O)[C@H]1C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587236341 UZZMLSTYXTYNTO-KBPBESRZSA-N 402.376 3.684 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587258925 BBWWENFIAAVGEL-AWEZNQCLSA-N 407.396 3.683 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)s1 587608920 ALEKZYVWNPZYQW-DENIHFKCSA-N 409.463 3.993 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2N)N1 587679443 FIBAYKGEHDFCGQ-JKYUHCHBSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)n2C)N1 587684425 QQWAMEHRNYXYQA-UHLUBPPHSA-N 403.093 3.708 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(OC)c(OC)c(OC)c1 587870952 WDCCYNQJRTWJKZ-UHFFFAOYSA-N 414.433 3.997 0 1 HHAF NC(=S)c1cc(-c2cn(CCC(F)F)c3cc(CO)ccc23)c2[nH]cnc2c1 1857575793 MRZKIIFVEDCKBN-UHFFFAOYSA-N 400.454 3.966 0 1 HHAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cn1 2356302364 SWPJAHGBDWJTPK-RHSMWYFYSA-N 424.398 3.724 0 1 HHAF COc1cc(OC)c2c(c1)=C[C@H](C)N(c1ccc(OC)c3c(OC)cc(C)cc13)C=2C 2356871164 XXZXJPIJNJDWHT-INIZCTEOSA-N 419.521 4.000 0 1 HHAF COC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 12726231 UMGXUTJVVGTKQD-QGZVFWFLSA-N 402.491 3.760 0 3 HHAF COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCc2cccc(C)c2)sc1=O 61902209 CTEFDHXQXRAIFH-UHFFFAOYSA-N 424.522 3.716 0 3 HHAF CN(C)C[C@H](O)COc1ccc(Nc2cc(Nc3ccccc3Cl)ncn2)cc1 13537876 YXVXFUBOIUONRY-INIZCTEOSA-N 413.909 3.919 0 1 HHAF COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 13764478 UFUNEVAWLBZGJJ-UHFFFAOYSA-N 410.562 3.943 0 1 HHAF CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(Cl)cc(Cl)c1)c1ccccc1 27639171 AHNDXCBZSBFXRZ-QGZVFWFLSA-N 407.301 3.795 0 1 HHAF O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C[C@@H]2COc3ccc(F)cc3O2)CC1 27885425 DDLQBEASWPPPGP-MRXNPFEDSA-N 417.868 3.599 0 1 HHAF C[C@@H](O)[C@@H](CO)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528313 LORFCRZQKHJHLR-WAIKUNEKSA-N 409.505 3.804 0 1 HHAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCSCC3)c(F)cc2c1=O 29338465 PVEJGMQLRSFBKT-UHFFFAOYSA-N 402.422 3.520 0 1 HHAF Clc1ccccc1CN1CCN(Cc2ccccc2Cl)[C@@H](C2=NCCN2)C1 58501969 ZZIFVWVNEWUGHK-HXUWFJFHSA-N 403.357 3.682 0 1 HHAF COC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@H]1C(OC)OC 95556644 SHPVAGYZHMXTLR-KRWDZBQOSA-N 404.463 3.709 0 1 HHAF CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 95562619 WHGXIKNUIYLRES-ROUUACIJSA-N 420.550 3.605 0 1 HHAF CCOCCN(C(=O)Nc1nccs1)c1ccc(OC(C)(C)C(=O)OCC)cc1 103243969 ASXWHIYJDTUQKQ-UHFFFAOYSA-N 421.519 3.939 0 1 HHAF NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Nc4ccccc4)cc23)c1 166265923 UGCZNDYBDIDDPO-UHFFFAOYSA-N 407.455 3.521 0 1 HHAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2cccc(C)c2)CC3)n1 169702342 RCWOLBJQWRLALO-UHFFFAOYSA-N 415.501 3.538 0 1 HHAF Clc1cnc(N[C@@H]2CCCNC2)cc1-c1cccc(NCC2CCOCC2)n1 169703688 WHTSKQHRSNNTPF-MRXNPFEDSA-N 401.942 3.799 0 1 HHAF CC1(C)[C@@H]2CC[C@H](Cn3c(=O)cc(O)n(CCc4ccc(Cl)cc4)c3=O)[C@H]1C2 169729810 CVOLQGQWSZAROK-JFIYKMOQSA-N 402.922 3.684 0 1 HHAF CCN1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 219007991 ZQPHAGPZGLPAFN-UHFFFAOYSA-N 412.541 3.869 0 1 HHAF CC1=CS[C@](OCC(F)(F)F)(c2ccc(Br)cc2)c2noc(=O)n21 299861237 HXZWMRQMVOIXHQ-CQSZACIVSA-N 423.210 3.944 0 1 HHAF CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)OCC(=O)N5)ccc12 586918536 NVPRELUAHLHCMP-UHFFFAOYSA-N 419.437 3.922 0 1 HHAF Cc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cc1Cl 586945311 GAZVPWQRAGXCJO-AWEZNQCLSA-N 419.934 3.957 0 1 HHAF CCn1cc(Br)c(Cc2nc3c(Cl)c(Br)cnc3[nH]2)n1 587002321 YWWPZHVCLWJEHA-UHFFFAOYSA-N 419.508 3.944 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cnc(Cl)[nH]c-3n2)c1 587050193 VYYLOZZPISJWTD-UHFFFAOYSA-N 421.288 3.921 0 1 HHAF COc1ccc([C@]2(CCC(=O)CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402526 FAAUDTBZOFGZIU-QHCPKHFHSA-N 411.454 3.661 0 1 HHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600016 KASLNCHGZPAEKQ-URXFXBBRSA-N 420.417 3.821 0 1 HHAF O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587623057 XWRQPRRPNINZGS-UHFFFAOYSA-N 404.195 3.946 0 1 HHAF COc1ccc([C@@]2(COC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807685 LJOHFSQECWHRJD-MPBGBICISA-N 422.294 3.938 0 1 HHAF Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3 653729289 AJBWZNMIEOMJCC-OYUWMTPXSA-N 412.533 3.749 0 1 HHAF COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c[nH]1 963130623 LMJBFCJTCZEIDY-QHCPKHFHSA-N 424.884 3.785 0 1 HHAF COc1ccc(C[C@@H]2c3c(c(Br)c4c(c3OC)OCO4)CCN2C)cc1 1857758594 PXTUDSQYWYXOEK-OAHLLOKOSA-N 420.303 3.967 0 1 HHAF CC1(C)CC(=O)N(CCCCN2CCN(c3cccc4sccc34)CC2)C(=O)C1 1857770461 JCZNKERBZDGLBM-UHFFFAOYSA-N 413.587 3.979 0 1 HHAF Cc1ccc([S@@](=O)(=NC(N)=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 1911573782 AVOYRABFZKZGNN-GDLZYMKVSA-N 412.515 3.615 0 1 HHAF COc1ccc(C[C@H](O)[C@@H]2CO[C@@H](Cc3ccc(OC)c(OC)c3)[C@H]2C)cc1OC 2356572942 SWGSNNIJAYRWAL-AKYGZRSFSA-N 416.514 3.518 0 1 HHAF COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1OC1CCN(C(C)=O)CC1 12596698 IJBCDXPPECJPGX-QFIPXVFZSA-N 422.525 3.892 0 3 HHAF COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 61923778 AFXKNDHWOJNFSQ-YPAWHYETSA-N 410.543 3.775 0 3 HHAF CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 96901167 JLFORSRSVLFNNO-BULFRSBZSA-N 416.550 3.985 0 3 HHAF CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 2487713 PRPWXCKFVBUPJT-QUCCMNQESA-N 402.535 3.846 0 1 HHAF CCN1c2ncc(CCOc3ccc(C(=O)O)cc3)cc2C(=O)N(C)c2cccnc21 12354065 KZFWFFCAGSLUEX-UHFFFAOYSA-N 418.453 3.544 0 1 HHAF CCN1CCN(c2c(C(=O)c3ccccc3)cnc3cc(OC)c(OC)cc23)CC1 21522514 AQPNTDLFSJHABR-UHFFFAOYSA-N 405.498 3.625 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 34035649 WYTMQOGADPADEK-UHFFFAOYSA-N 400.438 3.733 0 1 HHAF O=C1O[C@](CO)(COC(=O)c2ccccc2)C/C1=C/c1ccc(C(F)(F)F)cc1 40891702 XGVYMJWZCHHEQD-IKXXZMEWSA-N 406.356 3.624 0 1 HHAF CONC(=N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 40894950 OEJJBIPXZLQWGE-UHFFFAOYSA-N 423.860 3.716 0 1 HHAF COc1ccc([C@H]2N(c3cc(OC)c(OC)c(OC)c3)C(=O)C2(C)C)cc1OC 66259198 QFUHLOFDEQYRLU-HXUWFJFHSA-N 401.459 3.844 0 1 HHAF O=C(NC(=S)Nc1cccc(F)c1)c1ccccc1C(=O)OCC(F)(F)F 68576349 YCENTLVAQZAOFX-UHFFFAOYSA-N 400.353 3.672 0 1 HHAF biogenic C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)CC(F)(F)F)c1 114347008 GWQXSFUEKBLIOK-NSHDSACASA-N 417.391 3.793 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(Br)c(Br)c2)C[C@@H]2CC[C@@H]1N2C 169359477 UWYWQPVLTBLACL-IDTSFGKNSA-N 417.141 3.951 0 1 HHAF COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@@H]32)c1 169689080 VQGLTDOEKNJEPX-DHIUTWEWSA-N 419.481 3.919 0 1 HHAF CC(C)(C)c1[nH]nc2c1[C@@H](c1cccc[n+]1[O-])N(c1ccc(-c3ccon3)cc1)C2=O 200070282 IHUVVDYSRIKCEA-HXUWFJFHSA-N 415.453 3.745 0 1 HHAF C[C@H]1COc2c(CN(C)c3ccc(F)cc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473244494 MQPANDXFHYWGMR-NSHDSACASA-N 400.381 3.568 0 1 HHAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586925084 FRHJJYGZOIISCH-UHFFFAOYSA-N 414.380 3.940 0 1 HHAF COC(=O)c1ccnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 586959188 JHYFYXAEYSGONI-LJAQVGFWSA-N 405.479 3.783 0 1 HHAF N[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586983759 IOIYESRIYGCDPK-MRVPVSSYSA-N 420.620 3.982 0 1 HHAF N=c1[nH]c2nc(COc3ccc4ccccc4c3Br)nc-2c(Cl)[nH]1 587002574 XCCRSAQGYMXFLX-UHFFFAOYSA-N 404.655 3.865 0 1 HHAF O=C(CCc1nc2cc(Cl)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023514 FFXGUHSODCZIQO-UHFFFAOYSA-N 402.842 3.840 0 1 HHAF N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1F 587142699 LJZWRNJRMNDQBC-JTQLQIEISA-N 414.076 3.865 0 1 HHAF O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587378460 VHAOXNSUTQBUSA-FYYLOGMGSA-N 424.449 3.963 0 1 HHAF CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCOCC1 587400038 NYJFABDTIWQWKB-XMMPIXPASA-N 410.514 3.689 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCC3OCCO3)cc1)(C1CCC1)O2 587412184 MIQBLGZLXCCEFK-DEOSSOPVSA-N 409.482 3.990 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1OCCO2 587607510 HKSPZLBYYNVIET-UGKGYDQZSA-N 406.390 3.875 0 1 HHAF CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703924 HNTAOUFYNXMDEP-UEXBWHTRSA-N 416.184 3.781 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 587759810 VSBQKTLOARBPEA-BIBXISHDSA-N 416.294 3.652 0 1 HHAF COc1cc(C(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805345 GALNEEOZUNNKFC-DYBLOJMWSA-N 424.266 3.927 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587833904 IIQHAMJAKPYEJN-VVVCHXIZSA-N 422.250 3.777 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2ccc(Cl)cc2)cc1 653780548 ZYTBAYUXHYASOF-SFHVURJKSA-N 401.875 3.936 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(Cc1ccc(C(F)(F)F)cc1)C(=O)O 963602671 ANXOLMMBYJDDLI-MPBGBICISA-N 409.404 3.779 0 1 HHAF COc1ccc(C(=O)C[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772640740 WIHBIYFTCKOHEL-OAQYLSRUSA-N 405.516 3.727 0 1 HHAF c1ccc2c(c1)CN[C@@H](CN(CC[C@@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 1857635363 YPLCBNLGVGQEFT-AMDXRBSFSA-N 404.602 3.865 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43CCN)OCCO5)[C@H]1CCC21OCCO1 2356388499 HWXXPLRSBHPGSF-LILSUDLASA-N 403.563 3.764 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](O)[C@H]1[C@]2(C)CCC[C@@]1(C)COC(C)=O 2356413232 SPCSGPZOUMTYFD-VWVXBLKWSA-N 408.535 3.554 0 1 HHAF CC=C1C([C@]2(C)CCCC(C)(C)C2)=C[C@H](O)[C@@H]2[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]12 2356480008 MHDUGZBUXWJHKW-OLCADEQVSA-N 406.519 3.881 0 1 HHAF CC(=O)O[C@H]1Cc2c(cc3occc3c2C)[C@@]2(C)[C@H](OC(C)=O)CCC(C)(C)[C@]12O 2356635945 PNIWOPXSKRPGQY-AWAHEQQVSA-N 414.498 3.970 0 1 HHAF Cc1nc(-c2ccccc2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccc(CO)o2)n1 2356818947 DXSLIRZXXRNJST-SXWKCWPCSA-N 418.541 3.505 0 1 HHAF Cc1nonc1[C@@H]1CCCN1C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 12203854 LHFOOZNQTXOQJC-INIZCTEOSA-N 422.363 3.941 0 3 HHAF O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1 58133901 VSKVKDOTEICFRN-HSZRJFAPSA-N 402.498 3.734 0 3 HHAF COc1cccc2c1N[C@@]1(c3ccccc3)c3ccccc3-n3nncc3CN1C2=O 206036827 SLTRWUPFHNHYAZ-XMMPIXPASA-N 409.449 3.559 0 3 HHAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 2489295 VJFZQYUUDPEAGF-GHTZIAJQSA-N 417.594 3.519 0 1 HHAF O=C(O)COc1cccc(CCn2nnc(C(c3ccccc3)c3ccccc3)n2)c1 3788373 ZCBLTLSXWCDXBL-UHFFFAOYSA-N 414.465 3.559 0 1 HHAF COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 6010042 MHDJXWPTXRZFFJ-KXCYRINISA-N 407.539 3.719 0 1 HHAF N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc(N)c4)c3O)cc2c1 26377747 ITEIWWXXJGTIIN-UHFFFAOYSA-N 400.438 3.701 0 1 HHAF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccnc3)cc1)CC2 29062747 MDBYETDBYDWXIF-UHFFFAOYSA-N 417.509 3.952 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(CCO)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410536 VOCNVBNHMPOAMF-JBHFQEMRSA-N 418.622 3.697 0 1 HHAF COc1cccc(-n2c(=O)n(Cc3ccccc3Cl)c3cnc(NC4CC4)nc32)c1 40422974 XOAHRUXRHCAEGD-UHFFFAOYSA-N 421.888 3.867 0 1 HHAF COc1ccc2nc(OC)c(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)nc2c1 64448515 FGYGIYPNLQILIZ-UHFFFAOYSA-N 421.501 3.618 0 1 HHAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(/C=C/c2ccccc2)O[C@@H]1c1ccccc1 72113624 IOIJWZFJSPLOBN-AYPROLCYSA-N 403.434 3.652 0 1 HHAF CCCCNc1ncc(C(=O)N[C@@H](C)CC)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144171 CDJQZSWMABTQFR-AWEZNQCLSA-N 416.522 3.910 0 1 HHAF COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCCN2CCCC2=O)cc1 82177801 WPHNLAXIYCSAKC-UHFFFAOYSA-N 422.533 3.582 0 1 HHAF O=C(Cc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 84652544 KHZXHSDJSMNYBO-UHFFFAOYSA-N 400.526 3.628 0 1 HHAF COc1cccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)c1 95590016 UWKWBKBYAWOFSY-UHFFFAOYSA-N 406.467 3.696 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(C)CC1 95795987 GOAAERGMLZQDQW-QFIPXVFZSA-N 405.542 3.689 0 1 HHAF CCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1 103252843 MOVWXDGLBZSEPD-UHFFFAOYSA-N 408.405 3.600 0 1 HHAF Cc1ccccc1-n1c(CN(C)c2ncnc3[nH]cnc23)cc2cccc(C)c2c1=O 114877189 BIMRMHFTBASJJP-UHFFFAOYSA-N 410.481 3.910 0 1 HHAF CC(C)c1cc(Cl)c(I)cc1Oc1cnc(N)nc1N 145804433 NMSUCFQIHHDYRP-UHFFFAOYSA-N 404.639 3.815 0 1 HHAF COc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1 205087623 HSAOXGCKBOMQMX-UHFFFAOYSA-N 421.478 3.628 0 1 HHAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCCc3ccccc3)ccc1-2 209702973 HNKQMNAXSPPXFC-NRFANRHFSA-N 418.493 3.646 0 1 HHAF FC(F)(F)c1nnc(N2CCN(c3ncnc4sc(C5CC5)cc34)CC2)s1 220717742 PUVLVDNCMNYTSB-UHFFFAOYSA-N 412.466 3.766 0 1 HHAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCC5(CCCO5)CC4)ncn3)c2c1 225571442 YJUNXTITQVBNKL-INIZCTEOSA-N 423.517 3.583 0 1 HHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cnc3[nH]2)cs1 587014290 OJFRVTLNFRDBEY-UHFFFAOYSA-N 410.297 3.869 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2c1 587087201 BWKRRFJOFXWHFW-SECBINFHSA-N 400.223 3.862 0 1 HHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2nc(Br)c[nH]c-2n1 587168177 ULRFLEHSMZDUGI-NSHDSACASA-N 405.231 3.575 0 1 HHAF Cc1c(Br)cnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 587193667 OABCJMRWFZASSO-UHFFFAOYSA-N 417.307 3.548 0 1 HHAF Nc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1N 587230301 CZXHTYRQBANDJY-UHFFFAOYSA-N 402.458 3.617 0 1 HHAF O=C(c1cccc(OC(F)(F)C(F)F)c1)n1ncc2ccc(Cl)cc2c1=O 587651706 OCVQSOSAHRNOMH-UHFFFAOYSA-N 400.715 3.975 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N)c(Br)c2)N1 587684241 YWLWGGIMKLPPDN-UOWDBTKRSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2nccn2C)N1 587754221 KTPRPTJJBUAMBA-BLVKFPJESA-N 401.283 3.543 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797036 VFZSOTNOWZEILP-FNFWKMNBSA-N 402.304 3.553 0 1 HHAF O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)no4)n3)cc2)C1 653845137 XFYGBGXQISCNRY-UHFFFAOYSA-N 402.410 3.575 0 1 HHAF CC[C@@]1(c2ccc(F)cn2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963144955 MSRKSTGPXVJUBN-BFUOFWGJSA-N 407.467 3.577 0 1 HHAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cc(C)ccn3)c2)c1 1772631413 WEGXHAHCBAXGSM-UHFFFAOYSA-N 403.442 3.881 0 1 HHAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 1857632281 GXVBWQSVRLVEOE-UHFFFAOYSA-N 412.169 3.900 0 1 HHAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@H](COc1ccc3c(c1)OC(=O)CC3)[C@]2(C)O 2356684088 LMBYKBUOKRNKSI-VMISTRQJSA-N 402.531 3.881 0 1 HHAF COc1ccc2c(c1)[C@H](O)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@@H]1O)CO2 2356702403 BKXFJODAEBHQRW-KZTDQWPFSA-N 412.482 3.801 0 1 HHAF COc1cc2nc(=S)n3[nH]c(CCn4c(C)nc5ccccc54)nc3c2cc1OC 104198036 PIDTWXGEEHWBQB-UHFFFAOYSA-N 420.498 3.858 0 3 HHAF COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCC1)[C@@H](c1cccs1)N(C)C2=O 2459441 OQBGBTXTMKZHRX-VQTJNVASSA-N 414.527 3.688 0 1 HHAF COc1ccccc1-c1cc(N)n(S(=O)(=O)c2cc(Cl)sc2Cl)n1 5034619 UFEIEDHEGRUTFP-UHFFFAOYSA-N 404.300 3.746 0 1 HHAF CN(C)C(=O)CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12079040 IZZBUJICBRKRPX-HNNXBMFYSA-N 420.431 3.661 0 1 HHAF O=C1CN(c2ccc(Cl)c(Cl)c2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 13763630 LGVJLYPIQFOJHK-UHFFFAOYSA-N 419.673 3.804 0 1 HHAF O=C(NC[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1)[C@@H]1CCCO1 14994178 VGPKOPQQPSUYOP-MJGOQNOKSA-N 407.388 3.851 0 1 HHAF O=C(CSc1nc2ccccc2s1)NC[C@@H]1CCCN(Cc2nccs2)C1 28231627 BQQZZRPDNHIKAA-AWEZNQCLSA-N 418.613 3.873 0 1 HHAF COc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)c(OC)n1 28571662 QSZTVRPKJCEKPM-UHFFFAOYSA-N 413.430 3.870 0 1 HHAF C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 28948435 RCWIRHZWEKBMHH-YJYMSZOUSA-N 415.877 3.817 0 1 HHAF Cc1c(C(=O)N(C)C)cccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40394500 FCJJKNXBYYXCKW-KRWDZBQOSA-N 402.878 3.739 0 1 HHAF O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(CCCN3CCCC3)cc(O)c12 73280865 SVRWNQDPXNIXJI-UHFFFAOYSA-N 407.466 3.965 0 1 HHAF CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](NC)CC2 88261108 JKCYUIBVMXBRCG-DHIUTWEWSA-N 400.588 3.719 0 1 HHAF CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)[nH]c4n3)cc2)CC1 95574503 FKSOXOHTTFKOQL-UHFFFAOYSA-N 400.490 3.592 0 1 HHAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(CC2CCCCC2)CC1 95663507 NUSRPSJLLQZCNL-OAQYLSRUSA-N 411.590 3.737 0 1 HHAF CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(cnn2CCO)c1 96283926 YSHQSLYXKDEJNB-LJQANCHMSA-N 421.526 3.677 0 1 HHAF Cc1[nH]ncc1-c1cc2c(s1)C(=O)NC1(CCC(O)(c3ccc(F)cc3)CC1)N2 114217678 NCRZDERILSVITP-UHFFFAOYSA-N 412.490 3.899 0 1 HHAF Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(C)(C)O)c12 118816610 JNSQFHHZMKXIQY-SNVBAGLBSA-N 404.467 3.520 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3nc[nH]c3c2)no1 137255909 DRGDCRIWFXFGPS-LJQANCHMSA-N 403.442 3.746 0 1 HHAF COCCCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 210700748 UXQWEHKDKLVFNE-UHFFFAOYSA-N 422.938 3.539 0 1 HHAF N[C@H](N=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587001907 AJKRZKIPXIQRJQ-MLCYQJTMSA-N 415.247 3.685 0 1 HHAF N=c1[nH]c2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc-2c(Cl)[nH]1 587138430 IIYWSVNDFAHUOY-UHFFFAOYSA-N 401.760 3.681 0 1 HHAF O=C(/C=C/c1nc2cccc(I)c2[nH]1)Nc1ccc(F)cc1 587166203 AEJVWBDQEAIRNM-CMDGGOBGSA-N 407.186 3.959 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)cc(C)c1N)O2 587386885 MHSKAALCSZTTHG-GOSISDBHSA-N 422.266 3.953 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(=O)N4CCCCC4)cc1)[C@@H](C2)C3=O 587444189 NUDYPDTYVYTDGU-NBGIEHNGSA-N 421.493 3.749 0 1 HHAF CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623959 UUPYJPUKFWDPDJ-UHFFFAOYSA-N 413.231 3.615 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 587722252 XPSKXKAUZSHXEL-CQLKUDPESA-N 400.194 3.729 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccccc3c2=O)N1 587746782 NZRCVUWUVMCSRF-XLFHBGCDSA-N 403.251 3.900 0 1 HHAF COC(=O)c1cc(Br)c2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2c1 587785683 FEVMIEHKSBDCCH-UHFFFAOYSA-N 419.231 3.609 0 1 HHAF COc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795150 QTQIXBJJZHDXQB-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc(Br)cn1 587869740 QVGQKBVEJQFBSU-LLVKDONJSA-N 407.243 3.948 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 587930130 HHJHTDYBXJOHJR-HNNXBMFYSA-N 401.532 3.948 0 1 HHAF Oc1ncc([C@@H]2CCC[C@@]3(C2)c2cccc(F)c2CCN3[C@H]2CCSC2)c(O)n1 962711834 PYKNFKPJZZGEAN-ZCCHDVMBSA-N 415.534 3.944 0 1 HHAF CCCCCS(=O)(=O)c1ccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962927452 RDCRFPUKSULECX-QFIPXVFZSA-N 414.571 3.587 0 1 HHAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963101395 RKDLHHFEWXGEQB-AEFRCRGFSA-N 404.526 3.991 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(C[C@H](C3CC3)N(Cc3ccccc3)C2)N1 963229401 KQZFSEMTOAHVOD-BFLUCZKCSA-N 413.521 3.714 0 1 HHAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCc1cc(N)ccc1-2 1772583675 CBLHGBAZPIZWKP-UHFFFAOYSA-N 411.465 3.981 0 1 HHAF CC(C)N=c1nc(Nc2nc(-c3ccc(Cl)cc3)cs2)[nH]c(=NC(C)C)[nH]1 1857546661 PZCTWVLRPHBLLA-UHFFFAOYSA-N 403.943 3.877 0 1 HHAF Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)cc1 1857589485 XQSLHAGRTWRCMI-AZUAARDMSA-N 412.896 3.755 0 1 HHAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCC(=O)OC 2356608801 ICEDJQYHANHREW-AABGKKOBSA-N 409.567 3.709 0 1 HHAF CN(C)C1(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCCCC1 12573952 MKMUMADTHAYQCG-IBGZPJMESA-N 419.997 3.502 0 3 HHAF Cn1c(=O)cc(OCCCC(=O)Nc2cc(-c3ccncc3)ccn2)c2ccccc21 198357412 FECDNNKZAXOAIW-UHFFFAOYSA-N 414.465 3.793 0 3 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](C)(O)C2 599630 NXFQFMQHRMNENU-CKUXNOBLSA-N 415.599 3.954 0 1 HHAF COc1ccc2nc(NC(=O)C3(S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 4893286 LAAYCUIWSJQCEN-UHFFFAOYSA-N 402.497 3.558 0 1 HHAF CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)Nc1cccc(O)c1 25434163 ZWZNLUGLEWPUDI-CABCVRRESA-N 401.894 3.958 0 1 HHAF biogenic O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 25940291 GXJCHNMTEZVNMR-UMNHJUIQSA-N 418.803 3.699 0 1 HHAF CCCCC[C@H](Cc1ccccc1)NC[C@@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 26826565 TTXUYTXVESVGKP-DENIHFKCSA-N 420.575 3.578 0 1 HHAF COc1cc2c(ccn2C)cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2F)C1 28708587 GRNYFRKKOUYZOC-UHFFFAOYSA-N 422.435 3.985 0 1 HHAF Cc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12 34948021 WIRUYYYAAJOIKO-UHFFFAOYSA-N 410.428 3.623 0 1 HHAF COc1ccc(OCCc2ccccc2)cc1Cc1cnc2nc(N)nc(N)c2c1C 58661051 VSDLZXWDJQMRIQ-UHFFFAOYSA-N 415.497 3.719 0 1 HHAF in-vitro C[C@H](C(=O)NCc1ccc(Cl)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 73224045 JIQONNXVXZOTSM-JTQLQIEISA-N 419.305 3.924 0 1 HHAF CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 82069618 MLCCKEDDNVTQLF-LJQANCHMSA-N 414.502 3.862 0 1 HHAF CCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)CC1 82091230 QWMJYRRZJNZSHY-UHFFFAOYSA-N 415.607 3.712 0 1 HHAF Cc1cc2oc(N3CCC(C(=O)N[C@H]4CCC[C@H](CO)C4)CC3)nc2cc1Cl 95582975 BVUIHNKCEFPMBL-HOCLYGCPSA-N 405.926 3.673 0 1 HHAF O=C(N[C@@H]1Cc2ccc(CNCCC3CC3)cc2C1)c1ccc(OCC2CC2)cn1 96174233 UOTYHSLYFVRHLW-JOCHJYFZSA-N 405.542 3.657 0 1 HHAF C[C@@]1(c2cccc(CC(=O)c3ccc(Br)cn3)c2)CCSC(N)=N1 96174366 QRAHOXGYXPHUIO-SFHVURJKSA-N 404.333 3.936 0 1 HHAF COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)ccn1 96931971 KIOBXAPOKNHAAC-NRFANRHFSA-N 420.513 3.818 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCCCCn1ccnn1)[C@@H](c1ccc(Cl)cc1)C2 101303869 ACGWDXHPVXMSNJ-NCYKPQTJSA-N 416.953 3.912 0 1 HHAF Cc1c(Cl)cccc1N1C(=O)c2ccccc2[C@@]1(O)c1ccc2c(c1)NC(=O)CO2 116252542 RWZGTKNZCVARNP-QHCPKHFHSA-N 420.852 3.833 0 1 HHAF COc1cc2c(Cc3ccc4cccc(OCC(N)=O)c4n3)cnc(C)c2cc1OC 145153265 GIUPLODDZVDWQM-UHFFFAOYSA-N 417.465 3.564 0 1 HHAF CCOO[C@H]1C(=O)N(CCN(C)C)c2ccccc2S[C@H]1c1ccc(OC)cc1 201533568 UBMDAHUYAHKXDV-RTWAWAEBSA-N 416.543 3.774 0 1 HHAF Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)c1 586966241 KLTZSTSZOCFFGO-UHFFFAOYSA-N 405.483 3.989 0 1 HHAF COc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(I)c1 587180521 SWRHPBHAVYBZAQ-UHFFFAOYSA-N 412.158 3.680 0 1 HHAF COc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350933 SQNYZDQTQZOBQW-CVDCTZTESA-N 405.381 3.746 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(C(=O)O)cccc41)[C@@H](C2)C3=O 587452825 VLVFMXWBQJRUGN-AVRWGWEMSA-N 412.397 3.629 0 1 HHAF CC(C)(C)OC(=O)N[C@@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587512773 PKJOEFAEOURLAD-KSFYIVLOSA-N 403.475 3.657 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587560759 JXVKZKKGIUYWHE-IWCGOQOOSA-N 409.530 3.853 0 1 HHAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C 587632645 NXKRTVUCKWAMJX-UHFFFAOYSA-N 406.797 3.710 0 1 HHAF CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587775378 ZQACFGATZPQQBG-NSPYISDASA-N 407.283 3.958 0 1 HHAF CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798070 NSMHJOMNUXGLGV-IWIIIKDNSA-N 400.288 3.821 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807696 LLJDUQXBAQRQKC-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C 587829111 VYZODSMVPFCUSU-RJJAKRAASA-N 424.310 3.798 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccccc12 587840054 HRNYOWUXSWBMAD-GIGQVBGESA-N 404.235 3.727 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 587847721 HDNXXTADFROWSO-KZULUSFZSA-N 412.324 3.812 0 1 HHAF COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(N)cc2)cc(OC)c1OC 653714142 BGTVIECAQQJSHY-GGAORHGYSA-N 420.465 3.830 0 1 HHAF Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ncccc3N)cc1Cl)C2=O 653846508 GMUKIZAUXWBOSI-UHFFFAOYSA-N 406.829 3.679 0 1 HHAF CCOC(=O)[C@@H]1CCc2ccncc2[C@]12c1ccsc1CCN2Cc1cccn1C 962400286 UDCJOGUHWLPEAO-RDPSFJRHSA-N 421.566 3.909 0 1 HHAF C[C@H](CCCCC(=O)O)[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705285 VQSGMEXRPZAYKE-QEIWDELWSA-N 405.388 3.940 0 1 HHAF Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NCCc2ccccc2)c(F)c1 1772589908 ZNXZUBMZZZIJJJ-UHFFFAOYSA-N 420.488 3.731 0 1 HHAF O=C(NC1CCNCC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772614841 UJQOXXJIUNUOLA-UHFFFAOYSA-N 416.403 3.923 0 1 HHAF CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3cnccn3)CC2)C1 1857549635 GWXVEODILAUIES-CZIWCDLHSA-N 410.909 3.761 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356288608 HZOVZICTVIAROK-BJLQDIEVSA-N 405.589 3.578 0 1 HHAF CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]21C 2356618743 GCQMZZDJVNUQJV-DHECBZALSA-N 408.535 3.998 0 1 HHAF CCOc1ccccc1Nc1oc2cc(=O)ccc-2cc1C(=O)NC[C@H]1CCCO1 5444752 LNVLGPPFMCSNAI-QGZVFWFLSA-N 408.454 3.796 0 3 HHAF CCCCN1CC(=O)N2[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O 36389045 DVPFLKHJGUAYNA-HXNUEKDGSA-N 404.510 3.763 0 3 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C 13398011 WQOZGNFAVRFSGE-GVGWEKESSA-N 416.514 3.626 0 1 HHAF in-man CN(Cc1ccccc1)C[C@@H]1CCN(CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1 13765969 KMLVACYJGWFFAW-NRFANRHFSA-N 414.557 3.745 0 1 HHAF CCc1cc(OCCc2ccc(C(=N)N)cc2)cc(OS(=O)(=O)c2ccccc2)c1 13864359 KJMKQBIUVDCIRX-UHFFFAOYSA-N 424.522 3.922 0 1 HHAF CC1=C(C(=O)Nc2c(Br)cccc2Br)SC2=NCCN21 27656582 GMRVCTPVDNPWPH-UHFFFAOYSA-N 417.126 3.800 0 1 HHAF Cc1cccc(C)c1Nc1nn(CC[C@@H](O)CO)c2nc(Nc3ccccc3)ncc12 34894606 QYPXYHBMOKMJRW-GOSISDBHSA-N 418.501 3.674 0 1 HHAF Ic1ccc(Oc2cncc3sc(-c4nnn[nH]4)cc23)cc1 40428988 PQVDKUZOKMCUSV-UHFFFAOYSA-N 421.223 3.873 0 1 HHAF CCCCn1cc(C(=O)OCC)c(=O)c2ccc3c(nnn3Cc3ccccc3)c21 66100704 JXHRQQRJMLWQOS-UHFFFAOYSA-N 404.470 3.771 0 1 HHAF COCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc(F)cc2)n1 82141237 QDXZTRBETNXQNM-UHFFFAOYSA-N 414.868 3.924 0 1 HHAF CCCCNc1ncc(C(=O)N2CCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82143710 MIPOELNRGMFGON-UHFFFAOYSA-N 414.506 3.617 0 1 HHAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 82209455 HGZMNGGMWNRIQN-GOSISDBHSA-N 424.570 3.983 0 1 HHAF NS(=O)(=O)c1ccc(-n2ncc3c2-c2ccc(C(F)(F)F)cc2SC3)cc1 95575122 UIWAHXLXRURYJZ-UHFFFAOYSA-N 411.430 3.811 0 1 HHAF O=C(NC1CC1)N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 95592896 WTUWYSGEYIEUDB-LJQANCHMSA-N 404.436 3.679 0 1 HHAF COCCn1c(=O)nc(-c2ccc(COCCN(C)C)cc2)c2oc3ccccc3c21 96910009 JTXWZVVLCLFAPN-UHFFFAOYSA-N 421.497 3.534 0 1 HHAF Cc1ccc(CN2[C@@H]3CC[C@@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1OCCO 100617036 ODUYVHAFJTXMAF-FGZHOGPDSA-N 406.530 3.850 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)C(=O)C2 100640573 BNMJXVWOIBLBIM-GAJHUEQPSA-N 417.546 3.911 0 1 HHAF CCOC(=O)c1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1 101556697 JRYNLODJMAKSHC-CALCHBBNSA-N 408.506 3.640 0 1 HHAF CN1O[C@@]2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 141970613 DMRMCCPIFVLESW-FQEVSTJZSA-N 414.303 3.504 0 1 HHAF CCS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 219245980 SIKZOJIFMBUYSK-UHFFFAOYSA-N 415.519 3.849 0 1 HHAF in-vitro COC(=O)c1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1F 220711250 VFEJDUBQCMGEIW-SFHVURJKSA-N 412.490 3.866 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C 299873714 AFAMMXDWWMBOQI-NPFVIJTESA-N 419.566 3.784 0 1 HHAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(F)c(Br)c3[nH]2)cc1 586940685 BZXNQATWYQJICB-CMDGGOBGSA-N 424.295 3.863 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@H]2CCCC[C@@H]21 586962273 WFIGMHRETLDWNO-SNPRPXQTSA-N 417.922 3.652 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)c(F)c(F)c2[nH]1 586965196 TWNVJXVSRGYIAV-UHFFFAOYSA-N 423.880 3.951 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587041883 HIABVGTUYLLDKL-ZDUSSCGKSA-N 423.420 3.610 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587068818 FFMVEPBTVOZVRE-OAHLLOKOSA-N 420.966 3.580 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587454578 YWIARMJVZYLGFR-QMHKHESXSA-N 404.491 3.914 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]cc(C(=O)O)c(=O)c3c1)CC2=O 587488727 JDBVFZJJXGRVSP-HSZRJFAPSA-N 407.422 3.765 0 1 HHAF COCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533751 UXLBOSYDOZQLJG-OAQYLSRUSA-N 400.496 3.692 0 1 HHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587786501 QVMGOVCSQOSOJN-CHWSQXEVSA-N 415.243 3.967 0 1 HHAF C=C1NC(C)=Cn2nc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc21 587796800 QJRSBUWMHPCUPA-GIGQVBGESA-N 403.299 3.975 0 1 HHAF CC(=O)c1ccc2c(c1)[C@H](c1ccc(C=O)o1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635019 SUSJGSICHKVPGC-PKOBYXMFSA-N 413.426 3.631 0 1 HHAF CCOC(=O)c1cnn(CC(=O)c2ccccc2)c1NC(=O)Nc1ccc(F)cc1 1772646117 MNARNSUSLLKTBF-UHFFFAOYSA-N 410.405 3.726 0 1 HHAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)CC3CCOCC3)c2)CC1 1772646422 LXAJLXHQHSBZCO-UHFFFAOYSA-N 415.578 3.569 0 1 HHAF c1cnc2ccc([C@@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 19346988 YEJHRWFRUUSJMJ-GGAORHGYSA-N 417.561 3.596 0 3 HHAF COc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCCCC4)c32)cc1 36382411 KLRJRNISIUJITI-IBGZPJMESA-N 409.534 3.849 0 3 HHAF COc1cc2[nH]c(-c3ccc4c(c3)N(C(C)=O)CCO4)cc(=O)c2cc1-c1cnco1 13487609 BHEYLEPHDVEWRS-UHFFFAOYSA-N 417.421 3.604 0 1 HHAF COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 13732858 YPPFHWFXNYPRSR-QFIPXVFZSA-N 414.465 3.657 0 1 HHAF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1c[nH]c2ccccc12 14517576 ZPBZNCYZXLJJKQ-LEQVUBRHSA-N 401.466 3.953 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C 14927157 WQOZGNFAVRFSGE-GHIJTFDNSA-N 416.514 3.626 0 1 HHAF endogenous,in-man COc1cc(C(=O)O[C@@H]2C=C(C)C(=O)C[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O 15052100 OZMABICMIHKNMC-DWQJTFDBSA-N 402.487 3.649 0 1 HHAF biogenic CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)cc1 39033876 UTKVKYWAOULRJL-DCGLDWPTSA-N 424.485 3.526 0 1 HHAF COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)COC3=O)c1 40943458 NWOUUVJCKIKPIW-LJQANCHMSA-N 409.438 3.827 0 1 HHAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)Nc1ccccc1 43527023 LVCZIDTYAGVTHB-JCTONOIOSA-N 404.558 3.577 0 1 HHAF biogenic CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(Cl)c1 71295319 QRUMBMRKNGCWGY-UHFFFAOYSA-N 423.300 3.919 0 1 HHAF CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)C1CC1 72119910 FFYZEFRJDFEGSK-LJQANCHMSA-N 424.570 3.545 0 1 HHAF CC(=O)N1CC=C(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168999 YODIYFNFHYLREM-UHFFFAOYSA-N 400.482 3.533 0 1 HHAF Cc1ccc(NCC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101028664 SWTSVJJELSHLQP-OYRHEFFESA-N 403.482 3.810 0 1 HHAF CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)C[C@H]1C 105509420 JFHMBOHEIJCTAZ-SJLPKXTDSA-N 420.985 3.600 0 1 HHAF O[C@H](COc1ccccc1)CN1CCN(c2ccc(Cc3ccc(F)cc3)cc2)CC1 164348368 XGEAWUDPENFQCI-VWLOTQADSA-N 420.528 3.978 0 1 HHAF COc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1 166250990 FJYOWAGOWYSGRX-UHFFFAOYSA-N 406.530 3.509 0 1 HHAF COC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1[C@]21N=C(N)N(C)C1=O 201218020 OBMDTPCNLIHYNL-UWFXLKAESA-N 424.932 3.516 0 1 HHAF O=c1[nH]c2ccc(O)c(-c3ccc(CN4CC[C@@H](O)C4)c(F)c3)c2c2ccsc12 204568344 SLQZMFLVKZULOP-CQSZACIVSA-N 410.470 3.821 0 1 HHAF O=S(=O)(Cc1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1 586921044 BGRUTCMXELSAEN-UHFFFAOYSA-N 418.400 3.964 0 1 HHAF O=S(=O)(Cc1nc2c(Br)ccc(Br)c2[nH]1)C1CCCC1 586923948 BELDMOAMIBZSAE-UHFFFAOYSA-N 422.142 3.945 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)O2 587375105 CEJGYHMJXQWARX-BMLIUANNSA-N 420.259 3.898 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(OC)c1OC)[C@@H](C2)C3=O 587413047 LYSYZOMRQYREPJ-SGTLLEGYSA-N 405.244 3.964 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)cc1CC(=O)O)CC2=O 587475595 AYSWZONLKNKZEJ-HSZRJFAPSA-N 414.454 3.870 0 1 HHAF CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587465 NXVTTWFKQAIXDT-JPYJTQIMSA-N 421.405 3.824 0 1 HHAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597396 UVMKALZHHBSTJO-CRKFXISPSA-N 409.438 3.876 0 1 HHAF Cc1nc(N2CCOCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613541 POJVVCLBQBZFAU-XLIONFOSSA-N 424.478 3.697 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587732271 JDNXIFINHGVSGI-MLCYQJTMSA-N 405.246 3.672 0 1 HHAF CCN(C)C(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1 653795339 GKBVKIQOAMKLBZ-UHFFFAOYSA-N 402.514 3.930 0 1 HHAF COc1cc2c(cc1OC)[C@@](c1ccccc1)(c1cccnc1C(=O)O)N(C)[C@@H](C)C2 962576040 SPOBRWXYKZNYPZ-IVCQMTBJSA-N 418.493 3.965 0 1 HHAF CC[C@H](C(=O)O)n1cc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962923526 REMHLDXOEYQVOK-YZZKKUAISA-N 410.445 3.679 0 1 HHAF CCOc1ccc([C@@]2(c3ccnc(C)c3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963471366 NXFQUXOOPLRMEA-DHLKQENFSA-N 418.493 3.694 0 1 HHAF Cc1cnc(NCCn2cc(NC(=O)c3ncsc3-c3cccc(C)c3)cn2)nc1 1772576234 ZDEBMTZGRGXJOL-UHFFFAOYSA-N 419.514 3.778 0 1 HHAF Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2cccnc12 1772652048 YRCMSWAPYVIAQO-UHFFFAOYSA-N 417.513 3.569 0 1 HHAF Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1Nc1nc2ccccc2s1 1857573965 ZMMQBFMCEGTJCX-UHFFFAOYSA-N 412.500 3.529 0 1 HHAF O=C(Cc1ccccc1)N1N=C(c2ccc3c(c2)CCCC3)C[C@]1(O)C(F)(F)F 1857752715 AZPVYMSQSKQMQK-NRFANRHFSA-N 402.416 3.995 0 1 HHAF CC(=O)NCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@@H]1C(C)C 2356864416 VULZJRYMIAYXAB-FDFHNCONSA-N 410.562 3.859 0 1 HHAF CC(=O)c1ccc(OCc2cc(C(=O)N3CCN(c4ccccc4)C[C@H]3C)no2)cc1 11874549 NZNASTOQVFBCJZ-QGZVFWFLSA-N 419.481 3.807 0 3 HHAF CCOC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 12478545 WDHNKTHBDUBGNE-INIZCTEOSA-N 413.417 3.904 0 3 HHAF CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(C=O)CCC(C)C 61927281 HHUUIRJVICTUSC-UHFFFAOYSA-N 422.529 3.844 0 3 HHAF Cc1ccccc1CN1CCN(c2ncc(C(=O)NCCc3ccccc3)s2)C1=O 205207953 DABZXFDJKPDISC-UHFFFAOYSA-N 420.538 3.866 0 3 HHAF CCOC(=O)c1sc2nc(SC)nc3c2c1NC(=O)CN3c1ccc(F)cc1 643187 PXOPNZBXMVYVEG-UHFFFAOYSA-N 418.475 3.819 0 1 HHAF COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2cccn2-c2ccc(Cl)cn2)c(C)c1 12049566 QFBNKGFHDCDRLF-RXVVDRJESA-N 422.916 3.832 0 1 HHAF COc1cc(OC)c([C@H]2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)cc1OC 15150829 IFQCOXCDQXGBFK-CQSZACIVSA-N 412.438 3.961 0 1 HHAF biogenic Cn1c(O)c(C(=O)C[C@H](NCc2ccncc2)c2cccs2)c(=O)c2ccccc21 24717268 QIWIPYMTEMUUIJ-KRWDZBQOSA-N 419.506 3.805 0 1 HHAF biogenic COC(=O)N(CC(=O)O)C(=S)c1cccc2c(C(F)(F)F)c(OC)ccc12 26501310 FUUIIWVAQIKCQV-UHFFFAOYSA-N 401.362 3.696 0 1 HHAF CN(C)c1ccc(S(=O)(=O)N[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C/C=C\CCCC(=O)O)cc1 29485580 XLWIMXMOILEVPT-UTELANNLSA-N 420.575 3.647 0 1 HHAF COc1cccc(NC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 45190831 FYFXSOCJUSINOF-GOSISDBHSA-N 422.464 3.768 0 1 HHAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@@H]1CCCN(C)C1)[C@H]3c1cccc(O)c1 45351708 ILPBYDQWNIUYOS-KOSHJBKYSA-N 403.526 3.998 0 1 HHAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 82179765 AHJLIYQHNOWKHX-UHFFFAOYSA-N 414.513 3.674 0 1 HHAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181058 FPNIVUCRXXDLFD-UHFFFAOYSA-N 420.904 3.895 0 1 HHAF CC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc(CO)oc13)C[C@@H](C(C)(C)O)O2 85594452 MPAJZGJSQLODOM-KRWDZBQOSA-N 402.487 3.805 0 1 HHAF biogenic,in-vitro CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)s1 95579776 NGEASUDJSWXSJE-UHFFFAOYSA-N 405.545 3.966 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccc(F)cc54)ccc31)[C@@H]1CC[C@@H](C2)N1 100632598 LJWJHWJGSWSNNT-YJBOKZPZSA-N 409.486 3.858 0 1 HHAF CCCCCC[C@@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231543 WQDPPRQETOFIOB-SECBINFHSA-N 413.062 3.976 0 1 HHAF Cc1cc(C)c2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)c(C)nc2c1 114077667 LVJONVYRGYYEGZ-UHFFFAOYSA-N 414.513 3.620 0 1 HHAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(C(=O)O)cc2)c1F 220717841 JFQXLGUIUCZSQU-MEDUHNTESA-N 420.868 3.713 0 1 HHAF COc1ccc(Oc2ccc([C@@H](C)N(C)c3ncc4c(N)nc(N)nc4n3)cc2)cc1 230562011 OWHDETKHTAYSHV-CYBMUJFWSA-N 417.473 3.583 0 1 HHAF O=C(N/C(C(=O)N1CCCCC1)=C(\Br)c1cccnc1)c1ccccc1 473110500 WJAZLQYHDXMFEP-ZCXUNETKSA-N 414.303 3.588 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nccc(C)c4[nH]3)cc2)cc1 586945098 VZEZMWFFIKZTPD-UHFFFAOYSA-N 420.494 3.614 0 1 HHAF Brc1c[nH]c2nc(Cn3c(-c4cscn4)nc4ccccc43)nc-2n1 587029261 MKZKNENJWWZTOT-UHFFFAOYSA-N 412.276 3.589 0 1 HHAF Nc1cccc(O)c1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587250278 LXAYWWITDSFRID-UHFFFAOYSA-N 414.874 3.972 0 1 HHAF Cn1ccnc1[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340444 HRPWWAMIHBJAOH-ZJSXRUAMSA-N 422.456 3.946 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587945418 DWCQOVNZLBGPLM-INIZCTEOSA-N 413.543 3.875 0 1 HHAF CCn1ncc([C@@]2(C(F)(F)F)c3cc(OC)ccc3CCN2CCCOC)c1C 961318067 FIFZZYJLVPNNIO-HXUWFJFHSA-N 411.468 3.921 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccc(NS(C)(=O)=O)c1 962378736 ZKNYKLVGDQDCOP-HXUWFJFHSA-N 401.557 3.606 0 1 HHAF C[C@@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)NCCc2c(C(=O)O)cccc21 963126040 VPHDWFXZVLWRJM-IBGZPJMESA-N 408.376 3.905 0 1 HHAF CCOC(=O)Nc1ccccc1[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236926 SUPYURYOWFLHDE-OFNKIYASSA-N 405.454 3.666 0 1 HHAF COc1cc2c(cc1O)CCN(Cc1cc(Br)c(OC)c(OC)c1)C2 1772614429 YBEFXTNBQNJQST-UHFFFAOYSA-N 408.292 3.739 0 1 HHAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2c1C 1772617455 VPDKAZOQYIOZHR-UHFFFAOYSA-N 419.455 3.736 0 1 HHAF Cc1[nH]c2ccccc2c1CCNC(=O)CCNCc1ccc(O)c2ncccc12 1857561578 FRMHTXAQVDEITF-UHFFFAOYSA-N 402.498 3.569 0 1 HHAF O=C(O)c1cnn(-c2nc(O)c3c(ccn3Cc3ccc(-c4ccccc4)cc3)n2)c1 1911585711 KROTXUCPWRNZDM-UHFFFAOYSA-N 411.421 3.736 0 1 HHAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 72104324 SMUNMAPRFOMDGB-MURVUTHMSA-N 416.573 3.894 0 3 HHAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(F)cc21 206035139 NYBDXLVGQXLYBT-IBGZPJMESA-N 413.836 3.989 0 3 HHAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 4050147 KCXUQGQAGCNPRK-ADYITMSISA-N 408.498 3.597 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCOC)c1 4207580 PTHHJTAUDITOBS-FPOVZHCZSA-N 416.905 3.983 0 1 HHAF CCCS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2F)C2CCCCC2)C1 4712501 SXDYYZZIAYHUPR-IBGZPJMESA-N 424.582 3.939 0 1 HHAF CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Oc3ccccc3)ccc2O1 13472647 SFVAIFYROLFTEU-UHFFFAOYSA-N 409.463 3.676 0 1 HHAF C[C@H](CN(C)c1nc2ccccc2o1)Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 27314696 BWMOTGSJGDXHLN-ACJLOTCBSA-N 411.483 3.626 0 1 HHAF C[C@@H](CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(c2ccc(F)cc2)CC1 29409087 YGNHEDMWLQZJBE-IBGZPJMESA-N 415.553 3.826 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C1 29416385 AORBODFCLVZZFJ-USXIJHARSA-N 417.912 3.820 0 1 HHAF COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc12 82055897 YCBCWQGLVCSJCN-JXMROGBWSA-N 422.550 3.868 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1ccccc1[C@@H](NC(=O)C(F)(F)F)C[C@@H]2O 84604634 MISWPTCEGRYQCL-KBPBESRZSA-N 411.376 3.536 0 1 HHAF CCCCO[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC 84690607 FIMLMQQPQHTIMO-RPWUZVMVSA-N 406.482 3.696 0 1 HHAF CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccccc2Br)ON1C 95586790 DFKSEUTYASRXRO-KGLIPLIRSA-N 421.228 3.616 0 1 HHAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(C)(C)O)(C4)C3)C1 101371160 ZCQXBBVNHQBPQI-ZVACVBEESA-N 422.566 3.688 0 1 HHAF COc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1 115731509 XNBIPPATVSCOJH-UHFFFAOYSA-N 411.479 3.785 0 1 HHAF CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2CC2CC2)C1 148084476 QOBVBKQBKKHPQV-UHFFFAOYSA-N 403.408 3.801 0 1 HHAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)[C@@H](O)c1ccccc1 164752665 LATBTIVUYJOACZ-NRFANRHFSA-N 410.437 3.687 0 1 HHAF O=C(Nc1ccc(C(=O)N2CC[C@@]3(CCCCN3)C2)cc1)N1Cc2ccccc2C1 166347815 FPOPNYXWOCCLJY-DEOSSOPVSA-N 404.514 3.593 0 1 HHAF COc1ccc([C@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC 169715447 DPSXMDPPIOOOCX-MPBGBICISA-N 419.886 3.732 0 1 HHAF Oc1ccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112524 LFRJCEWTPSKRRK-QHCPKHFHSA-N 414.625 3.550 0 1 HHAF Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)n1 205800724 YWPPZQMTZSRPCK-CABCVRRESA-N 419.514 3.683 0 1 HHAF C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C[C@@H](C)O1 224757987 VJCSRRUCILKYAQ-HUUCEWRRSA-N 406.461 3.781 0 1 HHAF O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 261153769 PLNFKYPQSOGZAX-RGCFKVTRSA-N 420.937 3.778 0 1 HHAF O=c1c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)coc2ccccc12 299861110 KJNSFCMMVQTDMB-UHFFFAOYSA-N 413.480 3.662 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(O)cc2[nH]1 586956330 GNOYTSASRUBLKN-UHFFFAOYSA-N 421.478 3.696 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(O)c3[nH]2)C[C@@H](C)O1 586968641 PQFSXHRWCXPGBT-BETUJISGSA-N 422.514 3.513 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnn1[C@H]1CCCCO1)O2 587377286 LZLMYCXPTKXQLV-HZPDHXFCSA-N 406.280 3.942 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc3[nH]c(=N)[nH]c3c1)O2 587386473 ZDDOGPANEOTICO-HSZRJFAPSA-N 402.429 3.914 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4c(C(=O)O)noc4C)c1)[C@@H](C2)C3=O 587434896 AGWVSJTYCRSQJS-AOMKIAJQSA-N 421.405 3.758 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O 587439552 VHPCNCHMFBYMTO-RNMIHPJCSA-N 423.509 3.672 0 1 HHAF CCOC(=O)[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590052 WUEINILCJQDISI-WZONZLPQSA-N 405.406 3.516 0 1 HHAF Cc1ccc(NC(=O)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659088 XLFWWOAISYRZBO-UHFFFAOYSA-N 401.397 3.790 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(C(F)(F)F)N1 587706795 RGVKHSCLVQNCOX-BJOHPYRUSA-N 404.205 3.913 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 587723081 VJQJIUCNKBNBIJ-PWCHPLFNSA-N 408.193 3.670 0 1 HHAF CCCC(=O)C[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795194 HVTRUKXFEVGYEG-VOJFVSQTSA-N 400.288 3.640 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587836825 XSBHTGWLSAQHKG-XLFHBGCDSA-N 422.250 3.777 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(N2CCOCC2)n1 587866035 BRCMXIGZQIXVMA-UHFFFAOYSA-N 419.407 3.583 0 1 HHAF CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc1 587957178 RSFJQKPLOGTBLA-UHFFFAOYSA-N 413.543 3.971 0 1 HHAF CCOC(=O)[C@@H]1CCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C(=O)C1 653838768 HVTZIWLATQTGHE-MRXNPFEDSA-N 405.454 3.726 0 1 HHAF C[C@H](C[C@]1(c2cccc(CO)c2)c2ccsc2CCN1Cc1cccn1C)C(=O)O 962401138 VNCCHKFWCMGTMW-OSPHWJPCSA-N 424.566 3.992 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1ccc(I)o1)N(C)[C@H](C)C2 962640577 WWAWHLFEYJBAGM-QGHHPUGFSA-N 413.255 3.867 0 1 HHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccccc2-c2ncc[nH]2)N1 962642937 RQIKIDLTTIOHCO-PBHICJAKSA-N 403.360 3.664 0 1 HHAF Cc1ccc(C)c([C@@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963505456 BAMVGOOAISBWIQ-WIOPSUGQSA-N 402.494 3.912 0 1 HHAF C[C@@H](O)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772636607 ISGNIZPIFFMXKW-YBHKSSGVSA-N 413.481 3.983 0 1 HHAF COc1cc(-c2ccccc2)ccc1C(=O)N[C@@H](Cn1ccnc1)C(=O)OCC(C)C 1857602471 SLZKLLNDAMTNHY-NRFANRHFSA-N 421.497 3.557 0 1 HHAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@H]1c1c(F)cccc1Cl 1857651304 XFELOHSOMGRFHB-SFHVURJKSA-N 421.906 3.937 0 1 HHAF COc1ccccc1N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@@H](CO)C=C2C)CC1 2356308831 CDFMKBMDNQNXAC-HBMCJLEFSA-N 400.563 3.581 0 1 HHAF COc1cc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc(OC)c1OC 2926519 LIIPJFGCWHMPFX-UHFFFAOYSA-N 421.453 3.883 0 3 HHAF CCCCNC(=O)c1ccc2nc(CC)c(N(CCC(C)C)CCN(C)C)n2c1 61930381 YVRDMVKKGUEFJE-UHFFFAOYSA-N 401.599 3.841 0 3 HHAF CC[C@H](C)N(C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O)[C@@H](C)CC 201441947 WFCDTQBYLOJDFT-ROUUACIJSA-N 406.530 3.808 0 3 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCc2ccccc2N)cc1 770213 GTFBYEYHKPPQFX-UNMCSNQZSA-N 420.538 3.805 0 1 HHAF Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 2459704 CYPMHIGOSXRKCB-UHFFFAOYSA-N 404.532 3.932 0 1 HHAF CN(C(=O)Cc1cccs1)C1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 3614972 CAJNUXRUXWIHHR-UHFFFAOYSA-N 400.500 3.819 0 1 HHAF C[C@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 13759380 BQJGXJBNCVRJQI-MRXNPFEDSA-N 418.632 3.899 0 1 HHAF O=C(Cc1cccnc1)N1CCN([C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 13775747 NFOBRQKVVNPFBA-HSZRJFAPSA-N 406.917 3.606 0 1 HHAF COc1cc2c(cc1OC)-c1c(oc3c4c(cc(O)c3c1=O)OC(C)(C)C=C4)[C@H](O)O2 14768750 NVIZHSSHHRHDLE-JOCHJYFZSA-N 424.405 3.750 0 1 HHAF biogenic C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1)c1cccnc1 28524315 GPYLTQZXDLNCGX-AWEZNQCLSA-N 404.449 3.555 0 1 HHAF COc1cccc(C(=O)Nc2cccc([C@]3(C4CCCCC4)N=C(N)N(C)C3=O)c2)c1 34949742 DMXXMELVGMWDME-DEOSSOPVSA-N 420.513 3.510 0 1 HHAF COc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1 35951294 MBKIFLFRYIEMRC-UHFFFAOYSA-N 407.514 3.774 0 1 HHAF CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 72122901 WENDLSLEOSIVLM-UHFFFAOYSA-N 411.618 3.980 0 1 HHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CCCCC2)[C@@H]1c1[nH]cnc1Cl 103169350 NWEUUAILIYXQCX-MRXNPFEDSA-N 407.898 3.594 0 1 HHAF Nc1ccc2c(c1)[C@H](O)[C@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 103232429 VOVXPCSLEFSNJQ-UPCLLVRISA-N 412.505 3.694 0 1 HHAF CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]1c1ccccc1Cl 587060987 GTOSVIJYCCNEEN-ODXCJYRJSA-N 410.861 3.624 0 1 HHAF Cc1cc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123549 DLMPAAOVDHIWKD-AWEZNQCLSA-N 413.381 3.524 0 1 HHAF CN1CCN(c2ccc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3c2)CC1 587127586 YAZBUHPUGOWAFF-UHFFFAOYSA-N 416.407 3.757 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138874 UXRACAFCOWLIND-UHFFFAOYSA-N 411.449 3.796 0 1 HHAF N[C@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1F 587142686 KYFCQLYUOIXEMT-SNVBAGLBSA-N 414.076 3.865 0 1 HHAF O=C1C[C@H](c2nc3ccnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587148680 JYWPCSXVRHCPFM-JTQLQIEISA-N 407.218 3.515 0 1 HHAF COC(=O)c1cc(Br)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377920 QHDBVLPAQWZUIQ-OAHLLOKOSA-N 406.232 3.538 0 1 HHAF Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391834 UGHCBTAHQUQGCG-XMMPIXPASA-N 404.466 3.760 0 1 HHAF CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423370 IVYYTXAFPUBYPV-ASSNKEHSSA-N 406.356 3.709 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CC(=O)OCC)c1Cl)CC2=O 587463398 YTPRBAPZLKVXBY-INIZCTEOSA-N 406.866 3.773 0 1 HHAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1sc(Cl)c(Cl)c1Cl 587564122 ZKTANIKGIVPGDQ-UHFFFAOYSA-N 406.634 3.752 0 1 HHAF COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1C=O 587591161 GBMRRFSYZZPTFL-CVDCTZTESA-N 422.389 3.630 0 1 HHAF COc1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661523 ZGWRAVKZTNDAPY-UHFFFAOYSA-N 404.397 3.930 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587742616 AXSGPSQXSXAEAS-APBUJDDRSA-N 405.267 3.567 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nn2)N1 587760261 OMWYRARWDBJQRO-CWTRNNRKSA-N 401.283 3.852 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O 587797513 VTFVTJDOAFYDPX-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF COc1ccc2c(c1OC)[C@](C)(CCc1ccc(OCC(=O)O)cc1)N(C)[C@@H](C)C2 962636186 YNSRHJVBTFGOAN-FYSMJZIKSA-N 413.514 3.892 0 1 HHAF CCOC(=O)C1(c2ccncc2)CCC2(CC1)N[C@H](C)Cc1c(OC)ccc(OC)c12 963635141 LOITWYDGDCFOSG-XSHKEIFESA-N 424.541 3.903 0 1 HHAF Cc1cc(-c2nc3ccc(N4CCOCC4)cc3n2Cc2ccccc2)cn(C)c1=O 1772654616 BCNIOVJWVGWROY-UHFFFAOYSA-N 414.509 3.595 0 1 HHAF COC(=O)C1=C(N)Oc2ccc(Br)cc2[C@H]1CC(=O)c1ccccc1 1857649873 XLSACJABOJTEOV-CQSZACIVSA-N 402.244 3.541 0 1 HHAF C[C@@H](N=c1[nH]c(-c2cccc(C(F)(F)F)n2)nc(=NCc2ccccc2)[nH]1)C1CC1 1857650202 IUYXTIDKXVUWDD-CYBMUJFWSA-N 414.435 3.619 0 1 HHAF CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356505513 GZWAPPJQZHYUJY-XUFREYRYSA-N 418.530 3.823 0 1 HHAF CCOC(=O)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1 4972073 GFVDPTUHVHHIHR-UHFFFAOYSA-N 420.465 3.683 0 3 HHAF CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H]2N1C(=O)[C@]2(C)OCc1ccccc1 5835792 DWEHYYMYUHOBEE-YZUZCNPQSA-N 408.498 3.807 0 1 HHAF Cc1c(C(=O)NCCCc2ccncc2)cnn1-c1nccc(-c2ccccc2F)n1 12078915 DNFZWDMCTVYIBU-UHFFFAOYSA-N 416.460 3.534 0 1 HHAF COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 13820600 MBIMLBIDRSPVIF-OAHLLOKOSA-N 419.319 3.558 0 1 HHAF C[C@@](Cc1ccccc1)(NC(=O)CCCOc1ccc(Cl)cc1Cl)C(N)=O 26398677 ACDCKSXPKHRAPK-FQEVSTJZSA-N 409.313 3.755 0 1 HHAF O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCC[C@H]1C1SCCS1 28259510 KNIHQNCUSQOEJP-SJORKVTESA-N 406.573 3.585 0 1 HHAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]12 29571376 ROBLJKDXALYRTO-LDIGTXGYSA-N 424.578 3.796 0 1 HHAF CCOC(=O)C1=CC[C@@H]2c3c(c4ccccc4n3C)C(=O)[C@H]1N2C(=O)OC(C)(C)C 36387617 NVHMRQFLOHDZIF-AEFFLSMTSA-N 410.470 3.915 0 1 HHAF C/C=C/c1cc(OC)c(O[C@H](CO)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 40874368 DUJNSKUXRWKFJS-OZSKJFCKSA-N 418.486 3.745 0 1 HHAF NCc1ccc(Nc2nnc(Nc3ccc(C4=NCCN4)cc3)c3ccccc23)cc1 43067618 DQOOPKPLAFDHEQ-UHFFFAOYSA-N 409.497 3.926 0 1 HHAF C[S@](=O)c1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCOCC3)c2)[nH]1 71317526 BRDFGPFUFMFCTP-MUUNZHRXSA-N 400.479 3.606 0 1 HHAF O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F 95893687 PTTVLLXGMCYJBL-SGNDLWITSA-N 402.469 3.815 0 1 HHAF CC(C)NC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96939130 PXYTTWPKWBWEHH-KRWDZBQOSA-N 406.529 3.898 0 1 HHAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100108044 PUQLLSXBJCUOFR-RUMRUAAYSA-N 416.452 3.801 0 1 HHAF CCCC[C@]12C[C@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 101054976 CESRDADCMWXVSB-YADHBBJMSA-N 411.889 3.848 0 1 HHAF c1cc(-c2nn(C3C[C@@H]4COC[C@@H](C3)N4)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 101417526 YEEFQERYHQOGGF-WOJBJXKFSA-N 424.508 3.598 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3Cc2ccccc2)nc1 142234680 RFDNTGJGXJPZQD-KRWDZBQOSA-N 400.482 3.566 0 1 HHAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2sc(N3CCSCC3)nc12 208127791 SANVHAQNNWQZIJ-UHFFFAOYSA-N 408.936 3.754 0 1 HHAF O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C[C@@H]1Cc1ccccc1 216984759 PVXXERFIASCIOL-IZIBRLFBSA-N 417.549 3.623 0 1 HHAF CCOc1ccccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225057510 PBRRKFWSXPTASP-UHFFFAOYSA-N 406.467 3.891 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC/C=C\I)[C@H](c1ccccc1)C2 253782709 PTARSFHGDDMYOJ-ABMAPFSCSA-N 411.283 3.745 0 1 HHAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586923292 JAKBXOGKEPNMQB-UHFFFAOYSA-N 423.523 3.688 0 1 HHAF Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1NS(=O)(=O)C(F)(F)F 587123551 DLWTWPVZJYHOLB-UHFFFAOYSA-N 413.377 3.571 0 1 HHAF NC1CC(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C1 587255637 UKAJXFMZLVDOEH-UHFFFAOYSA-N 424.448 3.662 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420632 QOKDEYOWJHCOKX-IVZQSRNASA-N 414.841 3.514 0 1 HHAF CCOC(=O)C1(c2ccncc2)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437310 XIQHJZRXUZKOFL-WZFBRQLOSA-N 407.466 3.652 0 1 HHAF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](N=O)C2 587574819 YXKOBUCHJXVMMA-VIZSFHNOSA-N 403.390 3.949 0 1 HHAF C[C@H]1CN(C[C@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587759563 GKKOFMITECBEJG-XGNBGGDFSA-N 411.359 3.839 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587797943 UAGDVOFMZAMRJF-DGIBIBHMSA-N 405.267 3.635 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C(CCCC(=O)O)(CCCC(=O)O)N1 587825243 BRZYZXGBMHTCAW-NSHDSACASA-N 416.287 3.828 0 1 HHAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587952085 LTQXYFAINZQXAY-QINHECLXSA-N 421.563 3.630 0 1 HHAF CCOC(=O)CCCC[C@]1(c2cc(OC)cc(OC)c2)NCCc2ccc(O)cc21 963328480 GHFSVORCJXCFDM-XMMPIXPASA-N 413.514 3.922 0 1 HHAF CCOC(=O)c1c(N)sc([C@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1C 963586570 VWIUFZFAYYMJFS-WSVYEEACSA-N 404.532 3.630 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC[C@@H](C(=O)NCC4CC4)CC3)c2)c1 1772629750 GEJGQEPLAWONJW-OAQYLSRUSA-N 420.557 3.771 0 1 HHAF Cc1ccccc1CN1CC[C@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772645265 KUVFQBCWWCBTFO-SFTDATJTSA-N 400.469 3.926 0 1 HHAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 61905552 QKAARUNTBUOCBX-OAQYLSRUSA-N 403.438 3.658 0 3 HHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCC2=CCCCC2)C(=O)[C@@]31C 2104240 HPICTCUROUEKGK-XMMPIXPASA-N 407.514 3.509 0 1 HHAF biogenic CCCCN(C)C(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 8596174 MZASGHCTUOHSSO-MRXNPFEDSA-N 411.481 3.899 0 1 HHAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)cn1 13487295 XWJJVKFTMCCOFT-UHFFFAOYSA-N 407.447 3.934 0 1 HHAF C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOC 13806970 ITJFSLJZVPCUFT-UHFFFAOYSA-N 417.828 3.711 0 1 HHAF CC(C)NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 14970740 WRFODILBPBFVTC-UHFFFAOYSA-N 406.490 3.555 0 1 HHAF Cc1oc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc1C[S@](=O)c1ccccc1 20560168 QUCFDXLQQVAJHQ-HZAQMHFWSA-N 424.522 3.867 0 1 HHAF Cc1ccc(CSc2nc(=O)c(Cc3cncnc3)cn2Cc2ccco2)cc1 26575125 BABCVILDLVYRGB-UHFFFAOYSA-N 404.495 3.866 0 1 HHAF CCCCCCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27312009 PAYGXWNDSSOPEP-RDJZCZTQSA-N 419.497 3.599 0 1 HHAF Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 28457556 ZVCPFIVWZOOHLT-UHFFFAOYSA-N 421.569 3.525 0 1 HHAF O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1 28866863 PWICXUFZUYFPEW-LJQANCHMSA-N 419.312 3.664 0 1 HHAF Cc1nc2nc(C(=O)Nc3ccon3)cn2c(-c2ccc(Cl)cc2Cl)c1CN 58582366 HCRFDODCKQUINX-UHFFFAOYSA-N 417.256 3.711 0 1 HHAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCCc3ccccc3)c2cc1OC 82127764 WKACSMUZUKDGAW-GOSISDBHSA-N 422.529 3.510 0 1 HHAF C[C@H](C(=O)NCCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 82158470 QERPRXOXUGPMNH-HNNXBMFYSA-N 420.550 3.957 0 1 HHAF CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C1 101668512 YXOCMNIVIOISGO-RHHMDGMQSA-N 405.542 3.836 0 1 HHAF O=C(N[C@H]1[C@@H]2CN(CCCc3ccccc3)C[C@@H]21)[C@@](O)(c1ccccc1)C1CCCC1 102086845 DJBRSVQJAQGQJK-DPRQWMOBSA-N 418.581 3.744 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@H]3CC[C@@]12C 253635789 SZDSCLOAPYDVBU-XXAYQNQTSA-N 402.579 3.513 0 1 HHAF CCOC(=O)c1cc2cc(N3CCN(C(=O)Nc4ccc(OC)cc4)CC3)ccc2o1 299825086 VYTCUOLTXSZUCF-UHFFFAOYSA-N 423.469 3.972 0 1 HHAF S=C(NCc1ccccc1)N1CCN(C(=S)SCc2ccccc2)CC1 299871274 YGXMGECPNMCAFF-UHFFFAOYSA-N 401.626 3.897 0 1 HHAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1S(N)(=O)=O 586993489 IOMJMHVRFYJRFW-UHFFFAOYSA-N 416.458 3.775 0 1 HHAF CCCc1sc(N)nc1-c1nc2c(I)cnc(Cl)c2[nH]1 587013755 YGQJZDRODOTPJN-UHFFFAOYSA-N 419.679 3.874 0 1 HHAF COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587028428 YCMBPRBBUCUFTP-ZMYBRWDISA-N 424.526 3.881 0 1 HHAF COC(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1OC 587204414 VAVPCKNKNGKNQL-UHFFFAOYSA-N 424.457 3.875 0 1 HHAF Nc1ncc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)cn1 587253791 FNBVHJULGSNJRX-UHFFFAOYSA-N 413.222 3.874 0 1 HHAF COC(=O)C[C@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587378651 WMZMWRNMXMBHSP-IBGZPJMESA-N 404.260 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCN(c4cccc(Br)c4)C1)[C@@H](C2)C3=O 587416894 HNWYOTUYPOMOOX-JXFKEZNVSA-N 400.272 3.854 0 1 HHAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541244 AABBCIUJNZDKAX-KDOFPFPSSA-N 411.237 3.850 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570416 WSDRZENJTFBCDF-OFNKIYASSA-N 408.381 3.952 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587735802 VHKRYJLUEVKREA-UGZDLDLSSA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 587744271 GRBMZPSELRBHHE-GIGQVBGESA-N 405.315 3.711 0 1 HHAF CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C 587774470 ODDYSPIIAUVQGK-BIBXISHDSA-N 403.295 3.905 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587830977 GPJKQJSKYPCOIE-XVWMFJGMSA-N 408.267 3.504 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@H]2CCCOC2)cc1F 1772634744 USTPUKPHUQZTTM-LLVKDONJSA-N 419.931 3.965 0 1 HHAF Clc1ccc(-c2nc3ccc(-c4ncccn4)cn3c2CN2CCOCC2)cc1 1857773486 KQNYTMJAVWQXAD-UHFFFAOYSA-N 405.889 3.944 0 1 HHAF CN(C)C1CCC(n2nc(Oc3cc(C(F)(F)F)ccn3)c3c(N)ncnc32)CC1 1911582249 QKOVGPVEBHGMPM-UHFFFAOYSA-N 421.427 3.660 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356466973 YQXLHFLNHBLJFI-FIXSFTCYSA-N 411.521 3.594 0 1 HHAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccccc2OC(F)F)c1 61908771 PZKRELROWVCWMN-OAQYLSRUSA-N 406.429 3.908 0 3 HHAF CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4c(c3)OCO4)c2c1N 1658806 UYZJXIZAGGHRRD-UHFFFAOYSA-N 404.473 3.644 0 1 HHAF CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1 2465399 ITSGMHNUBJEVSR-UHFFFAOYSA-N 418.334 3.712 0 1 HHAF COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491939 WSJZCVHNQAIUTI-FQEVSTJZSA-N 410.514 3.875 0 1 HHAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOCCO 4310639 OEAQOQCBRYMHMU-MOPGFXCFSA-N 414.905 3.618 0 1 HHAF COc1ccc2c(COc3ccc(I)cc3)cc(=O)oc2c1 5050446 AMRSZTIBTBJGNS-UHFFFAOYSA-N 408.191 3.985 0 1 HHAF CCOC(=O)[C@@H]1CCCN(c2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)C1 29549779 FHPCCRAETPUFNV-CQSZACIVSA-N 418.444 3.524 0 1 HHAF O=C(c1ccc(F)nc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 38346582 UPCUBZAYKNYBDJ-JOCHJYFZSA-N 407.832 3.687 0 1 HHAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccccc1)CC2 40762623 IGMRUXJGIQSJAC-PPJWLVRDSA-N 422.544 3.952 0 1 HHAF OC1CCC(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2F)CC1 40845100 VGXKTZVSOOULOP-UHFFFAOYSA-N 418.476 3.791 0 1 HHAF O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1 59081298 GDEGOXINVAEAGP-UHFFFAOYSA-N 403.389 3.812 0 1 HHAF Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)cc1C 64658603 IKJLMPHBVVSCOA-UHFFFAOYSA-N 412.433 3.551 0 1 HHAF CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71410882 SSRSQUUAUDSPIV-QGZVFWFLSA-N 410.901 3.938 0 1 HHAF CCN(C)c1ncc(C(=O)NCCc2ccccc2OC)c(-c2cccc(C)c2)n1 82216843 ACPKACNRHQHEQO-UHFFFAOYSA-N 404.514 3.889 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620849 TVCWDYMJEXZWQM-GGAORHGYSA-N 401.510 3.981 0 1 HHAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)N1Cc2ccccc2C1 166890502 PSJSAGRFLUXONM-UHFFFAOYSA-N 406.530 3.998 0 1 HHAF CNc1nc(Nc2cc(OC)c(C(=O)N(C)C)cc2Cl)ncc1C(F)(F)F 169705100 RYUMJZRWRQOTTP-UHFFFAOYSA-N 403.792 3.645 0 1 HHAF O=C(O)c1cccc(-c2cc(Nc3cccc(N4CCCC4)n3)c3nccn3n2)c1 207354639 LTAAJMVYSASANR-UHFFFAOYSA-N 400.442 3.833 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3cnccc23)CC1 299815319 OMZNVUXNVRRKLO-MOQCSKSOSA-N 417.509 3.763 0 1 HHAF COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)c1ccc(F)cc1F 299834802 VOUKSHVJGPPYQL-UHFFFAOYSA-N 422.395 3.517 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895694 UGZTZCPQOAJBCG-UHFFFAOYSA-N 409.467 3.532 0 1 HHAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(I)cnc2[nH]1 587027514 FFAAOGVEWLDJKI-UHFFFAOYSA-N 407.240 3.990 0 1 HHAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(F)c2)c1 587139008 ZKGILPKOAMTJGD-UHFFFAOYSA-N 418.363 3.849 0 1 HHAF O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587217450 WLIQKCWOBNXXNV-OAQYLSRUSA-N 422.506 3.628 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377042 GDROCBQCYZMUSH-OAQYLSRUSA-N 401.846 3.614 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccc3c(c1)OCCCO3)O2 587392346 SRYIJQJKGHCAQP-HXUWFJFHSA-N 405.454 3.846 0 1 HHAF C[C@@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549411 WSPLXXZZKKDZOJ-HNAYVOBHSA-N 413.227 3.822 0 1 HHAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585291 CYMCQYOLRBGCOY-MZLICYQSSA-N 419.433 3.854 0 1 HHAF O=C(O)C[C@@H]1CCc2occc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614561 CNWIUROEEFWRIA-GPZKINBFSA-N 406.390 3.879 0 1 HHAF COC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cccc(C(F)(F)F)c1 587650261 QGRZUERILJVAFJ-UHFFFAOYSA-N 411.401 3.973 0 1 HHAF C=C1NC(C)=Cn2nc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc21 587796082 PAGXJIMFXUHYJP-APBUJDDRSA-N 403.299 3.975 0 1 HHAF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(I)c(Cl)c1 963124922 REIMXWNCLZMNOW-OAHLLOKOSA-N 413.642 3.878 0 1 HHAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 2356305846 MLFTWGVCVKRXDY-IAGOWNOFSA-N 411.477 3.866 0 1 HHAF COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc(OC)c1 767496 HLMFGNQDKQSLSF-GGAORHGYSA-N 420.465 3.748 0 1 HHAF CCN1CCN(c2ncnc3sc(C(=O)Nc4ccc(F)cc4F)c(C)c23)CC1 2931455 VJDXOMXQNYLMPM-UHFFFAOYSA-N 417.485 3.672 0 1 HHAF CCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 3782894 QQFSFXONJOTGRX-UHFFFAOYSA-N 408.454 3.785 0 1 HHAF CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 13537944 DIWXPXNCGSGMLS-INIZCTEOSA-N 413.909 3.919 0 1 HHAF C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)C=C(C)C)CC[C@H]1C)[C@@H]2OC(=O)C(C)C 14407469 DOZBNAYGGAIJEJ-SPVITWBVSA-N 418.530 3.988 0 1 HHAF biogenic O=S(=O)(c1ccccc1)C1CN(Cc2ccccc2)CCN(Cc2ccccc2)C1 19365218 SZDFOTCYTLGZIY-UHFFFAOYSA-N 420.578 3.847 0 1 HHAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl 28825946 VGXCGVFXXLXIIY-UHFFFAOYSA-N 401.982 3.691 0 1 HHAF N=C(NO)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 40893661 JXKVEFPPSTUJRC-UHFFFAOYSA-N 409.833 3.544 0 1 HHAF CCn1c2ccccc2c2cc(CCC[C@H](P(=O)(O)O)S(=O)(=O)O)ccc21 40915104 ZZMVEURNXXVJQQ-GOSISDBHSA-N 411.416 3.529 0 1 HHAF in-vitro COc1cc2ncn(-c3cc(OCc4ccsc4)c(C(N)=O)s3)c2cc1OC 40935703 FSKPWMXAGUNAEU-UHFFFAOYSA-N 415.496 3.844 0 1 HHAF CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO 95878782 CQFOTEJANFUFPP-ZTCOLXNVSA-N 424.516 3.620 0 1 HHAF CS(=O)(=O)N(Cc1ccccc1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403188 GJFPOKRDCKMHQY-PIPMEXSNSA-N 422.541 3.855 0 1 HHAF O=C(N1CCC[C@@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1)C(F)(F)F 118622341 UCHAXPSQCWMIER-CQSZACIVSA-N 401.392 3.802 0 1 HHAF COc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@]314 169290808 RBQKCFLDNBVADS-NQUAJUJASA-N 417.549 3.992 0 1 HHAF O=C(O)c1cccc(-c2ccc3ncc(C(=O)Nc4nc5ccccc5s4)n3c2)n1 169349187 FDVHXKFUFLDKAR-UHFFFAOYSA-N 415.434 3.957 0 1 HHAF CN1O[C@@]2(N=C1N)c1cc(-c3cccnn3)ccc1CC21CCc2ccccc2CC1 201269181 MXFAQZDMAKROOV-VWLOTQADSA-N 411.509 3.610 0 1 HHAF Cc1ccccc1COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 220169678 LRJXFCQOLQBJHW-NRFANRHFSA-N 418.493 3.912 0 1 HHAF COCOc1c(Br)ccc2oc(-c3cn4nc(OC)sc4n3)cc12 223065426 DBUCIDGJBZWAPO-UHFFFAOYSA-N 410.249 3.958 0 1 HHAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@@H]2c1ccc(Br)cc1 299872462 AAROUFDRHLFPRV-MDNXKNQGSA-N 405.336 3.720 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299883152 QVXCJJIRAHDKQA-LUBSMZHTSA-N 408.498 3.597 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3ncccc3c2[nH]1 586936924 OFDBNMRZUFTIFK-SFHVURJKSA-N 412.540 3.884 0 1 HHAF CC1=C(c2ccc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3c2)NNC(=O)C1 587006238 BIODUAJNHKUKQG-UHFFFAOYSA-N 423.274 3.624 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 587183033 ULWJCJRQQAGLEE-ZETCQYMHSA-N 421.164 3.696 0 1 HHAF O=C(N[C@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 587219672 PHEPFJFYNYVLKY-OAHLLOKOSA-N 408.259 3.586 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CO)OC=C1OCc1ccccc1Cl)O2 587378608 OREDIPBRWOUTMO-JOCHJYFZSA-N 413.857 3.899 0 1 HHAF CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN1CCOCC1 587443189 LJKFOJJAUZIQJD-NLFFAJNJSA-N 423.509 3.589 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 587744143 GGXRDIOWBAUKOR-PWJLMRLQSA-N 406.255 3.944 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COC(=O)c2ccccc2N)N1 587750098 RKQQWSSYJQFAKS-WLRWDXFRSA-N 407.283 3.777 0 1 HHAF C[C@H]1CN(C[C@@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587759562 GKKOFMITECBEJG-VOMKJEOTSA-N 411.359 3.839 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCN(C)CC2)N1 587767181 QUDUDMLVNHTNQY-QKKBWIMNSA-N 418.354 3.964 0 1 HHAF Fc1ccc(OCc2cc(OCC3COC3)nc(-c3ccccn3)n2)c(F)c1F 653794085 IXYZCBCHQYATCI-UHFFFAOYSA-N 403.360 3.560 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(Cn3cccn3)cc2)N1 962699544 PAMOSPHJEIPJIE-RBUKOAKNSA-N 419.378 3.778 0 1 HHAF Cc1ccn2ccnc2c1N1CCCN(C[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 1772596876 QQGXSPRGOJREHA-OAQYLSRUSA-N 423.605 3.584 0 1 HHAF CCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1 1772613702 KWNWATIFBIPUJA-UHFFFAOYSA-N 415.453 3.989 0 1 HHAF Cn1nc(COc2cc(F)cc(F)c2)c2c1CCN(C(=O)NC1CCCCC1)C2 1857614455 VADTWBSDMRYZSG-UHFFFAOYSA-N 404.461 3.678 0 1 HHAF O=c1/c(=C\c2ccc(Cl)cc2Cl)sc2n1CN(c1ccc(Cl)cc1)CN=2 1857614661 BHYMUWONDQVUGQ-FRKPEAEDSA-N 424.740 3.754 0 1 HHAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1Cl 1857635942 NEBHIPLKPOIRRH-UHFFFAOYSA-N 414.914 3.749 0 1 HHAF O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@H](NCc3ccccc3)CO[C@@H]12 2356857505 SJHOCHXYZAQPGS-ODAXIHTASA-N 404.466 3.713 0 1 HHAF COc1ccc([C@H](NC(=O)c2ccc(=O)[nH]c2)C(=O)Nc2ccc(C(C)C)cc2)cc1 13521250 XSBKTCYOTIIKMM-QFIPXVFZSA-N 419.481 3.617 0 3 HHAF NC(=O)c1cn(-c2ccc(Br)cc2)c2cc(-c3ccncc3)ccc2c1=O 29331841 FEIAFQOONLAUSZ-UHFFFAOYSA-N 420.266 3.914 0 1 HHAF CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C)nc4C)n3)cc2)CC1 34105115 WMIWANZLOJYLPU-UHFFFAOYSA-N 408.531 3.629 0 1 HHAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OC(F)(F)F)ccc32)c1 42879050 QYUUMKDAZNZMPB-KRWDZBQOSA-N 407.344 3.971 0 1 HHAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(OC)c1 45211199 WONRPDPFXYVGSU-FZKQIMNGSA-N 411.420 3.755 0 1 HHAF O=C(O)COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 72108779 HGOOOJAHOUQCDO-UHFFFAOYSA-N 401.418 3.736 0 1 HHAF C[C@@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O 72177807 UVVHDKAZCOOGPE-PBHICJAKSA-N 410.264 3.729 0 1 HHAF COc1cc2nc(N3CCN(C)CC3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82125775 RCCVEMOYEIQKBL-QGZVFWFLSA-N 421.545 3.614 0 1 HHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C1=CC=CN(C(=O)Oc2ccccc2)C1 100050469 BDKARICMNGPTGI-QOJBNDRUSA-N 424.453 3.895 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5cccnc45)ccc31)[C@@H]1CC[C@@H](C2)N1 100632931 XDUOMJSWMCAUDX-YJBOKZPZSA-N 403.507 3.909 0 1 HHAF Cc1cc(O)n2nc(CN(C(=O)c3ccc(F)cc3)c3ccc(Cl)cc3)nc2n1 103643819 RUMLUUIRJJICBK-UHFFFAOYSA-N 411.824 3.778 0 1 HHAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 142007437 PEBVIFGQEKFTBE-IBGZPJMESA-N 420.538 3.618 0 1 HHAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(N3CCN(C)CC3)cc2)n1 203003254 JOTUZUOLGPUKBW-UHFFFAOYSA-N 404.522 3.625 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299883153 QVXCJJIRAHDKQA-SQXWHWBNSA-N 408.498 3.597 0 1 HHAF O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(Cl)c2[nH]1 587000794 VPTIIBUSOJZFRQ-UHFFFAOYSA-N 406.667 3.947 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587086156 UZVXGEVXQMOZBK-UHFFFAOYSA-N 404.923 3.770 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C(F)(F)C1 587132836 VPUVPDXTAWSDCU-MRVPVSSYSA-N 403.332 3.854 0 1 HHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587199050 XUJIOPFKFUVGKJ-UHFFFAOYSA-N 405.462 3.885 0 1 HHAF C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514978 ZEZUZQOZJIXCLT-IVCQMTBJSA-N 421.493 3.796 0 1 HHAF CCOc1ccc(-c2nn(C(=O)NCC3CC3)c(=O)c3ccccc23)cc1OCC 587668855 GZQMKOFOXJCGDZ-UHFFFAOYSA-N 407.470 3.829 0 1 HHAF CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(Br)c(OC)cc1OC 621472584 YBGSBEKTFQRPBX-RHIYTYFCSA-N 415.309 3.663 0 1 HHAF O=C(c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1)N1CCOCC1 653775397 HKKOOLZGVOPUMZ-UHFFFAOYSA-N 411.412 3.714 0 1 HHAF COc1ccc2c(c1)[C@]1(C(C(=O)O)=CN(C)c3ccc(OC)cc31)N(C(C)C)CC2 962086806 DANIQJCTXPURJD-DEOSSOPVSA-N 408.498 3.632 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(N4CCCC4)nc3F)N12 962645943 SGQNFWKUPIKHAY-RDPSFJRHSA-N 420.488 3.557 0 1 HHAF CCOC(=O)[C@@]1(CC(=O)c2ccco2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722137 ZAQPUFURNREQTG-IVZQSRNASA-N 417.502 3.814 0 1 HHAF COc1cc(Br)cc2c1OCC([C@@H]1NCCc3nc4ccccn4c31)=C2 962985697 QVCVLQLHFFVAAF-SFHVURJKSA-N 412.287 3.768 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)NCCc2cc3cccc(OC)c3nc21 963062145 ZZMIMJGIGTWPAZ-DEOSSOPVSA-N 410.514 3.687 0 1 HHAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3Cc3cccnc3)Oc3ccccc32)cc1 2356299057 UONFGQQHCOGIOW-JTHBVZDNSA-N 415.493 3.659 0 1 HHAF O=C(NC1CCCCC1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CC2CCCCC2)nn1 2356867266 WPUDFUAUUBHEJK-AJSBUHFISA-N 413.610 3.560 0 1 HHAF COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 605841 XVRBDAQPJMZOLI-UHFFFAOYSA-N 413.949 3.840 0 1 HHAF O=C(NC1CCCCC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298902 WPUDFUAUUBHEJK-PMOQBDJRSA-N 413.610 3.560 0 1 HHAF biogenic COCC[C@@H]1CCCCN1Cc1nc(N2CCCC2)c2cc(OC)c(OC)cc2n1 12020714 CJIGLQKDISECFD-KRWDZBQOSA-N 414.550 3.638 0 1 HHAF CC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)nn1 28655327 ZKHXDULTCHZFJW-UHFFFAOYSA-N 404.461 3.579 0 1 HHAF CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 28951779 LRUKBEHTGXFIJS-UHFFFAOYSA-N 413.384 3.704 0 1 HHAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1cc(Cl)c(Cl)cc1Cl 39973403 JYPZSUJZWGSLFC-UHFFFAOYSA-N 404.666 3.628 0 1 HHAF CCn1c2ccccc2c2cc(CCC[C@@H](P(=O)(O)O)S(=O)(=O)O)ccc21 40915102 ZZMVEURNXXVJQQ-SFHVURJKSA-N 411.416 3.529 0 1 HHAF in-vitro O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 52969539 YIKBIQNMYTVXBG-UHFFFAOYSA-N 423.479 3.537 0 1 HHAF Cc1c2c(n3c1CCCNCC(C)(C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71330554 MVCUNJZCOUMLGB-UHFFFAOYSA-N 422.573 3.766 0 1 HHAF CC(C)CNc1ncnc2c1nc(C(C)C)n2CCCCOC(=O)C(F)(F)F 82178138 MRFPLKHYVQDYAV-UHFFFAOYSA-N 401.433 3.903 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(N4CCCC4)c31)[C@H]1CC[C@H](C2)N1 100633177 OFSIIVMOOSZYDQ-OXQOHEQNSA-N 421.566 3.961 0 1 HHAF O=C(Nc1ccc(O[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1)N1Cc2ccncc2C1 166408164 FJPUKRFFWAIXJV-JOCHJYFZSA-N 420.513 3.799 0 1 HHAF O=C(C[C@H]1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21)NCc1ccco1 169325633 WXUASMCUCJXLCA-AWEZNQCLSA-N 401.825 3.532 0 1 HHAF O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)CN1 169706964 KHMAGJUWQPMEFW-CQSZACIVSA-N 414.387 3.633 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2 199682209 RDDVYKBDIYAHDT-PKTZIBPZSA-N 400.588 3.548 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@H]2CCCC[C@@H]21 586962525 XNYWQQZPSJMZGX-CZAAIQMYSA-N 411.527 3.750 0 1 HHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(C[C@@H]1CCCCO1)C(=O)C3 587105260 VJPKPGNCQMTQAW-INIZCTEOSA-N 412.489 3.943 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116050 LLOPBKYTGPRTNV-UHFFFAOYSA-N 406.389 3.986 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)c(OC)c1O)[C@@H](C2)C3=O 587411161 BYAIKUZZQAHNLD-BTDLBPIBSA-N 421.243 3.669 0 1 HHAF CC(=O)N1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587512798 FLJZFAOVDJVJQS-DEOSSOPVSA-N 404.510 3.940 0 1 HHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCOc1ccccc1C(N)=O 587622395 AQGANQYFAVHDBO-UHFFFAOYSA-N 413.275 3.836 0 1 HHAF COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811934 XXUNEZBHBNEVAL-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587830626 VOZNVUKXPAABKC-ODXCJYRJSA-N 420.278 3.984 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587834930 NKKAHHQEEJTYSN-WYRIXSBYSA-N 412.299 3.964 0 1 HHAF CCOC(=O)C1=C(C)N2CC/C(=C\c3ccc(Br)cc3)C(=O)N=C2S1 653698619 MRBMMXDEGGUBNP-JLHYYAGUSA-N 421.316 3.962 0 1 HHAF COC(=O)c1cc([C@@]2(CC(C)C)NCCc3cc4cccc(OC)c4nc32)cn1C 963054697 JFABQNCOEFAKRV-XMMPIXPASA-N 407.514 3.804 0 1 HHAF Cc1noc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1C 1857647195 MMKJEKZBEMVUIN-UHFFFAOYSA-N 415.467 3.704 0 1 HHAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 1857745647 BVVGUKAIBXOFMZ-UHFFFAOYSA-N 414.914 3.749 0 1 HHAF CC(C)(C)OC(=O)N[C@@]1(C(F)(F)C(=O)c2ccccc2)C(=O)Nc2ccccc21 1911575504 UQDONFDXOXZULF-HXUWFJFHSA-N 402.397 3.877 0 1 HHAF COc1ccc2nc(CO[C@H]3CN(Cc4cn(C)c5ccccc45)C[C@@H]3F)[nH]c2c1 2356299932 QTWWQCCDBRESBK-AVRDEDQJSA-N 408.477 3.802 0 1 HHAF CC1=C[C@H](CNC(=O)c2ccncc2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356308265 GWVCPIVYTUJIEL-QZNHQXDQSA-N 420.557 3.768 0 1 HHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](OC(C)=O)[C@@H]1CC=CCCCC(=O)OC 2356313371 WWTWMOCEEXXBQA-ITBHCLRTSA-N 410.551 3.702 0 1 HHAF COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@@H]2[C@H](C)OC=C(OC(C)=O)[C@@H]2C[C@@H]31 2356542501 UBSFKTQYTDJRIZ-CLOTWAHHSA-N 412.486 3.544 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356696679 LGWDBNNCYKGKFM-XYKJXYOWSA-N 420.590 3.745 0 1 HHAF CC(=O)CC(C)(C)NC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 5601909 LGWKYQYCAUNLCR-HGBFTFLOSA-N 415.574 3.733 0 1 HHAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@@H](C)C(=O)NCc1ccc(F)cc1 6916579 SWZODMHDJSMLER-INIZCTEOSA-N 418.472 3.727 0 1 HHAF CCN(CC)CCCCn1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21 7991839 NBVSBGTZEMUPQV-UHFFFAOYSA-N 410.566 3.982 0 1 HHAF CCn1c(=O)c2sccc2n2c(CCC(=O)Nc3ccc(C(C)C)cc3)nnc12 8830862 FGYUVPVKBUYLQP-UHFFFAOYSA-N 409.515 3.820 0 1 HHAF O=C(NCC1CCN(Cc2ccccc2)CC1)c1cn(Cc2cccc(Cl)c2)nn1 12431592 LMMXCOUUSOBOAF-UHFFFAOYSA-N 423.948 3.622 0 1 HHAF CC(=O)N(C)CCc1cn(-c2c(O)ccc3[nH]cc(CCN(C)C)c23)c2ccccc12 13373329 LJMCWVGWPLWEQP-UHFFFAOYSA-N 418.541 3.942 0 1 HHAF biogenic COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)CN1CCCCC1)CC2 35034038 FBPNTMZGTOFESD-DEOSSOPVSA-N 412.505 3.803 0 1 HHAF CS(=O)(=O)NC(=O)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 95572430 NSPVFFZZDPHABN-AWEZNQCLSA-N 412.945 3.859 0 1 HHAF CCc1c(C(=O)NCc2ccncc2)cnn1-c1ncc(C)c(-c2cccs2)n1 96273288 IBQGXBNVHOFNBQ-UHFFFAOYSA-N 404.499 3.587 0 1 HHAF Cc1cc(C2CCN(C(=O)c3ccccc3)CC2)n(-c2ccc(S(C)(=O)=O)cc2)n1 96934839 HTFWXZRDIPMPDF-UHFFFAOYSA-N 423.538 3.604 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(c3cccc(F)c3)C2)n1C 101636084 JEBLLBOUXXZBPR-IIBYNOLFSA-N 413.522 3.673 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713495 ZMAIFLOHRXCDQS-UPWGAOJZSA-N 418.622 3.959 0 1 HHAF CCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCCc2ccccc2)c(OC)c1 169729873 AYKYFDQJWBDOAU-SFTDATJTSA-N 410.470 3.721 0 1 HHAF COC(=O)[C@H]1[C@H](c2ccccc2)C[C@H]2CC[C@H]1N2C/C=C/I 195332152 CZPZQMXAJDWBFP-QUWPWCIOSA-N 411.283 3.745 0 1 HHAF Cc1ccc(C(=O)N2CC[C@H]2c2nc(-c3cccc(F)c3C)no2)c(-n2nccn2)c1 218137964 FXCHFTLQCHKYDZ-SFHVURJKSA-N 418.432 3.660 0 1 HHAF CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H]1CCC[C@H]2N1CCCC1 299825885 CQXHKVAZLJKFTQ-QKNQBKEWSA-N 410.389 3.695 0 1 HHAF CNC(=O)c1ccc(F)cc1Nc1cc(NC2CCOCC2)ncc1C(F)(F)F 474610059 ZPZUBNVYVTYUSH-UHFFFAOYSA-N 412.387 3.934 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895605 PFGWVRWOIHQFCI-UHFFFAOYSA-N 409.467 3.532 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(F)cnc3[nH]1)C(=O)OC2 586915810 RSLWABXUCCXPIV-WCIBSUBMSA-N 411.433 3.912 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 586945139 YIOLULWPKIBOJE-UHFFFAOYSA-N 418.700 3.596 0 1 HHAF COC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 586985234 LYHAHPPSOYIWRD-INIZCTEOSA-N 416.275 3.532 0 1 HHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 587052705 IVVNNSPWTFFUKT-SECBINFHSA-N 402.079 3.975 0 1 HHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)no2)n1 587119383 WPCBHRKTMZWGJC-UHFFFAOYSA-N 405.336 3.643 0 1 HHAF O=C(O)c1ccc(-c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)ccc2F)cc1F 587139032 ZZKDCVJGRCAQPM-UHFFFAOYSA-N 418.363 3.849 0 1 HHAF OCc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 587157960 QTNHKFPHOHJFIB-UHFFFAOYSA-N 417.238 3.792 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)c1ccc(N)cc1)(c1ccccc1)O2 587391521 UVUBSPJEBVCOTA-XMMPIXPASA-N 402.450 3.877 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1Br)OCCO4)[C@@H](C2)C3=O 587416635 DROZUCULEDSCKU-RBZFPXEDSA-N 417.255 3.892 0 1 HHAF CCn1ncc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587584264 ZEMVDRWWJKWDHE-UTSWGJQUSA-N 419.481 3.849 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 587598068 WBPWBEOXIVGAAF-SEJUOIIXSA-N 423.465 3.979 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3s2)(C(O)O)N1 587858040 OFVUSXPZPKGFIR-APBUJDDRSA-N 422.319 3.891 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@H]1C(C)(C)Br 963139971 IXCCLWGTUXYIQS-MWLCHTKSSA-N 405.314 3.604 0 1 HHAF COc1cc(Br)cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239640 XWAPVERYTAIDJV-RBUKOAKNSA-N 413.271 3.694 0 1 HHAF CN1CCOc2c1cnn1c(-c3ccc4ccnc(NC5CCCCC5)c4c3)nnc21 1857581648 JVSVOIZZHBUDNG-UHFFFAOYSA-N 415.501 3.913 0 1 HHAF COc1ccc(CCOC(=O)N(c2ccccc2)[C@H]2CN3CCC2CC3)cc1OC 1857611287 JEUYGMLCHUFKRY-NRFANRHFSA-N 410.514 3.984 0 1 HHAF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)ccc2O1 1857764500 NTBPSTFMOZSJTB-UHFFFAOYSA-N 419.572 3.982 0 1 HHAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289258 RYOZJKHJIXBTMY-SLSDLSHTSA-N 406.526 3.700 0 1 HHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)[C@H](OC(C)=O)C[C@H]1O 2356313373 WWTWMOCEEXXBQA-RTOMLYRKSA-N 410.551 3.702 0 1 HHAF Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNCc2ccc(CO)o2)n1 2356818945 DXSLIRZXXRNJST-JTAQYXEDSA-N 418.541 3.505 0 1 HHAF CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4cc[nH]c4c3)n2)c1 3817473 RYGAAHQWLFHKPP-UHFFFAOYSA-N 406.421 3.709 0 1 HHAF Cc1c(F)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12 13641551 JAZAOFQFCQAIQC-UHFFFAOYSA-N 422.508 3.507 0 1 HHAF COc1cc(-c2ccc3c(c2)Nc2cc(CC(=O)N(C)C)ccc2NC3=O)ccc1N 28710758 IOEYFAWMWVZAOZ-UHFFFAOYSA-N 416.481 3.884 0 1 HHAF Cn1cc(C2=C(c3cn([C@@H]4CCCNC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 29125399 FHGAKABCWGURMG-MRXNPFEDSA-N 424.504 3.625 0 1 HHAF CNC(=O)c1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2ccc(C)cc2)ccn1 29134092 ZVVSVJWTXJEMLP-UHFFFAOYSA-N 418.453 3.973 0 1 HHAF N=C(N)c1ccc(OCCOc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)cc1 33902443 MQPVKRHCTICJRV-UHFFFAOYSA-N 413.481 3.861 0 1 HHAF CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CCC3)n2)cc1 43076133 LEWVUPUKJSFGLR-UHFFFAOYSA-N 409.519 3.962 0 1 HHAF Cc1cc(Br)ccc1NC(=S)OCCN1C(=O)c2ccccc2C1=O 45484369 QHXDSDXAEUOKMX-UHFFFAOYSA-N 419.300 3.767 0 1 HHAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C 82132674 DPHVDRLUMYWWFV-LMQGHGSNSA-N 420.557 3.781 0 1 HHAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2CC1CC1 95794332 MMVJOWJTRVCHLX-LADGPHEKSA-N 408.517 3.654 0 1 HHAF CCOC(=O)C1=CC[C@@H]2c3c(c4ccccc4n3C)C(=O)[C@@H]1N2C(=O)OC(C)(C)C 102374565 NVHMRQFLOHDZIF-SJLPKXTDSA-N 410.470 3.915 0 1 HHAF C/C(=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O)CNc1ccccc1 150165971 HODAIPJPJAZJEY-REXKXQMVSA-N 405.324 3.998 0 1 HHAF in-vitro CN(C)C(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042481 KUVDSTSWYBFEKG-MRXNPFEDSA-N 400.891 3.574 0 1 HHAF COC(=O)c1cc(Br)c(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377917 QHDBVLPAQWZUIQ-HNNXBMFYSA-N 406.232 3.538 0 1 HHAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O 587597169 UDMSSCAVRVSTHR-AUSIDOKSSA-N 422.389 3.567 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)n2C)N1 587685926 USILIYZUMBTPHA-UHLUBPPHSA-N 403.093 3.708 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782901 RZKWLDJLCDHUOJ-UHFFFAOYSA-N 423.494 3.765 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587858862 UXIHEEWMFUKQRO-PGQWDYDZSA-N 402.329 3.634 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962695059 CRKAPRMDPNIOPH-GAJHUEQPSA-N 413.514 3.785 0 1 HHAF Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c12 1772628935 HRMLEQJJPWCSFH-ZDUSSCGKSA-N 417.510 3.906 0 1 HHAF O=C(CCc1ccccc1Cl)N1CCN(Cc2ccc(O)c3ncccc23)CC1 1857755750 KVWCKPHSPHBDCS-UHFFFAOYSA-N 409.917 3.871 0 1 HHAF CC(=O)O[C@@H]1C[C@]2(C)c3cc4occc4c(C)c3CC[C@]2(O)C(C)(C)[C@H]1OC(C)=O 2356571296 NSAZUFNXZWNEIG-JSRBNTPPSA-N 414.498 3.970 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOCCO 4212711 KQIJICFTOGDRGS-FCHUYYIVSA-N 404.551 3.949 0 1 HHAF CCc1cc(S(=O)(=O)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887502 PUZKWXILSRLVLO-UHFFFAOYSA-N 401.271 3.668 0 1 HHAF CC(C)c1ccc(O[C@@](C)(Cc2ccc(Cl)cc2)C(=O)NS(C)(=O)=O)cc1 13604869 JASWYWUWIJWMPK-FQEVSTJZSA-N 409.935 3.919 0 1 HHAF CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@]12C 14884262 VVJWDPJDEOTQOZ-CBJLPSGESA-N 414.498 3.970 0 1 HHAF biogenic CC(C)O[C@@H](Cc1ccc(OCCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O 26404908 CCIAKLNNTHBVOZ-IBGZPJMESA-N 414.433 3.918 0 1 HHAF CCN(CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1 27716747 ZKUVGNZHMNBDJW-UHFFFAOYSA-N 423.966 3.700 0 1 HHAF Nc1cccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@@H]5C4)ncnc3o2)c1 28113593 OCNIDFGKJBFLQG-AZUAARDMSA-N 412.497 3.578 0 1 HHAF CCOC(=O)CCCCCO[C@@H](COCc1ccc(OC)cc1)Cn1ccnc1 29484355 HHSHWHNTZZRHFL-OAQYLSRUSA-N 404.507 3.617 0 1 HHAF CC(C)(C)CC(=O)OC[C@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40860532 HXJZMTIMEUCABI-YXZIBZLCSA-N 400.393 3.746 0 1 HHAF CC(C)NC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 59114537 JNCFRSSGRSZAKC-UHFFFAOYSA-N 405.542 3.586 0 1 HHAF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1 62233014 RLQUSJKLICEKBP-UHFFFAOYSA-N 424.549 3.538 0 1 HHAF O=C(Cc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72101468 KCENBHVQEWNGQK-QHCPKHFHSA-N 406.917 3.606 0 1 HHAF CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085602 NXCXNDUMXKIKKD-GOSISDBHSA-N 417.531 3.851 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@@H](C(=O)Nc2cccc3cccnc23)CC1 101472702 CSNYIKOIPYUMPR-AQKQGEKGSA-N 417.509 3.763 0 1 HHAF O=C(O)CCCCNC(=O)c1ncc2cc(Oc3c(F)cccc3F)ccc2c1O 146723075 ORJNCLZDFNJMRS-UHFFFAOYSA-N 416.380 3.996 0 1 HHAF Clc1c(CNc2nccc(Nc3cc([C@H]4CCCO4)[nH]n3)n2)ccc2[nH]cnc12 220656867 HQXOLFDJJIERLJ-CQSZACIVSA-N 410.869 3.937 0 1 HHAF NS(=O)(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151838 UOEWEVDJRMYMOR-LJQANCHMSA-N 415.421 3.657 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4cc(Br)cnc4[nH]3)c2Cl)c1 587162180 UGCNXTYCHGVFQM-UHFFFAOYSA-N 407.634 3.820 0 1 HHAF CCOC(=O)[C@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587382891 VJQCMAQDOHZJEH-LJQANCHMSA-N 422.250 3.903 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncncc2Br)N1 587680298 PFLXRVGEUIRDAS-AYVTZFPOSA-N 415.104 3.938 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 587741654 HWKQOMAZOHWTFJ-YRILPIOLSA-N 421.314 3.593 0 1 HHAF Cc1cc(C)c([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587825127 FVFQQLMOJYJVPR-XCLFUZPHSA-N 408.311 3.602 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](C[C@H]1CC[C@@H]([C@H]3NC(=O)OC3(C)C)CC1)NCC2 962934163 VHAXKRGNOLXXHJ-ZHFAOOELSA-N 413.562 3.659 0 1 HHAF C[C@H](NC(=O)CO)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](F)C2)cc1 1772593255 YNHWPGFNENGLCL-HJPURHCSSA-N 412.505 3.671 0 1 HHAF O=C(Nc1cc2[nH]nc(OC3CCOCC3)c2cn1)N[C@H]1CCCOc2ccccc21 1772601975 QDEXDXWJMTVBRY-KRWDZBQOSA-N 423.473 3.551 0 1 HHAF COC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](O)C2)cc1 1772633771 ZDVPOFWZSWKBAW-QMHKHESXSA-N 410.514 3.942 0 1 HHAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncnc3)cc2NC(=N)C1 1772643955 JGUYYUOMKQVFHT-UHFFFAOYSA-N 406.490 3.554 0 1 HHAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccc6c(c5)CCC6)cc4)c12)CCC3 1857598431 CJTLFPSHHWKHES-UHFFFAOYSA-N 423.520 3.992 0 1 HHAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 1857601360 HVCLJLFYVDNOAP-YRNRMSPPSA-N 406.419 3.590 0 1 HHAF CCOC(=O)N1CCC2(CC(N3C[C@@H]4[C@H](c5nccn5-c5ccccc5)[C@@H]4C3)C2)C1 1857609365 BHYVFGZLOZEIHN-FFXUDUMNSA-N 406.530 3.529 0 1 HHAF COCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1ccc(F)cc1Cl 1857631622 JRHVVSKZHKPPLT-MRXNPFEDSA-N 421.881 3.934 0 1 HHAF COc1ccc2oc(C(=O)OCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1 1857772378 RRMUDFYHNZUTFN-UHFFFAOYSA-N 407.466 3.871 0 1 HHAF F[C@@H]1CN(Cc2nccs2)C[C@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 2356682623 YMHXFEHMGFWWSM-BXUZGUMPSA-N 400.401 3.777 0 1 HHAF COc1cc(C(=O)NCCC2=CCCCC2)ccc1OC1CCN(C(C)=O)CC1 14950186 MFGFWXQULGDWBY-UHFFFAOYSA-N 400.519 3.705 0 3 HHAF C[C@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042277 YLJQQIKFYUXOEG-QBMUGXQSSA-N 410.967 3.578 0 3 HHAF CCN(CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 4909627 KMEZOVJMUCBDTD-DHIUTWEWSA-N 418.541 3.536 0 1 HHAF CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)Nc1cccc(O)c1 5434181 ZWZNLUGLEWPUDI-GJZGRUSLSA-N 401.894 3.958 0 1 HHAF biogenic CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2COCCOC)c1C 26005869 LLHQVBGILNZHPS-MUUNZHRXSA-N 419.572 3.780 0 1 HHAF COc1ccc(CNc2nc(N[C@@H]3CCCC[C@H]3O)nc3c2ncn3C(C)C)cc1 26649043 XSZUUWVULVZGON-QZTJIDSGSA-N 410.522 3.743 0 1 HHAF CCCCC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 26951205 WFDKLRYVPBVLDQ-AABGKKOBSA-N 411.546 3.856 0 1 HHAF O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C[C@@H]2COc3cc(F)ccc3O2)CC1 27900615 YEDMDLSFCUTXMD-MRXNPFEDSA-N 417.868 3.599 0 1 HHAF CCc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1 40933849 ZIZUVCJZQRUYKZ-UHFFFAOYSA-N 424.468 3.670 0 1 HHAF O=C(Nc1ccnc(N2C[C@H]3C[C@@H]2CN3Cc2cccc(O)c2)c1)c1ccc(F)cc1 45190931 ZJGGDNSSIBKUOU-NHCUHLMSSA-N 418.472 3.642 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 45256497 GHWICCMCRSKETJ-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF Cc1cc(C)c(C2=NO[C@@H](Cn3cnc4c(N5CCCCC5)ncnc43)C2)c(C)c1 49015733 FFBNKDKGKJHHMM-GOSISDBHSA-N 404.518 3.935 0 1 HHAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CNC[C@H]1c1ccc(Cl)cc1 49785528 XBFAFSAUQFDEOK-HOTGVXAUSA-N 402.281 3.777 0 1 HHAF N#Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 60809965 FONCYYKLQFKAHO-UFWORHAWSA-N 423.064 3.553 0 1 HHAF Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 62233436 MTSXSLBBGOLTLZ-UHFFFAOYSA-N 410.836 3.901 0 1 HHAF C[C@@H](C(=O)NC/C=C/c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73221770 KQYXUQFLEXRBOR-ITDFMYJTSA-N 410.898 3.784 0 1 HHAF O=C(OCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@H](C2)N1S(=O)(=O)Cc1ccccc1 100900128 DHPUHTCQTDVDKE-VSKRKVRLSA-N 413.539 3.545 0 1 HHAF CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 137492169 QALAJPXBDGLKOQ-NSHDSACASA-N 418.954 3.626 0 1 HHAF O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)N1Cc2ccccc2C1 166859187 GJKVNSQSTPYSAH-UHFFFAOYSA-N 416.481 3.790 0 1 HHAF NC(=O)c1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2F)c1 169330397 AUULRYPAYPTJFJ-UHFFFAOYSA-N 407.449 3.643 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Oc3ccccc3OC)cc2)C1=O 207742861 DBLGDXDTJCPFKZ-UHFFFAOYSA-N 404.488 3.505 0 1 HHAF CCCNc1ncc(Cl)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261176285 UXLOUELGYSNXPN-KBXCAEBGSA-N 417.941 3.807 0 1 HHAF CCOC(=O)c1cc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)ccc2o1 299821080 JSNZETUOEWUPEI-UHFFFAOYSA-N 407.470 3.641 0 1 HHAF CSc1sc(-c2nc3ccnc(O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919549 ABQMNRRWBUBPSB-UHFFFAOYSA-N 403.938 3.949 0 1 HHAF COc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1OC 587113572 PYVOUBUTKYNVRM-IBGZPJMESA-N 407.392 3.999 0 1 HHAF Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 587184725 UZSNAKBISQHAGU-LLVKDONJSA-N 412.662 3.767 0 1 HHAF COC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355476 XTATVWGNFZYCIQ-XXBNENTESA-N 414.429 3.807 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccc(Br)n1)O2 587371454 FNQKVMWMICGKTD-IHHMQQGQSA-N 402.292 3.671 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cnc(N)c(C(=O)O)c4)cc1)[C@@H](C2)C3=O 587434038 PHYJSTAHQPYNLG-HRAATJIYSA-N 402.406 3.526 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587490610 YYYFBXOGKTUZHT-XZOQPEGZSA-N 417.502 3.849 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595357 NGWAUABJWUZTAO-NFBKMPQASA-N 422.389 3.567 0 1 HHAF COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587804250 DDWFJZVNZLGRIB-DGIBIBHMSA-N 408.267 3.878 0 1 HHAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962971171 HCTUHRYAKYIZDQ-UHBVIIIMSA-N 415.864 3.802 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(OC)c(OC(F)F)c(OC)c1 963633380 HVVUJZJISGEATG-WYRIXSBYSA-N 409.429 3.946 0 1 HHAF CC(=O)O[C@H]1[C@@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@H](C=C(C)[C@H](OC(C)=O)CC[C@]4(C)OC[C@@H]2C)[C@H]13 2356825237 HQXPXVYAHKHRLK-HAELEQKUSA-N 420.546 3.671 0 1 HHAF C[C@@](CCCCC(=O)O)(NCCc1ccc(O)cc1)c1nnnn1C1CCCCC1 205857529 OFKLFBFDDAEVBR-QFIPXVFZSA-N 415.538 3.576 0 3 HHAF Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2cccs2)c1C(N)=O 4087359 VQLSKZWJJXFEEG-UHFFFAOYSA-N 400.481 3.789 0 1 HHAF CC(C)c1c(C(=O)NCc2cccnc2)cnn1-c1nccc(-c2ccccc2F)n1 12078725 AYXHVXCSGBDJPA-UHFFFAOYSA-N 416.460 3.917 0 1 HHAF CCCNC(=O)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)OCC)c2)C[C@H]1CC 25430045 UXTIDJUKPYZWBN-SJORKVTESA-N 403.523 3.660 0 1 HHAF biogenic CCc1c(C(=O)C(N)=O)c2c(SCCCC(=O)O)cccc2n1Cc1ccccc1 27560352 JOHPMEBCRKBHDY-UHFFFAOYSA-N 424.522 3.877 0 1 HHAF CN1C(=O)[C@H](NC(=O)c2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 27639094 GNEVDYXFVINBSM-QHCPKHFHSA-N 408.461 3.738 0 1 HHAF COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1OC 28388788 FVWXZOSVEOUFJP-UHFFFAOYSA-N 405.422 3.963 0 1 HHAF O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1 28866861 PWICXUFZUYFPEW-IBGZPJMESA-N 419.312 3.664 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cc(NCC3CCNCC3)ccc12 35285424 IITNEJZCGHGXOK-UHFFFAOYSA-N 420.538 3.960 0 1 HHAF CO[C@H]1OC(=O)C[C@@]12CC[C@@]1(O2)[C@H](C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C 45370828 GCQMZZDJVNUQJV-WDYVTMJNSA-N 408.535 3.998 0 1 HHAF COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2C)ccc1OC(C)=O 59230294 SWIPHJJVORBKQV-WYRIXSBYSA-N 412.394 3.637 0 1 HHAF biogenic C[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1 73240721 OFYSUSJBNSNQTH-KRWDZBQOSA-N 405.502 3.579 0 1 HHAF O=C(C1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95878636 MWKSBEGZIHONLC-PMOQBDJRSA-N 410.489 3.595 0 1 HHAF O=C1C[C@H](c2cccc(Cl)c2)C(=O)N1CN1CCN(c2ccccc2Cl)CC1 96938051 GEUAVPONECHPTR-QGZVFWFLSA-N 418.324 3.616 0 1 HHAF Cc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(S(C)(=O)=O)cc2)cc1 98082303 BWNYGJPUEOVPHB-YADHBBJMSA-N 407.491 3.934 0 1 HHAF Oc1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)nn1Cc1ccc2c(c1)OCO2 100779526 RKUXUCQCPBPXHD-UHFFFAOYSA-N 420.343 3.704 0 1 HHAF CN(c1cnc2ccccc2n1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118875213 RAFNNHFVZYONGO-HNNXBMFYSA-N 404.445 3.802 0 1 HHAF CCOC(=O)N1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 144750778 GEJCQCIAXYESFM-HXUWFJFHSA-N 406.404 3.744 0 1 HHAF CCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C1(C(F)(F)F)CC1 146355012 RFUXNDRIFGIGHV-UHFFFAOYSA-N 419.394 3.883 0 1 HHAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 253634503 PCALQRJKBBDAFN-ISQLDUATSA-N 403.563 3.725 0 1 HHAF O=C(Nc1ccc(F)cc1Cl)c1ccn(C(=O)Nc2ccc3c(c2)OCO3)n1 473086419 HWJKZTFJZDKDQK-UHFFFAOYSA-N 402.769 3.737 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)c(F)cc2[nH]1)C(C)C 586932858 JZYODTXAQVGNGP-AWEZNQCLSA-N 406.321 3.881 0 1 HHAF CCOc1n[nH]c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1Cl 587065548 UAEZKIFOFMYEMG-UHFFFAOYSA-N 421.480 3.925 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1OCC(=O)O)O2 587378965 XWNIPTOTLHLUNO-IBGZPJMESA-N 420.259 3.684 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 587704583 JPTYKHSQZGIHEF-JDNHERCYSA-N 422.685 3.873 0 1 HHAF COc1nc(N(C)C)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587856639 YFEOKMHDWQSQLO-SDBXPKJASA-N 400.317 3.743 0 1 HHAF COC(=O)c1cc(OC)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1OC 587946012 RJELECTWNQKTBE-UHFFFAOYSA-N 423.444 3.877 0 1 HHAF CCCCCc1ccc([C@@]2(C(=O)OCC)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962891387 ANIXUMSDVWCCOZ-GBXCKJPGSA-N 413.489 3.964 0 1 HHAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CCN(C(=O)c3ccc(CN)cc3)CC2)N1 962962666 YHOPJLXYMUFKSU-LJQANCHMSA-N 402.542 3.682 0 1 HHAF C[C@@]1(c2cc(Br)cs2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228147 NIZWYLKOKRYBST-MAUKXSAKSA-N 403.301 3.921 0 1 HHAF CN1CCN(c2ccc(-c3ccc(N)cc3)cc2NC(=O)c2cccc(N)c2)CC1 1772573167 VPXJJUSYXGVJQW-UHFFFAOYSA-N 401.514 3.522 0 1 HHAF CCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 1857655860 PLXOCOKEHGXAGH-MGPUTAFESA-N 422.487 3.936 0 1 HHAF CC(=O)Nc1cccc(NC(=O)C[C@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)c1 205229777 XLVQUYSTZYYNQL-HXUWFJFHSA-N 400.866 3.667 0 3 HHAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)[C@]12O[C@H]1CCC2=O 6482637 XMCIJGUGZUPBQT-RZSDCMDHSA-N 412.526 3.931 0 1 HHAF O=C(NCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 13441908 AOLGIUMPLUIXBX-JHNUBAFKSA-N 412.555 3.591 0 1 HHAF CC[C@@H](C)C(=O)Nc1nc2c([nH]1)[C@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 14887740 IQLKTYKQMWNGPV-OLZOCXBDSA-N 406.490 3.620 0 1 HHAF biogenic OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3ccccc3F)CC2)CC1 22926626 YGGWQVBXUFRMBK-UHFFFAOYSA-N 412.505 3.502 0 1 HHAF Cc1ccc2c(=O)c(C(=O)NC(C)C)cn(-c3cccc(Br)c3)c2n1 40873610 NWSCKDCLDMCWIV-UHFFFAOYSA-N 400.276 3.595 0 1 HHAF CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2ccc3c(c2C1)C(=O)NCC3 45348482 GSAFRMKQXDFZBL-LJQANCHMSA-N 421.516 3.851 0 1 HHAF CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c(Cl)c1 71281225 ZOURFRFTYUIJKM-UHFFFAOYSA-N 424.835 3.544 0 1 HHAF C[C@@H](Oc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C)C(=O)O 73224117 SICNENCRWGUJCE-CQSZACIVSA-N 416.437 3.740 0 1 HHAF CCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OCC)c2)ccc1O 95581985 BNFWZRFOKUXUQI-ZWKOTPCHSA-N 400.471 3.773 0 1 HHAF CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(F)c(Cl)c3)nc2C)c1 96272405 WNIDKDQXDGEVAP-UHFFFAOYSA-N 421.881 3.762 0 1 HHAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)c1 100114494 FPRBUCVKILHCGL-ACHVPNTGSA-N 422.525 3.930 0 1 HHAF CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 103239234 WVXVTVISFJYJCL-CALCHBBNSA-N 401.486 3.795 0 1 HHAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(C)nn2C)cc(-c2ccc(C)cc2)c1 142624333 CDOBUTCKRFPKID-QGZVFWFLSA-N 420.513 3.721 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3CC)nn2-c2ccccc2)c1 169707216 FGTDGZQUQXYPKS-OAQYLSRUSA-N 417.513 3.844 0 1 HHAF COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@H]1[C@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 253731793 BJEDIGDSPYXOHZ-VZYYPTNQSA-N 417.590 3.713 0 1 HHAF COc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1OC 586970079 UWOOVIQQNQUTTO-UHFFFAOYSA-N 412.427 3.651 0 1 HHAF CCCc1nc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)nn1-c1ccccc1F 587156523 UOVPQEDGQNAVCM-UHFFFAOYSA-N 420.492 3.734 0 1 HHAF CC[C@@H](c1nc2cc(F)c(F)cc2[nH]1)n1cc(I)c(C)n1 587184574 CRFUJTMWIJRISL-ZDUSSCGKSA-N 402.186 3.950 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587194276 PHPODMVOJOMXKP-ZDUSSCGKSA-N 410.902 3.520 0 1 HHAF CCS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587236064 XOWJBAPFSYSRMV-HUUCEWRRSA-N 407.536 3.907 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)O2 587382303 ORZOYLKXFDEVME-SFHVURJKSA-N 413.417 3.501 0 1 HHAF COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587399821 MNTVVWOEKIFKSO-DEOSSOPVSA-N 403.434 3.723 0 1 HHAF COc1cc2c3c(c1)O[C@]1(/C(=C/c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O 587438799 QZJRYHGWYSSRHJ-BJRRXDKASA-N 403.478 3.957 0 1 HHAF CCOC(=O)C1CCN(c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587439489 UWMFJLVKLQMHKV-DVECYGJZSA-N 421.493 3.963 0 1 HHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)CC2=O 587477508 RMSARPZAMSPICC-MYYSRTQBSA-N 407.466 3.743 0 1 HHAF COc1cc(CN2CCOCC2)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587519168 VYWQVTQLYCDYTA-QFIPXVFZSA-N 423.509 3.818 0 1 HHAF O=C(O)C[C@@H]1CCc2occc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614563 CNWIUROEEFWRIA-RNXZCGPXSA-N 406.390 3.879 0 1 HHAF CCN(CC)c1ccc(-c2nn(-c3cncc(C)n3)c(=O)c3ccccc23)c(O)c1 587665473 QILYFZDQSQQNKI-UHFFFAOYSA-N 401.470 3.703 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587720840 OBZBANBXOPGKPT-HUTHGQBESA-N 416.241 3.589 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742442 RJTGRSUNOOPFPA-ODXCJYRJSA-N 421.310 3.679 0 1 HHAF COC(=O)C[C@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963166127 CKJDTQHRLAAASA-DIFFPNOSSA-N 407.816 3.762 0 1 HHAF COc1ccc2c(c1OC)[C@@H](c1ccc(-n3ccnc3)c(F)c1)NCC21CCOCC1 963189602 POIINEXRVMAQOP-JOCHJYFZSA-N 423.488 3.769 0 1 HHAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1CC=C[C@H](C)O1 1772657155 DHKVZDFNSDUEAS-GUYCJALGSA-N 414.506 3.955 0 1 HHAF Cc1ccc([C@@H](O)SNNc2nc(C)nc3c2c(C)nn3-c2ccccc2)cc1 1857590701 YXVRBZTWXRDFMR-NRFANRHFSA-N 406.515 3.997 0 1 HHAF COc1ccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c(OC)c1 1857595599 MWGYVEFNASDZKA-XMMPIXPASA-N 401.466 3.611 0 1 HHAF CCOC(=O)[C@@H]1Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccc(OC)cc1 1911585593 GICWSEWZOLZING-FYYLOGMGSA-N 419.477 3.670 0 1 HHAF C[C@H](CO)CCC[C@H](C)[C@H]1[C@H]2CC[C@@H]3[C@@H]4CC[C@H](O)C[C@@H]4C[C@H](O)[C@H]3[C@@H]2C[C@H]1O 2356426669 FSTVCFLDBGZBCG-DGGSGURSSA-N 408.623 3.602 0 1 HHAF CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 253961030 JLFORSRSVLFNNO-WTNAPCKOSA-N 416.550 3.985 0 3 HHAF O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1ccc(Cl)cc1)CC2 14997850 IPSOGRHVUOBIPD-HXUWFJFHSA-N 411.933 3.726 0 1 HHAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccccc2N)CC(=O)O1 27308281 UQKQHBDJKMZRGP-TVQPCLIKSA-N 405.560 3.539 0 1 HHAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc[nH]c1=O 40943086 NNSLYDIIJXSILN-UHFFFAOYSA-N 416.281 3.851 0 1 HHAF CCN[C@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 45283540 JQJAXXDGYABEDK-HNNXBMFYSA-N 422.377 3.911 0 1 HHAF COc1cccc2c1ncc1c(=O)n(-c3cccc(C#N)c3)c(=O)n(C3CCCC3)c12 117800763 RQVALWJXDPCRBH-UHFFFAOYSA-N 412.449 3.696 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2CC[C@@H]3C[C@@]3(c3ccccc3)C2)n1C 169296956 ACFIBJLBHXWBFG-GCJKJVERSA-N 409.559 3.924 0 1 HHAF CC[C@@H](N[C@@H](C)C1(C(N)=O)CC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220698576 FBOWGJOHHYEXKC-BLLLJJGKSA-N 403.885 3.800 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 253635791 SZDSCLOAPYDVBU-YBSWDAFVSA-N 402.579 3.513 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(C)=O)cc2[nH]1 586938160 VGJSTDYEURJZFM-QGZVFWFLSA-N 403.529 3.538 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)ncc2[nH]1 586973077 NFQGWIBDBROUIC-OAHLLOKOSA-N 405.321 3.831 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(N)ncnc2[nH]1 587086303 FDKBQYPLRAIVIS-SREVYHEPSA-N 400.273 3.966 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3cnc(Br)cn13)CC2=O 587460253 SLFSWKFEPRBDJC-HNNXBMFYSA-N 402.248 3.856 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC 587587596 NJMOLXMBKLBKBF-PXNSSMCTSA-N 409.394 3.516 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2c(c1)CCC2 587602649 IYIICTDSWLLLPG-RDPSFJRHSA-N 402.402 3.823 0 1 HHAF CCOc1ccc(-c2nn(-c3nc(C)cc(O)n3)c(=O)c3ccccc23)cc1OCC 587670403 XCZABPKEGYLUFP-UHFFFAOYSA-N 418.453 3.654 0 1 HHAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC 587749112 NEFUDZXAJXRJGZ-APBUJDDRSA-N 409.299 3.985 0 1 HHAF CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798064 NSMHJOMNUXGLGV-CHSAYFSGSA-N 400.288 3.821 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC2OCCO2)N1 587834097 PYFBQOARIPHXHR-YUNKPMOVSA-N 422.294 3.964 0 1 HHAF COC(=O)[C@@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 653702252 FENXDXHDXYVGRJ-BUXKBTBVSA-N 424.888 3.939 0 1 HHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccccc2-c2ncc[nH]2)N1 962642940 RQIKIDLTTIOHCO-RHSMWYFYSA-N 403.360 3.664 0 1 HHAF COc1ccc(F)cc1[C@]1(C[C@H](C)CC(=O)O)c2ccsc2CCN1C(N)=O 962710042 LEGKLNUSQPXYMI-ODXCJYRJSA-N 406.479 3.577 0 1 HHAF CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)c2nn(C)cc2CCN1C 963955727 RZKPXGOMBZMYBI-RUZDIDTESA-N 419.525 3.684 0 1 HHAF COc1ccc(C(=O)[C@H](C)[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772619279 LTKVIRPRVBVHRN-FPTDNZKUSA-N 419.543 3.973 0 1 HHAF COCc1ccc(-c2cc3c(cc2F)ncc2c3n(C3CCOCC3)c(=O)n2C)cn1 1857636228 SCHKGTJOASJZSG-UHFFFAOYSA-N 422.460 3.587 0 1 HHAF CO[C@@H]1OC(=O)C=C1CC[C@]1(O)[C@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]21C 2356559339 GUYCSTKDTXJMPS-QVDLJNKWSA-N 408.535 3.758 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCC1)[C@H](c1cccs1)N(C)C2=O 2459440 OQBGBTXTMKZHRX-UXHICEINSA-N 414.527 3.688 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4310482 AFAMMXDWWMBOQI-KNXBSLHKSA-N 419.566 3.784 0 1 HHAF O=[S@@](Cc1cc(OCC(F)(F)C(F)(F)F)ccn1)c1nc2cscc2[nH]1 13448709 FFCIBOKXBUJUQN-AREMUKBSSA-N 411.377 3.904 0 1 HHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@H](C)C(=O)N1CCSCC1)C2 25206562 VCLHTUNFLPHNJY-HKUYNNGSSA-N 404.620 3.560 0 1 HHAF biogenic CCSc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 26838294 RKJZPQPAUMJJSI-BKRJIHRRSA-N 411.589 3.598 0 1 HHAF CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1OC 28370914 BWGDPAPRNKGPOP-UHFFFAOYSA-N 402.470 3.550 0 1 HHAF COc1ccc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)cc1 28569100 BRJMSKHFEYVAAH-UHFFFAOYSA-N 407.470 3.728 0 1 HHAF COCC[C@H](CC1(C(=O)Nc2nnc(Cc3ccccc3)s2)CCCC1)C(=O)O 28641131 YMFSGRQEKSFORX-MRXNPFEDSA-N 417.531 3.755 0 1 HHAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cccs2)cc1 43120358 CEQHIFYJMHGOEC-QGZVFWFLSA-N 418.518 3.971 0 1 HHAF CC(C)NC(=O)Oc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1 66259597 VNRAANSZUZZDQQ-UHFFFAOYSA-N 409.530 3.507 0 1 HHAF COCCCNCc1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2 68245825 MXRBTOBXWSETKX-XMMPIXPASA-N 422.569 3.841 0 1 HHAF COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175357 QAMRDZGBKVMJJI-DYVFJYSZSA-N 400.475 3.508 0 1 HHAF COC(=O)CSc1nc2cc(N3C(=O)C4=C(CCCC4)C3=O)c(Cl)cc2s1 103214150 FBJJWXVCNSGBIZ-UHFFFAOYSA-N 422.915 3.959 0 1 HHAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CC2(C)C)c1 114346337 BGKAQJOYFISGLZ-ACJLOTCBSA-N 403.486 3.886 0 1 HHAF O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)NC(=O)c1ccccc1N2 143754815 DEZBPNRRBAPOQD-OAHLLOKOSA-N 401.422 3.566 0 1 HHAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2COC2)CC1 146510197 TWYUPZIQFNEHLH-UHFFFAOYSA-N 409.456 3.705 0 1 HHAF C=CCNc1nc(C#CCO)cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12 146942004 JCJIERSDJAMBJT-UHFFFAOYSA-N 410.481 3.606 0 1 HHAF O=C(Nc1noc2ccccc12)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccccc2)ns1 169295342 DRKWHSZFWNHTMH-GJZGRUSLSA-N 418.482 3.841 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)n1 205145516 AUBGVCAXOQPLIS-SWLSCSKDSA-N 412.425 3.820 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Oc3cc(F)cc(F)c3)cc2)C1=O 207743222 HVTFUXHGTGUTBI-UHFFFAOYSA-N 410.442 3.775 0 1 HHAF CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc(C)c1=O 209433561 QCPWIQHVKZBKSP-MJGOQNOKSA-N 406.486 3.528 0 1 HHAF COC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586937042 KKLSNIDWGRIOSJ-KRWDZBQOSA-N 421.906 3.679 0 1 HHAF Cc1c(Br)ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 586952464 GIXFSGKDKNUIDG-UHFFFAOYSA-N 400.342 3.632 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(C)cnc(Cl)c4[nH]3)CC2)cc1 586955595 SGMHMHSLCGUDOH-UHFFFAOYSA-N 404.923 3.796 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C2)C3=O 587432885 ZTBLRHHRGXTZEL-LTMIRXACSA-N 403.434 3.854 0 1 HHAF CO[C@H](C)c1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587580622 SWWRETWSHGFRDH-SJODRWRQSA-N 405.450 3.915 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCn1c(O)nc3cccc2c31 587585268 CXWLNODEGUWNEQ-MBSDFSHPSA-N 400.390 3.708 0 1 HHAF CCOC(C)(OCC)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655822 RMSHMNMMKQUDCV-UHFFFAOYSA-N 402.397 3.771 0 1 HHAF CCOc1ccc(-c2nn(Cc3cccnn3)c(=O)c3ccccc23)cc1OCC 587669898 RHASWYJGLYXOJP-UHFFFAOYSA-N 402.454 3.699 0 1 HHAF CCOC(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587778882 ONPMYFWIDITDHC-BLVKFPJESA-N 407.283 3.714 0 1 HHAF CCC[C@@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792331 BPWVYURVYSDUII-VOJFVSQTSA-N 400.288 3.640 0 1 HHAF CCOC(=O)c1cnc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc1C 587862936 MBUUQQMFINSPMQ-UHFFFAOYSA-N 406.364 3.842 0 1 HHAF CC(C)c1nn(C)c2c1[C@]1(CC(C)(C)CC3=C1[C@]1(C)CC(=O)N(C4CC4)[C@H]1O3)NCC2 962915516 AGLLTNKVMSRRJU-HVCNVCAESA-N 424.589 3.716 0 1 HHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)N1 962951950 PHWDMRFUIRPLMV-SIEGYJKXSA-N 400.519 3.805 0 1 HHAF CCCN(CC(=O)c1cc(C)n(C)c1C)S(=O)(=O)c1cccc(C(F)(F)F)c1 2648056 LBDSVNNVCFOFOT-UHFFFAOYSA-N 416.465 3.944 0 3 HHAF Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCN(C(=O)c2ccco2)CC1 12594344 AAHIDVNBEWLYGA-UHFFFAOYSA-N 401.413 3.869 0 3 HHAF CN(C(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CCC1 61958654 BHQUGIOBKMAYAC-QGZVFWFLSA-N 415.534 3.897 0 3 HHAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2Cl)CC1 13560116 YNIYVMWQXYYOIY-UHFFFAOYSA-N 424.372 3.825 0 1 HHAF O=C1NC[C@@H](c2c[nH]c3ccccc23)N[C@H]1c1c[nH]c2cc(Br)ccc12 15266952 LQTWCUFHWBBBGT-OALUTQOASA-N 409.287 3.914 0 1 HHAF biogenic O=C1N[C@H](Cc2ccccc2)C(=O)N2[C@H]1Cc1c([nH]c3ccccc13)[C@H]2c1ccccc1 26951674 VIISWPYIGCMBNW-GIFXNVAJSA-N 421.500 3.752 0 1 HHAF C[C@@](O)(CC(=O)O)C[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 27439299 MTVLVZQBVTVBGN-JTSKRJEESA-N 412.511 3.813 0 1 HHAF O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 35593968 ZFFALQXUAIZYIT-OAHLLOKOSA-N 410.499 3.648 0 1 HHAF COC(=O)CCN[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40764287 FDEDDFRZZPKMAF-RUZDIDTESA-N 400.478 3.696 0 1 HHAF COc1ccccc1SC[C@H](CN[C@@H]1COc2ccccc2SC1)OC(C)=O 84811002 PMFBRRQGDIMBLJ-SJORKVTESA-N 419.568 3.862 0 1 HHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC[C@@H]4CCCN4)cc3)oc2c1 145786708 TZFVSGPYEQJXKV-YJBOKZPZSA-N 418.497 3.876 0 1 HHAF CC(C)n1c(=O)nc(N[C@H](C)c2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c1=O 200527674 AXDGKTCQGHHSCD-CQSZACIVSA-N 416.884 4.000 0 1 HHAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1cc(F)cc(F)c1 205408874 WHVWHHWEETUAMA-OAQYLSRUSA-N 406.860 3.810 0 1 HHAF O=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1 206203296 HNXMFENKDNAZDD-UHFFFAOYSA-N 408.266 3.569 0 1 HHAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261083150 CBQSITUTOXWCDZ-KESTWPANSA-N 416.562 3.696 0 1 HHAF COC[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(F)cc1 261184533 WZLTZFARLTVGHL-IBGZPJMESA-N 420.448 3.977 0 1 HHAF Cc1cncc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586950180 RERLYVABCDVIHU-UHFFFAOYSA-N 422.466 3.505 0 1 HHAF COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 586985235 LYHAHPPSOYIWRD-MRXNPFEDSA-N 416.275 3.532 0 1 HHAF CN1CCN(c2ccc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3c2)CC1 587007087 LWDRCIODWJVUHL-UHFFFAOYSA-N 411.307 3.621 0 1 HHAF Ic1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587040346 HDIFICIFGGBFJU-ZIAGYGMSSA-N 422.295 3.509 0 1 HHAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)c(F)c2)c1 587139229 CUIYMMDWWKSJGC-UHFFFAOYSA-N 400.366 3.658 0 1 HHAF O=C1C[C@](C(=O)O)(c2ccc(Br)cc2O)Oc2c1ccc1c2CCCC1 587495255 BXPKNTGHKTUUAQ-HXUWFJFHSA-N 417.255 3.979 0 1 HHAF Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587508036 FJJZUXJQGJRNES-IZHWHUGBSA-N 401.466 4.121 0 1 HHAF CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570989 KHEZHLILHHNQSO-TWPAYOFCSA-N 411.454 3.511 0 1 HHAF Nc1cccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575096 AKCRNKSWFYGAMC-NZQKXSOJSA-N 405.406 3.696 0 1 HHAF COC[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617421 PLRYGHOJGWHSEE-NZQKXSOJSA-N 414.454 3.672 0 1 HHAF COc1cccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659810 DLZCDPOTUKCJOV-UHFFFAOYSA-N 404.397 3.930 0 1 HHAF CCOC(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772307 FKUSDHMWLSLZPX-HXPMCKFVSA-N 407.283 3.714 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 587838597 OIFLOWNOWGEVQB-APBUJDDRSA-N 404.235 3.970 0 1 HHAF O=C(O)c1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O 587940918 NQGGVYOJSKRLGH-UHFFFAOYSA-N 404.216 3.928 0 1 HHAF COc1cc(F)c(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)cc1F 653786556 VIOYOVMECMDXFG-UHFFFAOYSA-N 407.852 3.977 0 1 HHAF O=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(c2ccccc2)CC1 1772586835 QNAOSCIBJPUSDF-UHFFFAOYSA-N 402.542 3.903 0 1 HHAF O=C(CN1CCC[C@@H](CCc2ccccc2)C1)N[C@H]1CCN(Cc2ccccc2)C1 1857566019 JMLPATPCDYFEAO-DQEYMECFSA-N 405.586 3.722 0 1 HHAF CO[C@@H]1CC[C@H](C)C=CCCC(C)=CC(=O)O[C@@H](CC(=O)[C@H]2CSC(=O)N2)C1 2356617830 SMSHEBYPBWDJEV-VDHUWJSZSA-N 409.548 3.800 0 1 HHAF CC(=O)OC[C@]1(C)[C@H](O)[C@H](OC(C)=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@H]12 2356812572 BKDBTIRJFPQKQL-APZNWPTMSA-N 418.530 3.782 0 1 HHAF CC(=CC[C@@H]1C(C)=C[C@@]23C(=O)[C@@H](C=C(C)[C@H](O)[C@]12O)[C@@H]1[C@H](C[C@H]3C)C1(C)C)C(=O)O 2356812912 CAZLJSUHQGDXKU-OCDGTXRXSA-N 414.542 3.519 0 1 HHAF COC(=O)[C@]1(O)C[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 263590270 FTJWBJRBELSSHH-WRALFONMSA-N 419.452 3.933 0 3 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC 4153861 GMWPUZKNIGFKEC-TVLKCDEOSA-N 416.543 3.762 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(F)cc2)CC1 13526261 ZIAICQQANCNQNU-JLHYYAGUSA-N 411.521 3.566 0 1 HHAF O=C(O)c1cc2c(Cl)cc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 28118225 QRHPXKZSKDOGPT-UHFFFAOYSA-N 400.770 3.808 0 1 HHAF Cn1c(=O)c(Nc2ccc(C(=O)NCCc3cccs3)cc2)nc2ccccc21 28526474 OLZXHSSIRJDMJO-UHFFFAOYSA-N 404.495 3.711 0 1 HHAF Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@@H](CCCCN)C(N)=O)no2)cc1 29557083 XGBAPXZQIGWYKP-QFIPXVFZSA-N 406.530 3.635 0 1 HHAF Nc1cccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)c1 40526176 OCNIDFGKJBFLQG-ICSRJNTNSA-N 412.497 3.578 0 1 HHAF COc1cc(OS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc(OC)c1OC 40896082 JWBFLHGKEUBXFE-UHFFFAOYSA-N 414.439 3.510 0 1 HHAF O=C1O/C(=C/c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 586906528 NIEBAVJXLLFTLC-BJMVGYQFSA-N 423.597 3.884 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Cl)ncnc3[nH]2)c1 587048297 HZJOZZFEOCAIKG-UHFFFAOYSA-N 421.288 3.970 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587382059 NSXXSFPZNVCBSA-INIZCTEOSA-N 410.442 3.714 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(N4CCOCC4)=CSc4ccccc41)[C@@H](C2)C3=O 587449319 ABQSRQOMCGVUKF-GAJHUEQPSA-N 407.491 3.617 0 1 HHAF COCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533750 UXLBOSYDOZQLJG-NRFANRHFSA-N 400.496 3.692 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2nc[nH]n2)o1 587614691 ULIOZEXIQOFQPN-LPHOPBHVSA-N 407.407 3.957 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CN(C(=O)OCc3ccccc3)C2)N1 587758684 CZVKTNFTIGXBPV-CYBMUJFWSA-N 419.294 3.970 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587773399 YRFJSYVNFPIPCD-BIBXISHDSA-N 417.278 3.784 0 1 HHAF COc1nc(N(C)C)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587852100 KLCDNZGZMRPVRE-OQPBUACISA-N 400.317 3.743 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)c[nH]1 587867356 XDRMPXOXQPJSOK-UHFFFAOYSA-N 415.169 3.752 0 1 HHAF COC(=O)c1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n(C)c1C 962650805 ZYWLOBPMJRBUPW-SQJMNOBHSA-N 415.537 3.956 0 1 HHAF COc1ccc(C[C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cn1 963174421 GKLLRLISTHDXKL-SCLBCKFNSA-N 414.811 3.819 0 1 HHAF O=C(O)CCC[C@]1(C2CC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181939 IDMOILQPCBVVNX-WMLDXEAASA-N 405.800 3.818 0 1 HHAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1ccc(-n2ccnc2)c(F)c1 963186875 KDORDVLKNNSLFY-HSZRJFAPSA-N 423.488 3.769 0 1 HHAF Cc1c(O)ccc2c1[C@](c1cccs1)(c1cccnc1Cl)N[C@H](C(=O)O)C2 963548579 HBZDBVSVLRKFKX-VBKZILBWSA-N 400.887 3.701 0 1 HHAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@H]2CC(C)=O)[C@@H]13 2356468431 BNWCAXPQWZXTPP-ASYDHUCWSA-N 424.541 3.612 0 1 HHAF CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 2725010 VCYSXXQZUNYZFZ-NDEPHWFRSA-N 415.902 3.939 0 3 HHAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3ccc(F)cc3)c2c1C 2477334 VFPRCHVYACUPCK-UHFFFAOYSA-N 403.435 3.775 0 1 HHAF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055140 JXMASSWBTSIIKE-PKOBYXMFSA-N 405.951 3.951 0 1 HHAF COc1cc(CNCCCNc2nc3ccsc3c(=O)[nH]2)c2[nH]cc(Cl)c2c1 4642686 BJLQAQYMYCFIIM-UHFFFAOYSA-N 417.922 3.720 0 1 HHAF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4ccncc4C3=O)cc2)cc1C 28524676 QKVYXQCCHWMCKW-UHFFFAOYSA-N 414.417 3.539 0 1 HHAF COc1cc([C@@H](O)[C@@H](C)[C@@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC 40865849 QTIKNRHPPGSKAY-QAJFTPDKSA-N 404.459 3.695 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)[C@@H]4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)C[C@H]21 49767901 URBVXPSDUNLXTB-QAQYYMNISA-N 406.607 3.968 0 1 HHAF O=C(c1ccccc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72101764 YQOXIVHPSZTPIW-JOCHJYFZSA-N 408.452 3.739 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)cc(O)c31)[C@@H]1CC[C@H](C2)N1 96175345 CSWWUSLTFBDNLZ-WBMJQRKESA-N 402.903 3.719 0 1 HHAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2cc(C)nn2C)cc(-c2ccc(C)cc2)c1 142624552 CDOBUTCKRFPKID-KRWDZBQOSA-N 420.513 3.721 0 1 HHAF COc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c1 167329348 WGFSLPFYDPNSCW-DNVCBOLYSA-N 421.522 3.728 0 1 HHAF COC(=O)C[C@@]1(C)CC[C@]2(O1)C(C)=C[C@@H](O)[C@@H]1[C@@](C)(COC(C)=O)CCC[C@]12C 238779306 SPCSGPZOUMTYFD-RMVQUMDPSA-N 408.535 3.554 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586886178 DXDRRJKGKSGCHK-FOIQADDNSA-N 401.532 3.739 0 1 HHAF O=S(=O)(NCCc1nc2cnc3ccccc3c2[nH]1)c1c(Cl)cccc1Cl 586941922 DRJNWIWDJKPVFN-UHFFFAOYSA-N 421.309 3.939 0 1 HHAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(S)nc(S)nc4[nH]3)c2C1 587035046 SWEOHTIXXZLFDL-UHFFFAOYSA-N 421.573 3.952 0 1 HHAF Cc1c(Br)cnc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c12 587038892 NNHUKHFAQUJQEO-UHFFFAOYSA-N 411.285 3.894 0 1 HHAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(O)cc2[nH]1 587109573 YZPRLEVJOCLENP-HNNXBMFYSA-N 411.405 3.813 0 1 HHAF COC(=O)c1cccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c12 587112535 KXQPMTUVXCFHPY-IBGZPJMESA-N 405.376 3.768 0 1 HHAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccnc(N)c4[nH]3)nc2n1 587114722 GITVZHBHJIZFDA-UHFFFAOYSA-N 407.425 4.006 0 1 HHAF Cn1nc(-c2nc3cc(N)c(N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587131109 XXPNRZMHQUYGPE-UHFFFAOYSA-N 421.411 3.944 0 1 HHAF NS(=O)(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151836 UOEWEVDJRMYMOR-IBGZPJMESA-N 415.421 3.657 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379933 YMIOIDJHKXWAPP-OAQYLSRUSA-N 401.846 3.614 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(C(=O)OC)cc1)CC2=O 587482655 UWWIXSCXYNLDBU-QHCPKHFHSA-N 412.438 3.555 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(O)[nH]c3ccccc13)CC2=O 587484380 OFAYAIDIJVURDW-QHCPKHFHSA-N 409.438 3.955 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C[C@H]3CCCO3)C[C@H]2C)N1 587759561 GKKOFMITECBEJG-NOAAKOMESA-N 411.359 3.839 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759751 VHRZLFZOVRCHDL-HNDNADPKSA-N 421.358 3.966 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCOCC3)s2)N1 587857321 ZPYAKMMJHBVAPE-QLJPJBMISA-N 412.328 3.505 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2ccc(Cl)cc2)cc1 653780546 ZYTBAYUXHYASOF-GOSISDBHSA-N 401.875 3.936 0 1 HHAF C[C@@H](N)CC(=O)Nc1nc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)cs1 962666886 TVTLDXISEJVQNA-IQMFZBJNSA-N 406.555 3.895 0 1 HHAF C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H]1C[C@H](O)C(C)(C)O1 1772588227 YKAVTBPLBCQDSH-FMIFNLOCSA-N 409.526 3.913 0 1 HHAF CC(C)COc1cc(C(=O)O)c(O)c(I)c1-n1cccc1 1857760362 RDEOBMAAGRWHOY-UHFFFAOYSA-N 401.200 3.521 0 1 HHAF O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cccc(-c2nn[nH]n2)c1 1911579904 JNGSJTJKESOJRD-UHFFFAOYSA-N 402.892 3.861 0 1 HHAF CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3cccc(OC)c3[nH]2)C1 2356321501 URAJYIVJUZVLRA-JKSUJKDBSA-N 401.507 3.634 0 1 HHAF COc1cc(CN2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)cc2c1OCO2 13637172 URGBWOONWGBUDF-KRWDZBQOSA-N 414.502 3.634 0 3 HHAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 772825 PKBSLSMZIIHRQU-YHBQJITHSA-N 403.885 3.637 0 1 HHAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)cc1 4208267 HMXDUHDVWYITGD-TZIWHRDSSA-N 414.889 3.689 0 1 HHAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@@](=O)CCOC(=O)c2ccccc2)C1 13584851 ZLQIMBGPLMNTJT-OAEHIHBQSA-N 419.974 3.981 0 1 HHAF CCCCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O 13738122 WCRSXUOLWFUOFH-NRFANRHFSA-N 404.551 3.537 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)[C@@H](Cc1ccccc1)S(=O)(=O)C(F)(F)F 26028693 QZVDHYJGKGRAGF-CQSZACIVSA-N 412.838 3.617 0 1 HHAF COC(=O)C1(NC(=O)CCCOc2ccc(Cl)cc2Cl)Cc2ccccc2C1 26381034 LMXJCXPPVTVYHM-UHFFFAOYSA-N 422.308 3.979 0 1 HHAF C[C@H](COCC(=O)O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 26652550 GMBVIHZWCQLUJW-MBSDFSHPSA-N 416.949 3.784 0 1 HHAF CN(c1ccc2c(c1)OCCO2)c1nnc(-c2cccnc2NCc2ccccn2)o1 28569689 ZCKZUSANVPSSFQ-UHFFFAOYSA-N 416.441 3.678 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820970 RRXQFLZAUDOIPG-IYGIERDOSA-N 404.547 3.865 0 1 HHAF Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc1CC2 40897163 JLMLLWRMDXREDN-UHFFFAOYSA-N 419.504 3.664 0 1 HHAF c1cc(C2=NCCN2)ccc1Oc1ccc(-c2nc3ccc(C4=NCCN4)cc3[nH]2)cc1 45366602 GXDSOPNCCPBWCX-UHFFFAOYSA-N 422.492 3.722 0 1 HHAF Cn1c(=O)n([C@@H]2CCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 71315967 CMAXRDZPNRLDDJ-QGZVFWFLSA-N 411.465 3.995 0 1 HHAF CC[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207312 PSHNNCNEHWXXJM-LJQANCHMSA-N 416.481 3.621 0 1 HHAF CC(=O)c1ccc(OCc2cn(Cc3ccc(Br)cc3)nn2)cc1O 84687157 VLEWTMDNHOYVFG-UHFFFAOYSA-N 402.248 3.576 0 1 HHAF CCNC(=O)Nc1ccc(-c2nc(N3C[C@H]4CC[C@H](C3)O4)c3sccc3n2)cc1 101306763 XQXVCGDWWAHZSJ-HZPDHXFCSA-N 409.515 3.867 0 1 HHAF COC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 115312284 AROJDDQVTUYGCF-UHFFFAOYSA-N 403.413 3.881 0 1 HHAF COC(=O)c1sc2ncnc(Nc3cccnc3OC[C@H]3CC3(F)F)c2c1C 118738067 BMMVSQGTNQBFFP-SNVBAGLBSA-N 406.414 3.959 0 1 HHAF NC(=O)c1ccc(-c2ccnc3c(-n4cnc(-c5cccnc5)c4)cccc23)cc1N 169710348 UVHMQOYZICELAQ-UHFFFAOYSA-N 406.449 3.831 0 1 HHAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N1CC(F)(F)C1 207738193 VPDWUFSNLDHIGD-UHFFFAOYSA-N 421.488 3.514 0 1 HHAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(F)c(F)cc4[nH]3)cccc12 586941024 BRQIKEXOQLKIJL-UHFFFAOYSA-N 416.453 3.539 0 1 HHAF CC(C)(C)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2n1 587026035 TXYCGAWYLJJCRJ-UHFFFAOYSA-N 407.503 3.740 0 1 HHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587113087 NWTYEDQITZLLHT-HXUWFJFHSA-N 416.403 3.866 0 1 HHAF COC(=O)c1cc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c2cn1 587147325 MBLMNVFVRNYVOY-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF COC(=O)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258303 GBGNYNXZIPHLGO-SFHVURJKSA-N 402.454 3.921 0 1 HHAF CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341585 JWWGEFBZJGGJFW-NFBKMPQASA-N 424.428 3.565 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O 587417104 JFOXCSSNDDZADE-VOJFVSQTSA-N 420.646 3.706 0 1 HHAF COC(=O)c1cc2nc(Cl)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2n1C 587422155 RVTSXTALXVZYIK-NSPYISDASA-N 412.829 3.511 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(/C(=C/c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O 587438803 QZJRYHGWYSSRHJ-FNKZLSGJSA-N 403.478 3.957 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(O)CC3)o2)N1 587770224 RJYDJNMJBFLKJG-WYRIXSBYSA-N 409.299 3.766 0 1 HHAF CC[C@]1(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587962685 ZABQFZBVFVQNHP-JOCHJYFZSA-N 411.527 3.581 0 1 HHAF COc1ccc2c(c1OC)[C@]1(C(=O)Nc3cc(OC(F)(F)F)ccc31)N(C)[C@@H](C)C2 962620425 HJOCPHBXJDFMEG-PRWKNARSSA-N 422.403 3.675 0 1 HHAF CCCC(=O)C[C@]1(C(=O)OCC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631533 FCWWFAOQGMSPOR-BKMJKUGQSA-N 420.553 3.951 0 1 HHAF CCOc1ccccc1[C@@]1(CCCCC(=O)O)c2ccsc2CCN1C(N)=O 962718116 YLAMJDOCBWRIJH-NRFANRHFSA-N 402.516 3.972 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@](Cc2ccncn2)(c2ccc(F)cc2)N1)C(F)(F)F 962728588 FJVOTXIGWYIBAV-FPOVZHCZSA-N 415.390 3.748 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 963178778 DXDAKRQQEJIEHS-ILMWMFGGSA-N 409.835 3.931 0 1 HHAF CCOC(=O)C(C)(C)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189447 WQVYCZONDFSAOG-APPDUMDISA-N 407.816 3.762 0 1 HHAF COc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231409 MIJXRKZCXGCUSE-RDGATRHJSA-N 413.477 3.904 0 1 HHAF CCC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 1772570445 IXLAAWNARVPNNE-FSXKIHRRSA-N 412.574 3.918 0 1 HHAF COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1 1772641564 SXABNFMIJZBSPG-UHFFFAOYSA-N 401.426 3.599 0 1 HHAF CSc1cccc(-c2cccc(NC(=O)CCc3cccc4c3B(O)OC4)c2)c1 1857607772 SLWCDRPHWFAWEA-UHFFFAOYSA-N 403.312 3.865 0 1 HHAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)(O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356791359 IOGWPIQCBSCWQJ-FOCCNNJVSA-N 408.579 3.798 0 1 HHAF O=C(NC[C@H]1CCCO1)c1onc(CSc2cccc3ccccc23)c1C(=O)O 8691352 LWIHVUAXGGRGQG-CQSZACIVSA-N 412.467 3.727 0 3 HHAF COc1ccc(CC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1OC 12725636 YJTGNDIRZCDWLN-LJQANCHMSA-N 400.494 3.508 0 3 HHAF CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61902612 DAIDAZAFJVDURE-HXUWFJFHSA-N 400.525 3.613 0 3 HHAF CCOC(=O)C1=C(C)/C(=C2/CSC(Nc3ccc(OCC)cc3)=NN2)N=C1C 96129934 XBSCRBCMSRNPPF-FBMGVBCBSA-N 400.504 3.670 0 3 HHAF CC[C@H](C)N1CC(=O)N2[C@@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6440661 YPURBVJRAJCDAH-FBOFTVOISA-N 401.510 3.960 0 1 HHAF biogenic COc1ccc(CCC(=O)C[C@H](O)CCc2ccc(OC)c(OC)c2)cc1OC 27555577 NDVBVCMOGVYWMV-GOSISDBHSA-N 402.487 3.607 0 1 HHAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccc(S(=O)(=O)O)o1 28220704 TUCTVWXTGQLAEB-UHFFFAOYSA-N 411.819 3.607 0 1 HHAF CCO[C@@H]1C[C@H](c2ccccc2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40914589 LLYAOCTXYWTOMZ-IEBWSBKVSA-N 414.893 3.849 0 1 HHAF CCOc1ccc2c(c1)cc([C@@H](OC(C)=O)P(=O)(OCC)OCC)c1nnnn12 49054443 HLYRDVOIXIXEHQ-SFHVURJKSA-N 422.378 3.504 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@H]2C[C@@H]3C[C@]3(c3ccccc3)C2)n1C 64527211 XWXGIXOQLMBDID-KGVIQGDOSA-N 409.559 3.971 0 1 HHAF COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OC 96923786 HLJFGHBEQMHJLF-UHFFFAOYSA-N 418.405 3.527 0 1 HHAF O=C1C[C@H](c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2ccccc2Cl)CC1 96938057 UGLZGHZOMPBLMF-QGZVFWFLSA-N 418.324 3.616 0 1 HHAF Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1Cl 104079839 VMWXBVBHEOZLMR-HNNXBMFYSA-N 405.841 3.584 0 1 HHAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(C(F)F)c3)ccc1OC1(CCC1)C21COC1 149300497 HSUAECWUMSPRSF-QFIPXVFZSA-N 413.424 3.558 0 1 HHAF CC(=O)[C@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Br)cc1 169693992 UHNBEZJCHGCWAS-CVEARBPZSA-N 419.275 3.597 0 1 HHAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@@H]2CN(C(=O)c3ccccc3)[C@H]2C1 205434930 GAIJRQBCRJNVSN-QAPCUYQASA-N 404.297 3.659 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)Cc3ccc(cc3)CC(=O)Nc3ccc(cc3)[C@H]1C2 253639680 MTTQVAJJGOFFBH-BJESRGMDSA-N 404.510 3.533 0 1 HHAF Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)on1 473180291 HWWYHMHQPFNENG-AYBZRNKSSA-N 422.460 3.960 0 1 HHAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)o1 586931120 LWRTVSYSVSZWQF-UHFFFAOYSA-N 409.773 3.625 0 1 HHAF CCOC(=O)C[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361514 ZCDDFFKLULEZLV-PNDGYVOYSA-N 414.429 3.619 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1I)[C@@H](C2)C3=O 587426329 BIIMQSSZTQWAPO-DYZYQPBXSA-N 410.182 3.928 0 1 HHAF COC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cnc1N 587433107 NRVTYRWOXOKQIZ-VGSWGCGISA-N 416.433 3.615 0 1 HHAF C[C@@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538907 CFHNUYGEYIIECV-LPHOPBHVSA-N 415.243 3.772 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587584164 WZHGDWPYSWEQDR-DHUIEDIVSA-N 411.454 3.979 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587732273 JDNXIFINHGVSGI-YPMLDQLKSA-N 405.246 3.672 0 1 HHAF COCCN(C)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587739166 GDJKONDSFRZMKP-CWTRNNRKSA-N 408.315 3.689 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cn(C)c3ccccc23)N1 587753260 AUNAODAVNQIBQC-BIBXISHDSA-N 417.278 3.942 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(C)(=O)=O)cc1F 587868008 HIFKULYDOLDLGP-UHFFFAOYSA-N 415.368 3.504 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(Cl)cc1S(C)(=O)=O 963061819 VPNITCUZYPOKER-HXUWFJFHSA-N 402.903 3.535 0 1 HHAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN)cc1 1857629984 MZRQRPABQLFPGF-UHFFFAOYSA-N 417.513 3.633 0 1 HHAF O=C(c1ccc(-n2cccn2)nc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 1857632029 UOZKHHPSKUCOIJ-UHFFFAOYSA-N 416.312 3.532 0 1 HHAF CCOc1ccc(F)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1857745142 FTGMQXCXCQTDBM-LLVKDONJSA-N 400.859 3.627 0 1 HHAF CC(=O)N1c2ccc(C3=CCNCC3)cc2N(Cc2ccccc2CO)C[C@@H]1C1CC1 1857757254 ARWMKZDWGIOCEU-AREMUKBSSA-N 417.553 3.707 0 1 HHAF CC(=O)[C@H](O)C=C([C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1)[C@@H](O)C(C)=O 2356589796 SPDXMPWYKQHATD-GZMCTOMXSA-N 406.563 3.603 0 1 HHAF Cc1cc(O)c2c(c1Br)[C@@H]1Oc3cccc(C(=O)O)c3C(O)=C1OC2=O 2356817147 DIARVRAAYLMHDN-HNNXBMFYSA-N 419.183 3.692 0 1 HHAF Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 12429569 CMTYBHNKMVCODM-FQEVSTJZSA-N 411.546 3.878 0 3 HHAF CCCOc1ccc(NC(=O)c2cccs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 12360834 QESAZZJJPJGKDO-UHFFFAOYSA-N 423.498 3.735 0 1 HHAF C[C@]1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3OC3CC3)cc2)C(=O)O)CCCO1 13442242 VWGXMPUNQZIEBK-GBXCKJPGSA-N 409.482 3.576 0 1 HHAF O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCN2)cc1 40401639 WQLOWAOWARASDB-UHFFFAOYSA-N 419.872 3.589 0 1 HHAF COC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1 53246811 BTERWJGRHAZWQN-UHFFFAOYSA-N 418.457 3.739 0 1 HHAF COc1cc(C(=O)c2cc(-n3cncn3)ccc2-c2ccco2)cc(OC)c1OC 64564530 VGWVJEGUIVTPHQ-UHFFFAOYSA-N 405.410 3.784 0 1 HHAF COc1cc2nc(NCCCN3CCCC3=O)nc(NCCC(C)C)c2cc1OC 82130388 AGBQXUNWVIQRQV-UHFFFAOYSA-N 415.538 3.529 0 1 HHAF Oc1cccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@H]2CCCO2)c1 82178263 ZWBKLLZEHGJERR-LJQANCHMSA-N 401.470 3.990 0 1 HHAF Nc1nn(CC(=O)N2CCCCC2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 96934522 ACOUGGFYOTYPRE-UHFFFAOYSA-N 403.408 3.712 0 1 HHAF O=C(Nc1ccc(-c2cc(=O)cc(N3CCOCC3)o2)cc1)OCc1ccccc1 101074144 UYFSNCXAHVBFRI-UHFFFAOYSA-N 406.438 3.892 0 1 HHAF CC(=O)Nc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)nc3c2CCCC3)cc1 103171940 UFLPQYIOKNNSLX-UHFFFAOYSA-N 409.511 3.780 0 1 HHAF CS(=O)(=O)c1cccc(-c2csc3ncnc(Sc4nncs4)c23)c1 114808294 QHJALXJCXNGPTG-UHFFFAOYSA-N 406.539 3.765 0 1 HHAF C[C@@H]1c2ccc3c(c2[C@@]2(O)C[C@H]4CC[C@@H]1N2C4)C[C@H]1[C@H]3C[C@@H](O)[C@H]2C[C@@H](O)CC[C@@]21C 143776938 GJGOGOYXQXVPNO-PNVCAHDBSA-N 423.597 3.621 0 1 HHAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(OC[C@H](C)O)ccc3Cl)nnc12 145728498 MNFCPURQCIBMOM-NSHDSACASA-N 409.877 3.938 0 1 HHAF COc1ccc(C[C@@H](N)CCCC[C@H](N)Cc2ccc(OC)c(OC)c2)cc1OC 169325308 ZWEFGEBBKBNPER-PMACEKPBSA-N 416.562 3.721 0 1 HHAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(O)cc2)CC(=O)O1 169371551 WWIFVGATCKIYGE-HHSIDCJUSA-N 406.544 3.663 0 1 HHAF CC(C)COc1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)c(F)c1 217373191 LJIFTDXMEPVARJ-PMUMKWKESA-N 418.469 3.530 0 1 HHAF Cc1cc(C)c(-c2nc(CO)[nH]c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 218969042 NLJOMQOECSADHJ-UHFFFAOYSA-N 400.482 3.606 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 586935422 HDKCHPHFMYTSHH-LBPRGKRZSA-N 414.915 3.523 0 1 HHAF CC(=O)N[C@@H](Cc1nc2ccc(C(C)=O)cc2[nH]1)c1ccc(Br)cc1 586985555 OHAWMFZDDFEHDW-KRWDZBQOSA-N 400.276 3.948 0 1 HHAF N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc-2c(Cl)[nH]1 587028486 YKOOJEJLIPQXBX-XQQFMLRXSA-N 416.938 3.507 0 1 HHAF Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 587608027 IWRPIZITLAVKGR-GBXCKJPGSA-N 416.385 3.919 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 587771024 DWZOFVHHVQKUKM-RBZFPXEDSA-N 420.326 3.618 0 1 HHAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834375 QZROWUQGPZAITI-UHYGZKCKSA-N 414.315 3.840 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCCS(=O)(=O)c3ccc(C)cc31)N(C)[C@H](C)C2 962629429 HQOUEOMABWNPHY-MWTRTKDXSA-N 415.555 3.700 0 1 HHAF O=C(O)c1ccc2c(c1)[C@]1(N[C@H](C(=O)O)Cc3c1cnc1ccccc31)c1ccccc1-2 963228265 OHIUDVYTQROKFJ-JYFHCDHNSA-N 422.440 3.804 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC2(COC2)C1 1772636143 RXZWDXKIAHRTMP-UHFFFAOYSA-N 415.371 3.913 0 1 HHAF Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)n1 1857548545 RRXYRBKPNBLNST-UHFFFAOYSA-N 413.524 3.657 0 1 HHAF Cn1cc(-c2ccc(NC(=O)N=c3cc(C(C)(C)C)o[nH]3)cc2)c2c(N)ncnc21 1857598958 PXGOLUKYCGNHKK-UHFFFAOYSA-N 405.462 3.569 0 1 HHAF O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cn(Cc3ccc(Cl)cc3)nc2N1 1911575923 QKZOPVVHEFLVQM-HXUWFJFHSA-N 413.264 3.819 0 1 HHAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccnc5ccccc45)C[C@@H]3F)[nH]c2c1 2356710310 YRGKWWLJFUJXTC-PGRDOPGGSA-N 406.461 3.859 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 12566384 OOYHHUNRQPNUKT-GASCZTMLSA-N 401.532 3.576 0 3 HHAF Cc1cccc(N(C)S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)c1 645244 UKTPUDADGLYLQJ-UHFFFAOYSA-N 424.478 3.771 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)CC)c1 4206347 LLFGXFLGTLLIDV-QFUCXCTJSA-N 416.905 3.718 0 1 HHAF CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 13472353 RPJWXCWBXBWFCF-UHFFFAOYSA-N 420.408 3.927 0 1 HHAF O=C(O)C[C@@](O)(CSCCCCCCc1c(Cl)cncc1Cl)C(=O)O 13758224 HKCSEDLYHWYCLF-MRXNPFEDSA-N 410.319 3.515 0 1 HHAF O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2C(=O)CN1C1CC1 16043193 JVXWQZSEGWLWRM-KNQAVFIVSA-N 405.885 3.669 0 1 HHAF biogenic CN(C(=O)N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 26379319 BCAYFVWDGNYAJC-OAQYLSRUSA-N 402.429 3.787 0 1 HHAF COC(=O)N1CC[C@](Cc2ccncc2)(c2ccc(OC)c(OC3CCCC3)c2)C1=O 27330166 ZIFBKZGTLPKWNH-DEOSSOPVSA-N 424.497 3.891 0 1 HHAF COc1cc(C2=NN(C(C)=O)[C@@H](c3cccc(C(F)(F)F)c3)O2)cc(OC)c1OC 40568397 FMVWOMXLEZTWMA-LJQANCHMSA-N 424.375 3.970 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@]4(C)[C@@H]3CC[C@@]21C 40676924 ZMAIFLOHRXCDQS-UGZJZXHWSA-N 418.622 3.959 0 1 HHAF COc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)ccn1 95573370 OJAQXSAISVSZNQ-DEOSSOPVSA-N 411.440 3.697 0 1 HHAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-n2cccn2)n1 166852109 HCZHZFFMGNOCCI-SFHVURJKSA-N 406.486 3.928 0 1 HHAF CCO[C@H](Cc1ccc(OCCN2c3ccccc3O[C@@H]3C=CC=C[C@@H]32)cc1)C(=O)O 169330676 ACYMEKQXUVUFGC-BGWNEDDSSA-N 421.493 3.860 0 1 HHAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169355260 YUIOLTJERQAJEI-XBSLQCMUSA-N 414.461 3.505 0 1 HHAF CN[C@](c1nc2ncc(C#N)cc2[nH]1)(c1c(OC)cc(C)c2[nH]ccc12)C(F)(F)F 219478710 QKNPPIQDEBBNJM-IBGZPJMESA-N 414.391 3.653 0 1 HHAF Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C 253677898 NFQWOMAFZMZYOX-FZNQNYSPSA-N 403.477 3.530 0 1 HHAF Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 473180320 LYVOAXHYXMTGTB-NEWSRXKRSA-N 410.493 3.596 0 1 HHAF N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1Cl 587056118 HIHNOQWKLIAPNN-GFCCVEGCSA-N 403.813 3.752 0 1 HHAF Oc1nc2cc3nc(/C=C/c4cccc(I)c4)[nH]c3cc2[nH]1 587185249 ZZLJULJWIULDFX-SNAWJCMRSA-N 402.195 3.920 0 1 HHAF CN(C)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352053 VWSSCCKVZIIXCY-URXFXBBRSA-N 418.424 3.804 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CCC(=O)OCC)C(=O)OCC)CC2=O 587481360 LRKQKWFMMPDORR-AOMKIAJQSA-N 406.475 3.591 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(C)nc3ccccn13)CC2=O 587489383 LTNXQRCDFGYAHS-QHCPKHFHSA-N 408.454 3.725 0 1 HHAF CCN(C(C)=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587615627 XHYIPDPATLHIDQ-YLJYHZDGSA-N 410.451 3.924 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587743024 CIIWENJEDHQLOT-DGIBIBHMSA-N 405.315 3.711 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 587762266 RVFLUKOYKPKEJF-PRWKNARSSA-N 417.278 3.634 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC 587772444 VLIFNFKHZZGEHG-FVMDXXJSSA-N 411.271 3.633 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797572 MGYMXWLVAJSNLA-WYRIXSBYSA-N 414.315 3.886 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 587850367 POSQAVGJUVKLCK-KPZWWZAWSA-N 412.324 3.812 0 1 HHAF CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@H]4OCCN3CC[C@@H](F)C3)c12 653666698 MUHIWTRMLIAJQY-XLMAVXFVSA-N 404.555 3.842 0 1 HHAF COc1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(C)c1OC 962638721 MHXDTCARSYMSLF-YKSBVNFPSA-N 406.482 3.748 0 1 HHAF O=C(O)c1ccc2c(c1)[C@]1(N[C@H](C(=O)O)Cc3cccc(F)c31)c1ccccc1O2 962920814 MFDNSVVOVZUTTK-GAJHUEQPSA-N 405.381 3.520 0 1 HHAF C[C@@]1(c2cnn(-c3ccccc3)c2F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976233 ZICQWUJLUJLBBD-QRWLVFNGSA-N 421.806 3.805 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCc3cc(F)c(F)c(F)c32)N1 962979472 SKWDSWQMNSGMIU-ADLMAVQZSA-N 403.734 3.824 0 1 HHAF COC(=O)c1ccc([C@@]2(C(F)(F)F)NCCc3cnc4c(OC)cccc4c32)cc1 963057150 LSYYQEXFHNFWQQ-OAQYLSRUSA-N 416.399 3.982 0 1 HHAF O=C1c2ccccc2C(=O)N1n1cccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963119054 YWICBLIPFSYARV-VGSWGCGISA-N 401.441 3.669 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3cccnc3)c(OCc3ccccc3)ccc12 1772597691 COXFRQHQIVCSFB-UHFFFAOYSA-N 415.449 3.666 0 1 HHAF O=C(Nn1cnnc1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772649994 ODFVRDMWQUANEB-PKNBQFBNSA-N 422.452 3.847 0 1 HHAF CC(=O)C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@H](C=C=CBr)O[C@@H]21 2356442820 RCEIRMABDXAXPX-OFAJPRRMSA-N 404.098 3.828 0 1 HHAF Cc1ccc(OCc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)no2)cn1 11938501 FBYHMGHQDAMWBQ-UHFFFAOYSA-N 407.348 3.786 0 3 HHAF CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccc2c(c1)OCO2 1658803 FCYXNMTZQWYZTE-UHFFFAOYSA-N 416.484 3.840 0 1 HHAF C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN2C[C@@H]3CCC[C@H]2C3)C[C@@H](C)O1 11936120 ARQFUPXPMNOVHU-HPFXQQBRSA-N 416.953 3.612 0 1 HHAF O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 13802789 PMWKIVSTVWIKHW-UHFFFAOYSA-N 401.982 3.795 0 1 HHAF Cc1ccc(NC(=O)NCCN2CCCC2)cc1Nc1nccc(-c2cccnc2)n1 28376545 NUZXYWIRCCEMEG-UHFFFAOYSA-N 417.517 3.808 0 1 HHAF O=C(CCN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc(F)cc1F 28647130 GHAKJIVGMVMXGN-UHFFFAOYSA-N 411.855 3.904 0 1 HHAF C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 44361364 ZAZQQOOBLLITLN-ZLUZBZAUSA-N 418.618 3.833 0 1 HHAF CN[C@@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 45286438 QXSRGQRPCNIFBV-CQSZACIVSA-N 408.350 3.521 0 1 HHAF Cc1ccc(C2=NN[C@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 49045778 GJXRCQUWMGJZHI-PEYYIBSZSA-N 400.326 3.906 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(c4ccccc4)C[C@@H]3C2)n1C 64548385 NGVUDBRNEJJAEO-XMSQKQJNSA-N 409.559 3.924 0 1 HHAF CC[C@@H](COC)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ncnc21 84672119 RVOWIUNAJDIOCU-NSHDSACASA-N 406.845 3.561 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](CCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 95584368 FYEUWJWPCZJKLN-UZLBHIALSA-N 424.541 3.975 0 1 HHAF Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1 96285052 LPXWVADJMUAREE-UHFFFAOYSA-N 403.530 3.984 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)Cc3ccc(cc3)CC(=O)Nc3ccc(cc3)[C@@H]1C2 101055729 MTTQVAJJGOFFBH-KAOXLYBCSA-N 404.510 3.533 0 1 HHAF C[C@](O)(CN(C1CCC1)S(C)(=O)=O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148369455 QOMOAQULTDEWCZ-OAQYLSRUSA-N 422.497 3.638 0 1 HHAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCNc3nc(C)cc(C)n3)c2)c1 201552295 GIOHADDLBXKIEE-UHFFFAOYSA-N 417.473 3.618 0 1 HHAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c1 586904642 XFXGTWLRRMVPRV-INIZCTEOSA-N 403.504 3.579 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cncc(OC)c3[nH]1)C(=O)OC2 586915244 KANOYCGTLWPRND-XGICHPGQSA-N 423.469 3.781 0 1 HHAF O=S(=O)(Cc1nc2cc(F)c(F)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950635 IEXHOHPXCBFLCJ-UHFFFAOYSA-N 424.448 3.912 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1 587022357 YIWLJIDYYBLAIF-UHFFFAOYSA-N 418.276 3.636 0 1 HHAF CC[C@H](c1nc2cc(Cl)ncc2[nH]1)n1cc(I)c(C)n1 587186410 VRIFNZUQYVQCLH-LLVKDONJSA-N 401.639 3.720 0 1 HHAF CN(C)C(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574851 ZDWNDHYCLLSAFM-ZJSXRUAMSA-N 419.433 3.562 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587856897 JKEDGXOQOLRUFX-ZMNCSTGQSA-N 402.329 3.634 0 1 HHAF Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(C3CC3)n2)cc1OC(F)F 653755643 GRKXQTVLFZWIRI-UHFFFAOYSA-N 416.472 3.783 0 1 HHAF CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)NCCc3c(C(=O)O)cccc32)n(C)c1 963144756 MGHLBAPJAANUES-QGZVFWFLSA-N 415.704 3.685 0 1 HHAF CNC(=O)Cn1cc2nccc(Nc3cc(-c4cc(C)ccc4F)ncc3C)c2n1 1772637360 PQMZGBYPKGRJFN-UHFFFAOYSA-N 404.449 3.739 0 1 HHAF Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(N4CCOCC4=O)cc3)n2)cc1 1857630710 YOGQJMOYNJOFNY-UHFFFAOYSA-N 410.865 3.684 0 1 HHAF O=C(/C=C/c1ccccc1)Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1 1857763981 OZUGMYOCCOSNML-IZZDOVSWSA-N 401.470 3.709 0 1 HHAF COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C(C)(C)C)C2 1857775030 MFFBCFKMDSBJKI-NRFANRHFSA-N 415.486 3.781 0 1 HHAF CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@@H]3O[C@@H]2CC(C)=CC[C@H](OC(C)=O)[C@]3(C)O)[C@H]1C(C)C 2356409014 VXAZNVCCWPGZMQ-MKRNTKKCSA-N 420.546 3.573 0 1 HHAF CC[C@H](O)[C@@H]1[C@@H]2CC[C@H]3[C@H]4C(=CC[C@@H](CC2)N31)OC(=C1OC(=O)C(C)=C1OC)[C@@H]4C 2356503948 ZOUDZLSCIFATNZ-OHLKBTDQSA-N 415.530 3.628 0 1 HHAF CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356505512 GZWAPPJQZHYUJY-VSQYNUGQSA-N 418.530 3.823 0 1 HHAF CC(=O)Nc1ccc(CNC[C@@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 2356647011 XPALHBRDHQSRCG-HXUWFJFHSA-N 410.905 3.851 0 1 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)c(OC)c1[C@H](O)[C@@H](C)[C@H](C)C2=O 2356668780 BEUGPSCQTBNYDU-QSRBQVKKSA-N 416.470 3.899 0 1 HHAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@H]3CC[C@H]2[C@@H](C)N(C)C)C1 2356775144 IBSSTHUKHGWWLF-MNDRQORFSA-N 402.623 3.993 0 1 HHAF COC(=O)c1ccc(CN2C(=O)[C@]3(OCCC=C[C@H]3C)c3cc(OC)ccc32)cc1 36381897 QTMVZSYYVSLFPK-VOIUYBSRSA-N 407.466 3.837 0 3 HHAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN2CCCC2=O)cc1 2483465 OYFQDOVBGPMIFE-UHFFFAOYSA-N 413.518 3.780 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc3ccccc3s2)cc1 7766914 MOUXMVWWTHLIRR-QGZVFWFLSA-N 415.540 3.787 0 1 HHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C(=O)[C@H](CP(=O)(O)O)C(=O)O 13742381 SQISONUCQGREKN-GCVUPTOQSA-N 415.467 3.743 0 1 HHAF CCCCN(Cc1ccccc1-n1ncnn1)c1nc2nc3ccccc3n2s1 27558373 HDQGTMUPHAFFFL-UHFFFAOYSA-N 404.503 3.726 0 1 HHAF CCCN(CCN1CCN(c2ccccc2OC)CC1)[C@@H]1CCc2c(O)cccc2C1 28964249 ZGSHIAJEAFZHNC-JOCHJYFZSA-N 423.601 3.792 0 1 HHAF Brc1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1 34838209 WEJMLPGOQFFMGP-UHFFFAOYSA-N 417.336 3.516 0 1 HHAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1ccccc1-c1ccccc1 35919050 FJLKJDQLCWWIGU-OAQYLSRUSA-N 407.514 3.529 0 1 HHAF CC(C)N1CCC(Oc2cc3cc4n(c3cc2Br)[C@@H](C)CNC4=O)CC1 64540171 DNJOROZLUNUHBO-ZDUSSCGKSA-N 420.351 3.960 0 1 HHAF Cc1ccc(NC[C@@H]2C[C@H]3C[C@H]3CN2C(=O)c2nc(C)ccc2OCC2CC2)nc1 68208631 CASGQJXMMUMBTN-AABGKKOBSA-N 406.530 3.845 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O[C@@H](C)CN(C)C)cc1 96932207 AYZGFAJCOVMXLA-CDSRXRBVSA-N 421.541 3.894 0 1 HHAF O=C(COc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1ccc(F)cc1 100624452 HCULVCZZLOBHCK-HUCDYXQFSA-N 417.436 3.645 0 1 HHAF O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2cc(O)ccc2oc1=O 103276755 FJZPZKMHBIHIKE-UHFFFAOYSA-N 406.482 3.531 0 1 HHAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 103887813 OMEBNBHRZZFTLC-LJQANCHMSA-N 421.456 3.786 0 1 HHAF COc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)c2c(C3CC3)nn(C)c2n1 117511727 QXVOQEVRXUTGSY-KUHUBIRLSA-N 420.513 3.734 0 1 HHAF CC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)c(Cl)c3)cnc2N)nn1 142659171 NTYQUUSEPDYJKL-UHFFFAOYSA-N 412.925 3.656 0 1 HHAF C[C@@H]1CCC[C@H](N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 148605068 YLFKDWKDFAXSHQ-QYZOEREBSA-N 414.571 3.996 0 1 HHAF Cc1ccc(C2=NN[C@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 169327201 GJXRCQUWMGJZHI-DJSGYFEHSA-N 400.326 3.906 0 1 HHAF CC(C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)C(C)C 169350755 CIVSJMYWHIZNJZ-OALUTQOASA-N 402.443 3.772 0 1 HHAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(N2C=CCC=N2)c2ccccc12 169723846 GPWYRTFLAXDUOJ-GOSISDBHSA-N 412.497 3.690 0 1 HHAF C[C@@H]1C(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1(C)C 221602546 YAVRAYWOWWNCNR-CYBMUJFWSA-N 419.456 3.671 0 1 HHAF O[C@@H]1C[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 586902693 LZERBHJACBMEMD-GXSJLCMTSA-N 411.630 3.785 0 1 HHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)c(C)nc3[nH]2)c1 586930294 JLOVWWWZMJZOJW-UHFFFAOYSA-N 423.336 3.726 0 1 HHAF Cc1ccc2c(ccc3[nH]c(-c4ccc(S(=O)(=O)NC[C@H]5CCCO5)cc4)nc32)n1 586946812 QDHYLCRRWFACSF-MRXNPFEDSA-N 422.510 3.544 0 1 HHAF Cc1ccc2c3c(c4c(nc13)-c1cc(C(N)=O)c(O)nc1CC4)-c1ccccc1C2=O 586995581 INEFPTJMHPWPAG-UHFFFAOYSA-N 407.429 3.720 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 587125354 DPKWWEIVNGXZTG-LDWIPMOCSA-N 401.190 3.891 0 1 HHAF COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1OCC(=O)NC(C)C 587223159 MJIINSKWKPKEFB-UHFFFAOYSA-N 409.273 3.844 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1cc(O)c(C)c2O 587402730 BTDQTIFOFDIHLD-DEOSSOPVSA-N 401.418 3.750 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1c[nH]c3ccccc13)CC2=O 587484415 OWWVMRWJBHXUKA-DEOSSOPVSA-N 421.449 3.819 0 1 HHAF O=C([C@H]1COc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657145 WZTGBDQADORWBC-HXUWFJFHSA-N 420.371 3.822 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 587758239 IDNNNGOMXHSFBH-HXPMCKFVSA-N 401.283 3.967 0 1 HHAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O 587791437 IKHFRRYBTUKGKJ-YPMLDQLKSA-N 424.266 3.684 0 1 HHAF Cc1cc(C)c([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587826092 KAFDDOXELHOICR-ZUOKHONESA-N 408.311 3.602 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 587840331 KHDPRDAWWZLDFJ-DYZYQPBXSA-N 413.312 3.583 0 1 HHAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN3CCOCC3)cc12 653723638 WMIIMMQKIICLMN-UHFFFAOYSA-N 422.525 3.886 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)s1 653864102 BXBPDAYTOBGSSU-UHFFFAOYSA-N 406.891 3.938 0 1 HHAF CS(=O)(=O)c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC1=O 914431330 MITGKKFYIJJQGL-UHFFFAOYSA-N 401.871 3.906 0 1 HHAF CCOC(=O)CCC[C@@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962896133 AHUKXQOISXBNEP-AVRDEDQJSA-N 421.415 3.680 0 1 HHAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(C(F)(F)F)c4)C3)ccc2n1 1857645305 DNSYGEFBGYIWPI-UHFFFAOYSA-N 400.404 3.884 0 1 HHAF CCOC(=O)C(C)(C)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1 1857655747 FHABWAHHBSKNOS-UHFFFAOYSA-N 417.527 3.502 0 1 HHAF O=C(Cc1ccccn1)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 1911586833 HLDKLFRSFPUGCL-LAYTVVDLSA-N 420.534 3.729 0 1 HHAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1C 2356443677 UBVIKYYTVFHBGN-ZMMDUFCOSA-N 416.470 3.810 0 1 HHAF COc1ccc2nc(C[C@@H]3CN(C(=O)Nc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356541965 JBMNMOLXHLJQAT-HZPDHXFCSA-N 422.485 3.759 0 1 HHAF Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 61923898 ORDMBNHJHVBOOO-VJBWXMMDSA-N 408.546 3.920 0 3 HHAF CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1 4875454 WHHCYTXTRQEVHJ-UHFFFAOYSA-N 403.939 3.604 0 1 HHAF CCOC(=O)[C@H]1CCCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)C1 9286746 JSYPPUSPBAXSCP-SFHVURJKSA-N 404.532 3.558 0 1 HHAF O=C1C[C@]2(CCc3ccccc32)C(=O)N1CC1CCN(CCc2ccccc2)CC1 13475707 OKBDKGHBTXQPPP-SANMLTNESA-N 402.538 3.584 0 1 HHAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccccc3OC)CC1)OCCC2 27737429 LDWWZLFQDGEPKI-DEOSSOPVSA-N 412.530 3.539 0 1 HHAF O=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1 28645506 VZGXJTZKPDEJGJ-UHFFFAOYSA-N 400.482 3.702 0 1 HHAF COc1ccc(-c2nc(C(N)=O)c(CN3CCCC3)o2)c2ccc(C(F)(F)F)nc12 28950210 LZJHPSQOCNOTAJ-UHFFFAOYSA-N 420.391 3.612 0 1 HHAF COc1ccc2c(c1-c1cc(NS(=O)(=O)c3ccc(C)cc3)ccc1N)OCO2 35000916 GMEKNNJZOGMAFC-UHFFFAOYSA-N 412.467 3.782 0 1 HHAF O=C(Nc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1ccc2c(c1)OCO2 40952677 GUHFKILYEZRVAS-UHFFFAOYSA-N 415.493 3.740 0 1 HHAF CCOC(=O)c1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1 66167182 JGRLFIKSGGTASH-UHFFFAOYSA-N 400.818 3.864 0 1 HHAF O=C1NC(=O)[C@](Cc2ccccc2)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)O1 71405030 ZSCARLZDNOPZLK-VWLOTQADSA-N 410.429 3.900 0 1 HHAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184773 NTQLHRXHYGQVMP-UHFFFAOYSA-N 420.904 3.895 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5cccnc45)ccc31)[C@@H]1CC[C@H](C2)N1 96175252 XDUOMJSWMCAUDX-QAPCUYQASA-N 403.507 3.909 0 1 HHAF O=C(NC[C@@H]1CN(c2ccc(N3CCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1 113086832 PTKUFCDBZCKBJW-GFCCVEGCSA-N 409.870 3.506 0 1 HHAF CC[C@@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C 137499772 BHFTXOUZXOEGLX-LLVKDONJSA-N 418.954 3.626 0 1 HHAF CCCS(=O)(=O)NCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 140761282 WECYLIIKCYSVQZ-FCHUYYIVSA-N 421.006 3.812 0 1 HHAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195398147 AGOMZXFWATVFOH-GJYPPUQNSA-N 407.520 3.515 0 1 HHAF COc1cc(-c2oc3c(OC)cc(C=O)cc3c2COC(C)=O)ccc1OC(C)=O 238767960 CNGYJVQXFQKXOK-UHFFFAOYSA-N 412.394 3.918 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 587381430 ITHZQYPGAZMTQW-SFHVURJKSA-N 404.388 3.731 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O 587439920 XQWMNUIDEMDSBG-AMBFMVRQSA-N 417.461 3.810 0 1 HHAF CN(C)C(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587568663 COJYADFAECOTRT-URXFXBBRSA-N 419.433 3.562 0 1 HHAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591930 IFFKKEDTJCPNQY-HYBUGGRVSA-N 402.402 3.982 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC2OCCO2)N1 587834096 PYFBQOARIPHXHR-ODXCJYRJSA-N 422.294 3.964 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 587839555 HPKSOWDXPNDKMF-QGHHPUGFSA-N 413.312 3.583 0 1 HHAF COc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3ncccc3N)cc1Cl)C2 653857021 LXZKLGATLUDYKW-UHFFFAOYSA-N 408.845 3.739 0 1 HHAF Cn1ccnc1[C@]1(c2cccc(N)c2)NC2(CC2)Cc2ccc(Br)cc21 961747051 FIGAWIDGARBTDY-OAQYLSRUSA-N 409.331 3.735 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(Cl)cc4[nH]ncc34)N12 962635419 IYEDEZPQEDRCML-DENIHFKCSA-N 406.873 3.953 0 1 HHAF Cc1nc2ccncc2cc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974957 LSAZCNQHXUGJQX-UZLBHIALSA-N 403.816 3.732 0 1 HHAF CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(NC2CNC2)o1 1772577753 MSYBJUYPFUYVJP-UHFFFAOYSA-N 422.518 3.689 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)COC3)cc21 1857581769 ZUPGZVPVOQJVEJ-UHFFFAOYSA-N 400.478 3.558 0 1 HHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc([C@]3(O)CCOC3)cc21 1857617734 WEBMCNMKCCZECH-VWLOTQADSA-N 414.505 3.948 0 1 HHAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCc2cc(F)cc(F)c2)cc1OC 2356302846 GHMXWHBHKHDKAR-LLVKDONJSA-N 418.396 3.620 0 1 HHAF CC(C=C[C@H](O)CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@H](C)[C@@H](O)C(C)=CC(C)C 2356350597 GADFOYPOADGIMS-KEZOAJOQSA-N 419.606 3.839 0 1 HHAF CC1=C2CC[C@@]3(C)[C@H]4[C@H](CC[C@@]23CN1C)[C@@]1(C)CC[C@H](N(C)C)[C@@H](C)[C@]1(O)C[C@H]4O 2356563467 FKTUIAROLJADNJ-YMTVTENLSA-N 416.650 3.881 0 1 HHAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCC(=O)OC 2356608803 ICEDJQYHANHREW-UFYCRDLUSA-N 409.567 3.709 0 1 HHAF O=S1(=O)c2ccc(Br)cc2N2CCC[C@H]2CN1Cc1ccccc1 61944801 OQBTVQKEKHPCPV-INIZCTEOSA-N 407.333 3.622 0 3 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)CC)c1 4055077 QXLZXGYEDCCVNH-LMNJBCLMSA-N 416.905 3.718 0 1 HHAF O=C(N1CCOCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F 13533105 AZPOPHJZULEYCZ-UHFFFAOYSA-N 406.817 3.553 0 1 HHAF O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)cc1)C1CC1 13859903 FQZYGNJVECNYLH-VXKWHMMOSA-N 410.558 3.914 0 1 HHAF COc1cc2nc(N3CCN(C)CC3)nc(Nc3cccc(Cl)c3)c2cc1OC 14944585 APICIERXNBVOHG-UHFFFAOYSA-N 413.909 3.796 0 1 HHAF O=C(NCc1ccccc1)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 15968361 VPYBFLRKPGJWAB-VWNXMTODSA-N 407.473 3.954 0 1 HHAF biogenic COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1C[C@H](C)C(=O)[C@H](C)C1)C(F)(F)F 34802044 FNAPHRONLYQVOG-MNVSYLFESA-N 419.459 3.952 0 1 HHAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(c1ccn(C)n1)C2 34805016 MLRHWBQYYDVLMQ-UHFFFAOYSA-N 402.285 3.716 0 1 HHAF O=C(/C=C/c1ccc(/C=C2\Oc3ccccc3NC2=O)s1)NCc1ccccn1 40863168 KPFQMALAMAGQMD-RBJTVHIQSA-N 403.463 3.845 0 1 HHAF Cc1cc(C(=O)NN2CCOCC2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12 43173680 YTWIMDDIONZBBG-UHFFFAOYSA-N 416.909 3.740 0 1 HHAF Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)ccc1CN1CCCCC1=O 53231173 MCPAGVLBVBGILQ-UHFFFAOYSA-N 400.954 3.513 0 1 HHAF Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CCCN2CCCC2=O)cc1 82179299 WSJHKMCCTNUOFA-UHFFFAOYSA-N 420.561 3.958 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2N2CCCCC2)C1 95565101 FOPZLJJUCKTTAY-UHFFFAOYSA-N 413.831 3.597 0 1 HHAF CCCNC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(OC)c4)cc3[C@@H]21 95664825 QMLUIJKIHSHMAW-UEVCKROQSA-N 409.530 3.656 0 1 HHAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95797562 SNBXOFNUQREFDT-GOTSBHOMSA-N 408.517 3.557 0 1 HHAF CCN(CC)C[C@@H](O)CN(Cc1ccccc1)Cc1cc2ccccc2nc1OC 96939074 AOAAHFSAHGOMGJ-HSZRJFAPSA-N 407.558 3.948 0 1 HHAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1OC 104115497 YOPSJSFIFAUHHY-XUMLYMLNSA-N 416.478 3.976 0 1 HHAF Cn1cc(-c2cnc3ccc(NC(=O)NCCCCc4ccccc4)nc3n2)cn1 169704081 HRZFVUBUANHQSK-UHFFFAOYSA-N 401.474 3.570 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1 169707062 NMYDKQHDBZVGMF-GOSISDBHSA-N 418.497 3.575 0 1 HHAF Cc1cnc(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1 199435536 NAXNIDHYOPWZOF-QGZVFWFLSA-N 409.559 3.690 0 1 HHAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)c(F)c(C(C)(C)C)n2)c1O 299831212 IZHZHPKZBOCYTK-UHFFFAOYSA-N 417.890 3.904 0 1 HHAF CCc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 586951150 JCRYZDUKAOKCEX-UHFFFAOYSA-N 420.332 3.996 0 1 HHAF COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587372918 BMTXCCLAGFDYSP-FQEVSTJZSA-N 422.264 3.877 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1cc(O)c(C)c2O 587402733 BTDQTIFOFDIHLD-XMMPIXPASA-N 401.418 3.750 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(I)cc1F)[C@@H](C2)C3=O 587428006 MOHAMYSKEMBZJP-YVEFUNNKSA-N 410.182 3.928 0 1 HHAF O=C1C[C@@](c2ccc(Br)s2)(C(O)O)Oc2c1ccc1c2CCCC1 587533135 UMZLULYWOKXNAQ-GOSISDBHSA-N 409.301 3.561 0 1 HHAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599493 XPJXVKRGBLJRBL-HCYUJWNOSA-N 416.429 3.985 0 1 HHAF O=C(Nc1ccc(F)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658351 MOPFWTDNTZQIGJ-UHFFFAOYSA-N 405.360 3.621 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)O)cc2)N1 587794180 OQJABSHPFACSSK-NSPYISDASA-N 408.267 3.849 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 587924358 UJJCBDTURLDNJK-CQSZACIVSA-N 423.560 3.906 0 1 HHAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21NCCc2cc3cccc(OC)c3nc21 963028061 BVOSESADGHHMPU-DEOSSOPVSA-N 419.481 3.522 0 1 HHAF COCCN[C@@H]1CCc2c(sc3ncn(Cc4cccc5ccccc45)c(=O)c23)C1 1772580701 YBAIFABIYYGTHZ-GOSISDBHSA-N 419.550 3.753 0 1 HHAF Oc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 1772619661 UUTWNAKPHRTMAJ-QFIPXVFZSA-N 405.494 3.720 0 1 HHAF CCN1CCc2c(sc(NC(=O)C3(c4ccc(Cl)cc4)CC3)c2C(N)=O)C1 1772628574 IKIGSOZCAMLEIY-UHFFFAOYSA-N 403.935 3.549 0 1 HHAF FC(F)(F)c1cnc(N2CC[C@H](NC(=S)Nc3cccnc3)C2)c(Cl)c1 1857618494 NUCDMXGDTQWXEU-LBPRGKRZSA-N 401.845 3.714 0 1 HHAF Cc1ccc(C)n1CCC(=O)NCC[C@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 2356493272 MZPRXARMMDHMTF-RBUKOAKNSA-N 422.566 3.643 0 1 HHAF C[C@@H]1CC[C@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@]1(C)CC[C@@H]1CO[C@@H](O)C1 2356697183 MDPCJYDWRZUJJR-CTOKKFBOSA-N 408.535 3.918 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1 4104582 RQEQFFTZDNRFTL-LADGPHEKSA-N 421.541 3.779 0 1 HHAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCOC)cc1 4207076 NMEOEYFCGCZBEO-PZJWPPBQSA-N 416.905 3.983 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCOCCO 4213652 JLVBAOBTPBRHLN-RTBURBONSA-N 414.905 3.618 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C 14927153 WQOZGNFAVRFSGE-JDMZJNBQSA-N 416.514 3.626 0 1 HHAF endogenous,in-man COc1ccc(C2=NN(CCCCCC(=O)O)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26571952 OTWDFHFFUNOBLA-IRXDYDNUSA-N 402.491 3.702 0 1 HHAF Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(NCCCN3CCOCC3)n2)cc1 28530645 RDOORFUTSXIYLQ-UHFFFAOYSA-N 404.514 3.959 0 1 HHAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3ccc(N)c(OC)c3)cc1N2 28710751 UKFROVUCAJTDIC-UHFFFAOYSA-N 403.438 3.969 0 1 HHAF CCOc1ccccc1CCN(C(=O)c1ccc(CN(CC)CC)cc1)[C@H]1CCNC1 28823639 QCKROCAKQPVWRJ-DEOSSOPVSA-N 423.601 3.974 0 1 HHAF COc1ccc(C)cc1NS(=O)(=O)c1cc(OC2CCNCC2)c2occc2c1 35067238 UPQJYTNALAIZCC-UHFFFAOYSA-N 416.499 3.681 0 1 HHAF investigational COCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccccc2)C2CC2)c1 58591973 OHDVTLOFJFECBS-LJQANCHMSA-N 400.950 3.838 0 1 HHAF c1cncc(CCNc2ncccc2-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1 66103561 CMVMGXYAHCMLRT-UHFFFAOYSA-N 402.414 3.654 0 1 HHAF CC(C)n1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205608 LBFKYEUGQRDDDA-IBGZPJMESA-N 424.545 3.537 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CC2CC2)[C@H](CO)N3C)c1 95878398 IIWHVAVRCQQMBD-OPHFCASCSA-N 406.526 3.863 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3cccnc3n2)n1 144858857 HVXDVWCUEKYMNN-LJQANCHMSA-N 415.453 3.812 0 1 HHAF COc1cc(-c2cn([C@@H]3CCc4ccccc4NC3=O)nn2)ccc1-n1cnc(C)c1 145977105 JEZPTRWWXISMOA-OAQYLSRUSA-N 414.469 3.574 0 1 HHAF CCCCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169358738 BARMHYIDIPSZOD-GJDPNALDSA-N 423.553 3.786 0 1 HHAF COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694963 FOVHZEYFEFEMLU-SJORKVTESA-N 412.511 3.701 0 1 HHAF CC(C)n1c(=O)nc(N[C@@H](C)c2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c1=O 200527646 AXDGKTCQGHHSCD-AWEZNQCLSA-N 416.884 4.000 0 1 HHAF O=S(=O)(c1cccc(Cl)c1)c1cnc2ccc(F)cc2c1N1CCOCC1 201535695 HOBBIDZUBHWVNL-UHFFFAOYSA-N 406.866 3.697 0 1 HHAF c1ccc2oc([C@@H]3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)nc2c1 205113551 DZQQUXBZHLGRGH-QGZVFWFLSA-N 415.497 3.992 0 1 HHAF COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccc(C)o5)c(=O)n4n3)ccc2c1 299854881 ANMPWKSABSVVFB-FAPYRAKZSA-N 417.490 3.914 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 586952311 ICOLKPCFOSGPHG-UHFFFAOYSA-N 420.760 3.898 0 1 HHAF CC(C)n1c(-c2nc3c(O)nncc3[nH]2)cc(Br)c1Br 587005546 ZJWQREVTSLUENY-UHFFFAOYSA-N 401.062 3.633 0 1 HHAF N=C(N)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028398 XPTALKYIOYYKSC-JVPBZIDWSA-N 407.543 3.983 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C 587238906 HHPSVHLADTWURW-FKWBGFQESA-N 407.902 3.513 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC(=O)[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587450113 DEHVJVXKDFLFNP-PZGSVQSZSA-N 414.413 3.747 0 1 HHAF COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587589862 AXCIBMKXOVVUMS-MYRUOYEDSA-N 402.402 3.910 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(CCC(=O)c3ccc(Cl)cc3)c(CC(=O)O)c2c1 587648811 HXSZGIRCNIQRQD-UHFFFAOYSA-N 419.886 3.667 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587744245 GPWMSLBFMZMIDB-APBUJDDRSA-N 405.315 3.711 0 1 HHAF Cc1c(O)ccc2c1[C@@](CCCCCC(=O)O)(c1cccc(F)c1)N[C@H](C(=O)O)C2 963468681 IKTXCSCTBSPWHO-FDDCHVKYSA-N 415.461 3.717 0 1 HHAF O=C(c1n[nH]c2c1CCN(CC1CC1)C2)N1CCC(c2cccc(F)c2Cl)CC1 1772629192 PQVZRIZWARODSS-UHFFFAOYSA-N 416.928 3.990 0 1 HHAF CCC(=O)N1CC[C@H](Oc2cnc3ccc(-c4ccc(OC)c(OC)c4)cc3n2)C1 1772653305 SOOIWWIBFDIDEP-KRWDZBQOSA-N 407.470 3.704 0 1 HHAF CC(C)(C)NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 95568231 GBBNXTIYVNUIFC-HXUWFJFHSA-N 402.454 3.556 0 3 HHAF CCCC(=O)OC[C@H]1CN([C@H](C)c2ccccc2)S(=O)(=O)c2c(F)cccc2O1 96021257 LRCRHIJVJJNXPH-NVXWUHKLSA-N 421.490 3.682 0 3 HHAF CCOc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)ccc1OC 769241 CQZGAVSGXQGNIC-QFIPXVFZSA-N 416.905 3.847 0 1 HHAF C[C@H]1CCC[C@@H](NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)[C@@H]1C 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1 HHAF Cc1cc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)nc(C)n1 95565373 GYSXSXWOROYAEH-UHFFFAOYSA-N 401.873 3.547 0 1 HHAF O=C(C1CCCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccc(F)cc1)C2 95796642 SGKIHBPJVSZXLM-XZOQPEGZSA-N 408.517 3.557 0 1 HHAF O=C(c1c(F)ccc(NS(=O)(=O)C2CCCCC2)c1F)c1c[nH]c2ncncc12 113487823 SASAAWYRQFDQHR-UHFFFAOYSA-N 420.441 3.542 0 1 HHAF NC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 113665992 DPVUBJDSIOOWGO-NRFANRHFSA-N 405.429 3.770 0 1 HHAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5ccnc(C#N)c5)cc34)ncn2)C[C@@H](C)O1 225567128 PKXCGFIZNXKKKR-GASCZTMLSA-N 411.469 3.567 0 1 HHAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 299884642 UELRQBVNZQLPNE-CWWINAKGSA-N 400.906 3.955 0 1 HHAF Cc1cc(C(=O)N2CCC3(CCN(C(=O)OCC(C)(C)C)C3)CC2)cc2c[nH]nc12 473146782 DHJDJBCHPIKMML-UHFFFAOYSA-N 412.534 3.982 0 1 HHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c1 586935526 IGOWSAWFXDDNBN-UHFFFAOYSA-N 404.439 3.857 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)nc2[nH]1 586937693 RTLLUIBKQHNNRI-INIZCTEOSA-N 404.561 3.656 0 1 HHAF COc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587169291 ATIHWAWIUPJORV-HXUWFJFHSA-N 411.458 3.779 0 1 HHAF CCOC(=O)[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333975 DISXTDCYXBHSHX-NZQKXSOJSA-N 407.397 3.744 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1N1CCOCC1)[C@@H](C2)C3=O 587445704 XOIWETDLLCZRAN-GAJHUEQPSA-N 402.450 3.569 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccn1)CC2 587581314 GWRKOSCOYFZDHN-OAQYLSRUSA-N 402.450 3.784 0 1 HHAF COCCN(C)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587741628 OEPXJPLPEUYJSZ-HXPMCKFVSA-N 408.315 3.689 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 587767098 IKWZADBDFQLNPD-ZUOKHONESA-N 403.295 3.750 0 1 HHAF CCCC(=O)C[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587795187 HVTRUKXFEVGYEG-ADLMAVQZSA-N 400.288 3.640 0 1 HHAF CCN(CC)CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653721782 XLNMSCQHNFGBNM-OAQYLSRUSA-N 403.482 3.813 0 1 HHAF CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)NCCc2ccc(O)cc21 963354655 XSNPYRGUCMOZQS-LJQANCHMSA-N 408.267 3.636 0 1 HHAF Brc1csc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)c1 1772573238 ZEORVPNTEZYZEW-UHFFFAOYSA-N 417.336 3.809 0 1 HHAF O=C([C@@H]1CCCN(c2ccc3nc(C4Cc5ccccc5C4)[nH]c3n2)C1)N1CCCC1 1772653796 ZVWFHPMBZFILPW-LJQANCHMSA-N 415.541 3.679 0 1 HHAF CC1(C)[C@@H](CNc2ccc(F)cc2OC(F)F)[C@@H]1c1ccc(S(N)(=O)=O)cc1 1857546280 JSBWHJBQMHGLNS-YOEHRIQHSA-N 414.449 3.926 0 1 HHAF O=C(NCCOc1ccc(Br)cc1)c1c(C2CC2)nc2ccc(F)cn12 1857565722 ZXXNOWZLKVDEQV-UHFFFAOYSA-N 418.266 3.922 0 1 HHAF C[C@@H](Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1)C(=O)O 1857754562 YBZZMPQWPYBANH-NSHDSACASA-N 406.360 3.891 0 1 HHAF CC(C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C[C@@H](C)CCCCCC(=O)O 2356431936 KUYFQMXHLKRNIU-JXFKEZNVSA-N 417.502 3.678 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2ccncc2F)CC[C@@]1(C)O 2356700191 BNYSVEDNJHIKLD-KCZVDYSFSA-N 419.566 3.901 0 1 HHAF COc1cc2c(cc1OC)[C@H]1C(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)O[C@@H]1CO2 3197725 MTTUVGLGBORPBI-RTBURBONSA-N 410.422 3.714 0 3 HHAF biogenic,in-vitro Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(=O)[nH]c4)cc3)sc2c1 8801802 KALOAZLRXMEBKH-UHFFFAOYSA-N 419.462 3.756 0 3 HHAF Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1[C@H](C)O 72141879 YTRVPPUKWMIOHN-OXMFBNLJSA-N 417.553 3.917 0 3 HHAF O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NC12CC3CC(CC(C3)C1)C2 13802820 YNPAKXJCEFCUJW-UHFFFAOYSA-N 416.997 3.730 0 1 HHAF CCCCN1CC(=O)N2[C@@H](c3ccc(C)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 26771662 PYHXNLHUWZDWGI-QPPBQGQZSA-N 401.510 3.961 0 1 HHAF biogenic CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C\c1ccc(OC)c(OC)c1 27631999 DSXUNBUSFDLNCL-NTMALXAHSA-N 415.442 3.550 0 1 HHAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CNCCCn1ccnc1 40880072 XHYHWSOJWFQKDA-UHFFFAOYSA-N 421.504 3.955 0 1 HHAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCCc3ccc(O)cc3)c2cc1OC 82128829 RMMIDKMBRITLPB-KRWDZBQOSA-N 424.501 3.598 0 1 HHAF COc1ccc(CC(=O)O)cc1C1=NCC(=O)N(Cc2ccccc2)c2ccccc21 84616135 VNYIESSUMLDRIN-UHFFFAOYSA-N 414.461 3.707 0 1 HHAF CC(=O)O[C@H]1CC2=C(COC2=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 85637680 ORQYKJCALNJXJR-VPOPLMJOSA-N 418.530 3.966 0 1 HHAF COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1cccc(Br)c1 95598273 HXHNBFNQCMIBKR-UHFFFAOYSA-N 417.259 3.803 0 1 HHAF C[C@]1(c2cc(Br)cc(NC(=O)c3ccccn3)c2)CCSC(N)=N1 96174371 VUGVQXNXILELRB-QGZVFWFLSA-N 405.321 3.763 0 1 HHAF CC(C)(C)CC(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167908089 KLWSKXPYDDGKGQ-UHFFFAOYSA-N 408.502 3.655 0 1 HHAF C[C@@](O)(COc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 211546196 RHCVZGQVLLSQNG-MRXNPFEDSA-N 420.290 3.660 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCC[C@H](N)C1)C(=O)N2 219396519 RKPWYUDCZHEUBU-CYFREDJKSA-N 402.498 3.577 0 1 HHAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@@H]3COCCO3)[nH]c12 586911435 YEYPMFPCVGVMSG-GFCCVEGCSA-N 423.366 3.931 0 1 HHAF N[C@@H](Cc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)C(=O)O 586986613 DJYGAFAQMBNVPJ-KRWDZBQOSA-N 410.429 3.773 0 1 HHAF C[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc(Cl)cn1 587080748 YHGJJABNKSBGCY-YFKPBYRVSA-N 405.481 3.942 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 587239081 HPJCEORJHIUOEK-UHFFFAOYSA-N 417.263 3.968 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 587327505 GUHHGEGBBCJEOJ-UGKGYDQZSA-N 414.816 3.750 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329827 AQUALELTUJSWMU-LADGPHEKSA-N 419.408 3.987 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(Cl)c1F 587572460 VEWFSKMQNYNXOY-VFNWGFHPSA-N 411.772 3.994 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cc(Br)cn2)N1 587684290 PFFKOBKFXMMTLN-RFAUZJTJSA-N 417.120 3.997 0 1 HHAF COC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795763 RMPGXCSWYQOWKR-WLRWDXFRSA-N 408.267 3.764 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2COC(=O)C2)N1 587836341 SURLHUAELVYEAL-UFAGZECESA-N 404.279 3.929 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962706723 OICCJYLQBXAAMM-AOMKIAJQSA-N 417.550 3.741 0 1 HHAF CN1CCc2c(Br)cccc2[C@@]1(C)c1cccc(N2C(=O)C=CC2=O)c1 963281642 UEDCSOPPSGYEFW-OAQYLSRUSA-N 411.299 3.630 0 1 HHAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F 1772601189 LRNLMCLJNYNJTQ-SJKOYZFVSA-N 405.901 3.905 0 1 HHAF COc1ccc(C(=O)N2CC[C@H](CC(=O)O)[C@H](Cc3nc4ccc(C)cc4[nH]3)C2)cc1 2356484680 DEUDXARZSTWKHL-QZTJIDSGSA-N 421.497 3.676 0 1 HHAF Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1 13864524 RZNOSQYKLNIZOW-UHFFFAOYSA-N 404.495 3.850 0 1 HHAF C[C@H]1[C@H](O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CC[C@H]1C2(C)C 27308298 WDCPKDGQHJWMLP-URLDNKFUSA-N 415.599 3.810 0 1 HHAF O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccc(F)cc2C1=O)c1ccccn1 28948845 YQBPEFYDKGHACA-UHFFFAOYSA-N 409.804 3.923 0 1 HHAF CC(=O)OC[C@@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]12 29042437 DVILVCNQCLDLLF-AZVAHTMASA-N 418.530 3.855 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccncc21 45321623 IBTHHRGURYDPKM-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO 95878708 IUDCWEZUNCWYDS-SNRMKQJTSA-N 419.294 3.602 0 1 HHAF CS(=O)(=O)c1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 98082301 JMDKUTQQCRLPKG-RTWAWAEBSA-N 411.454 3.765 0 1 HHAF CN([C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1 101403109 PYXREBXMIVNEAI-FYINFDKHSA-N 408.514 3.714 0 1 HHAF CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cc2NC1=O 143653017 XJFCPVMMOSFHRS-QGZVFWFLSA-N 416.428 3.987 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncnc(OCC4CC4)c3Cl)C2)cc1 149980014 HQZCCBXPHHPCAQ-ZDUSSCGKSA-N 400.910 3.720 0 1 HHAF O=C(O)c1cc(CC2=C[C@H](C(=O)O)C(=O)[C@@H](c3ccco3)C2)cc(-c2ccco2)c1O 169719941 JJFDMLSCPMXOIY-WBVHZDCISA-N 422.389 3.870 0 1 HHAF Cc1cc(C)cc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCOCC2)c1 201538954 DHYKWZWOAUIKEU-UHFFFAOYSA-N 400.475 3.660 0 1 HHAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(F)cn3)no2)n1 203004712 WOAOFEWTOGUVIY-UHFFFAOYSA-N 406.425 3.930 0 1 HHAF O=C(c1ccc(F)cc1)N1CCC([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 203788287 SBGDHJQZWJCENG-GGAORHGYSA-N 405.473 3.895 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc12 586950318 UNEQQKKINFQVOF-UHFFFAOYSA-N 422.466 3.521 0 1 HHAF O=[S@](Cc1nc2c(S)nc(S)nc2[nH]1)C(c1ccccc1)c1ccccc1 586959161 JACJAANHCFLDDY-HHHXNRCGSA-N 412.565 3.969 0 1 HHAF COc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(I)c1 587179657 FHDJPNWKDGTVGP-UHFFFAOYSA-N 421.238 3.545 0 1 HHAF O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587378394 UYQHXKUCEGOFSZ-IFMALSPDSA-N 410.422 3.573 0 1 HHAF CCNC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587510478 HJEPWXOJJXUHNP-OAQYLSRUSA-N 409.482 3.795 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C2=O)N1 587766161 FWSDEGUPJQOBLH-RBZFPXEDSA-N 403.295 3.750 0 1 HHAF COC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587797971 WTQKUHDZGHTOFM-FKIZINRSSA-N 422.294 3.938 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 587799844 ZDHWJXRGYMTJFX-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF CCOC(=O)C[C@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587853501 NNIAHQNQBSLOTM-QGHHPUGFSA-N 413.312 3.776 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(S(C)(=O)=O)cc1 587863646 OTJXEXMNQNJZNN-UHFFFAOYSA-N 424.400 3.670 0 1 HHAF CCOC(=O)C[C@]1(c2cccc(F)c2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962568951 LUUSSFPYCCBEED-WNSKOXEYSA-N 401.478 3.916 0 1 HHAF CCCc1nnc(-c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)o1 963227763 RCDIOQLFNURSDU-IRLDBZIGSA-N 414.465 3.926 0 1 HHAF Cc1c(O)ccc2c1[C@@H](c1cc(C(F)(F)F)nc3ccccc13)N[C@H](C(=O)O)C2 963487872 FDYCXYMFKYUOBI-HNAYVOBHSA-N 402.372 3.956 0 1 HHAF CN1CCc2cnn(C)c2[C@@]1(C)c1ccccc1Oc1nccc(C(F)(F)F)n1 963953966 DWOWEWBNOQOESS-LJQANCHMSA-N 403.408 3.773 0 1 HHAF CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN(C)c2ccccc2)cc1 2356819475 FCAWDWYSBDZJHY-PQNGQFLHSA-N 420.557 3.858 0 1 HHAF CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 1836888 VOGCMEWLCBQHHN-MSOLQXFVSA-N 424.478 3.908 0 1 HHAF CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 4969171 WVBWCPVRUVDAGW-UHFFFAOYSA-N 400.544 3.977 0 1 HHAF COc1ccc(C2=NN(CC(=O)c3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474097 HMKJSFGZWJJYNY-RBUKOAKNSA-N 406.482 3.939 0 1 HHAF N=C(N)c1ccc2[nH]c(C(=O)NCCCC[C@H](CC(=O)O)c3ccccc3)cc2c1 13764961 OSYQXOPSFUKBRP-MRXNPFEDSA-N 406.486 3.611 0 1 HHAF Cc1cc(C)cc(-n2ccn3c(CCC(=O)Nc4cccc(Cl)c4)nnc3c2=O)c1 15736320 JUVPJYGITXZEQM-UHFFFAOYSA-N 421.888 3.722 0 1 HHAF CCOC(=O)CN(C(=O)c1cc(Cl)cc(Cl)c1OC(C)=O)C1CCCC1 26989192 AUVMFCUCGBZZPS-UHFFFAOYSA-N 402.274 3.867 0 1 HHAF O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccccc4F)ccc31)CCCC2 28133363 QGIZSSNYAXTBSZ-UHFFFAOYSA-N 416.474 3.935 0 1 HHAF Cc1ccccc1CN(C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C(C)C 40916310 GYFHJKQNXMCYQU-QFIPXVFZSA-N 400.473 3.663 0 1 HHAF COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1 70459602 UCLCHQPCYQKOKG-NRFANRHFSA-N 407.495 3.698 0 1 HHAF COc1cc2c(cc1O)[C@H](CCc1cc(OC)c(OC)c(OC)c1)N(C(C)=O)CC2 84655072 IPYFDSZQOXWBTE-SFHVURJKSA-N 415.486 3.505 0 1 HHAF O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCn2c(Br)nnc2C1 95565670 RIQDJVYIKRTJSB-UHFFFAOYSA-N 410.486 3.657 0 1 HHAF O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(Cl)c1 95663924 IBOMDJXDECXQMM-RXVVDRJESA-N 410.905 3.568 0 1 HHAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N3C(=O)CC[C@H]3C)c2)nc1 113542634 NIQKZMYPMHVWAW-QGZVFWFLSA-N 415.497 3.601 0 1 HHAF Cc1ncc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1 203006195 ULGSQWCTRZIWSZ-UHFFFAOYSA-N 406.313 3.960 0 1 HHAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nc(Cl)cnc3Br)nc1-2 587005897 YNYOKOHBUYLWAU-UHFFFAOYSA-N 413.972 3.850 0 1 HHAF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587010873 FFSNBHVVIGFKRZ-UHFFFAOYSA-N 412.540 3.836 0 1 HHAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1CC(=O)OCC)-c1ccccc1C3=O 587096187 AQAWQXGLEODANT-UHFFFAOYSA-N 417.461 3.966 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(Br)c1N)[C@@H](C2)C3=O 587414588 WILMKEGLILGRQE-BUXKBTBVSA-N 404.260 3.711 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1C[C@H]1C(=O)O 587606766 GBTCOOBVWRBBPR-UDABPDOUSA-N 402.402 3.970 0 1 HHAF O=C(c1ccc2nccnc2c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655959 JGKFCQQLEYBNPH-UHFFFAOYSA-N 414.371 3.973 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760425 YRYOJDDERIXUHB-QGUCAZSISA-N 421.358 3.792 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN2C(=O)COc3ccccc32)N1 587770325 PUZMBULFOQMFCU-RISCZKNCSA-N 405.267 3.589 0 1 HHAF CCOC(=O)C[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775319 ZDGDYCGMPVLCRR-CWTRNNRKSA-N 407.283 3.714 0 1 HHAF CC(=O)[C@@H]1C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822871 MZVCPLKZBTVWMP-OJTOOCJTSA-N 402.263 3.768 0 1 HHAF COC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868404 MOGDROZBCYIFGN-UHFFFAOYSA-N 412.755 3.797 0 1 HHAF Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@@H]1C[C@H]1CO 653847609 CEYYRHMGNJNJEA-WCQYABFASA-N 412.408 3.909 0 1 HHAF CCn1nc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c2ccccc21 962665151 LBXUWNOTMHDZHO-ZJSXRUAMSA-N 400.482 3.792 0 1 HHAF CCCNS(=O)(=O)c1ccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963096646 FVNACZFKEOUSMJ-SIKLNZKXSA-N 402.535 3.798 0 1 HHAF CC(C)=C1Oc2c(ccc(O)c2C)[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963222033 GFFUSCLUEZDHPA-DVECYGJZSA-N 402.450 3.778 0 1 HHAF CNCC[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]1)c1nc(C)c(CO)s1 1772575379 VMRGIDTZAQRMHU-QGZVFWFLSA-N 418.950 3.673 0 1 HHAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)nc3)C2)cc1 1772611808 DMQVNWDVOCKZFK-HTAPYJJXSA-N 409.530 3.768 0 1 HHAF Cc1c(Cl)c2nnc(C)n2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 1857614884 NWCNTZHOXRNLCM-UHFFFAOYSA-N 411.918 3.694 0 1 HHAF CCCSc1nc(N2CCN(CC)CC2)c2[nH]c(=Nc3ccccc3)sc2n1 1857654790 NDBGOYLFMUSGCV-UHFFFAOYSA-N 414.604 3.896 0 1 HHAF C[C@@H](C=C[C@@H](C)CO)[C@@H]1C[C@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356654126 OJUYKMCASYNMLF-CXEPSIJMSA-N 420.634 3.769 0 1 HHAF Cn1c(O)c(C(=O)C[C@@H](Nc2ccc(N)cc2)c2ccco2)c(=O)c2ccccc21 3846478 HFSGFKFTQZQSTI-QGZVFWFLSA-N 403.438 3.846 0 1 HHAF biogenic COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)c1OC 4052807 RZFGUUQDDWJGPM-NZQKXSOJSA-N 420.465 3.748 0 1 HHAF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206007 OQQWUYHRAIBGEQ-ICSRJNTNSA-N 401.894 3.627 0 1 HHAF O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066849 UBLIWFWZNLJJBM-KRWDZBQOSA-N 415.902 3.680 0 1 HHAF aggregator COc1ccc(C[C@H]2C3=C(CCN2C(=O)C2CCC2)CC2(CC3)OCCO2)cc1O 6040599 FULWIOLQMIUKPJ-FQEVSTJZSA-N 413.514 3.568 0 1 HHAF Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2ccccc2C)C3)n1 11977547 PEOPSTXZIHJRGF-HXUWFJFHSA-N 405.473 3.870 0 1 HHAF CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[C@@H]2CCCN(C(=N)N)C2)cc1 13558003 FGEREYFDTXCNSI-QGZVFWFLSA-N 421.545 3.780 0 1 HHAF CCN(CC)c1ccccc1C[S@@](=O)c1nc2c(n1Cc1ccccn1)CCC2 13746332 YPHVYDHFJANTEX-LJAQVGFWSA-N 408.571 3.969 0 1 HHAF C[C@@H]1CC[C@]2(COC(=O)CC(=O)O)C(CO)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 15155350 IVLSJOYTYVWEHN-BWPZPKMVSA-N 404.503 3.981 0 1 HHAF biogenic COC(=O)C[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC)c(C(=O)OC)cc3C=C[C@@H]21 27524421 RNALBLWLIJHISG-SXSPYAJSSA-N 400.471 3.914 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)C2=C3N=CC=C[C@H]3CC=C2)CC[C@H]1F 28230906 SPLAOXKRNWSSAA-NONIMDLQSA-N 422.522 3.652 0 1 HHAF C/C(=C\COc1ccc2ccc(=O)oc2c1)CC/C=C(\C)C[C@H](O)[C@@H](O)C(C)(C)O 31168058 PWGFIVDGCMQGCD-FAWRFFSBSA-N 416.514 3.727 0 1 HHAF O=S(=O)(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1cccc(F)c1 45338343 HAEAMTDLOHGSPB-OAHLLOKOSA-N 405.882 3.585 0 1 HHAF C[C@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc2ccccc2c1 45385736 MFBRVGWZBCQSSV-HXUWFJFHSA-N 423.582 3.719 0 1 HHAF Cc1nccc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1 72315848 FZQUKVZXGCXGMW-UHFFFAOYSA-N 416.529 3.882 0 1 HHAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc(C)c2)C1 82145551 XQIGPIQCAMJEDL-RBUKOAKNSA-N 408.546 3.939 0 1 HHAF Cc1cc2oc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c(C)c1O 84653315 DPCWTAKXOUYAHI-UHFFFAOYSA-N 404.474 3.582 0 1 HHAF O=S(=O)(Cc1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100093681 WUUAMUMXNFOEMN-UBRQYEGLSA-N 404.535 3.623 0 1 HHAF OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccccc2F)cc1 103233303 OBQOXFSFXDYXRQ-UHFFFAOYSA-N 404.489 3.913 0 1 HHAF CCOc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1OC 104060244 MNEJLBKEYPTJAC-WOOAAIBNSA-N 413.478 3.895 0 1 HHAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N3C(=O)CC[C@@H]3C)c2)nc1 113542635 NIQKZMYPMHVWAW-KRWDZBQOSA-N 415.497 3.601 0 1 HHAF Cc1ccc(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)nc1 144515408 PKRAVRBVQBLCSC-UHFFFAOYSA-N 402.487 3.922 0 1 HHAF CC[C@H]1O[C@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 169290786 GZTRBGOKFUFZBR-PUQRQZBJSA-N 416.514 3.657 0 1 HHAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 169329599 ZOEXYEMQSFTACS-VABKMULXSA-N 408.546 3.920 0 1 HHAF COc1cc(/C=C/c2nc3ccc(S(C)(=O)=O)cc3[nH]2)ccc1Br 586976664 GVMJSUAVIZADQQ-XBXARRHUSA-N 407.289 3.908 0 1 HHAF NC(=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 587053610 DRRQFUYPQCNJIX-UHFFFAOYSA-N 413.264 3.846 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2nc[nH]n2)o1 587614692 ULIOZEXIQOFQPN-QFBILLFUSA-N 407.407 3.957 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cn2)N1 587678883 DJAHBTWKBXLQFV-AYVTZFPOSA-N 415.104 3.938 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742391 RCRXGZYCYWWNAZ-MPBGBICISA-N 421.310 3.679 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 587836502 VZTMBKIVUFXGBI-DQNAHFDYSA-N 420.278 3.906 0 1 HHAF C[C@@H]1CN(c2ccc(C(=N)N)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653737648 OOHQSFLVZSYOOH-GOSISDBHSA-N 405.546 3.513 0 1 HHAF COc1ccc2c(c1OC)[C@H](CCN(C)C(=O)OC(C)(C)C)NCC21CCOCC1 963190699 NVVNFTHVWKWATK-KRWDZBQOSA-N 420.550 3.653 0 1 HHAF Cc1ccc2c(c1)cc([C@H]1CC(c3ccc(Cl)cc3)=NN1C(N)=S)c1nnnn12 1857558169 PAWHGXJEUOLJDS-GOSISDBHSA-N 421.917 3.634 0 1 HHAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cc1 2356299215 BYVGVSJOFJJLNP-GGAORHGYSA-N 415.493 3.659 0 1 HHAF CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](SCCN)C[C@H]1[C@@H]2C(=O)OC 2356498446 AICWVYNHUHODST-SEVLPDGMSA-N 413.587 3.513 0 1 HHAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)COc1ccccc1 61908754 YYDGAWIITBZHPX-UHFFFAOYSA-N 423.513 3.933 0 3 HHAF Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3ccc(C(C)C)cc3)OC2=NC1=O 205219743 OQDOIRDIXGESFA-UHFFFAOYSA-N 423.473 3.519 0 3 HHAF CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 26771902 HTBWBIHOCOVAKE-APBUJDDRSA-N 413.470 3.931 0 1 HHAF biogenic COc1ccc2c(c1)-c1nc3cc(OC)c(OC)c4c3c(c1CC2)CCN4C(C)=O 28016503 DQEMEXUEEAPRBK-UHFFFAOYSA-N 404.466 3.935 0 1 HHAF CC(C)COc1cc(Cl)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 66251094 TUHWUAWLPHDANB-UHFFFAOYSA-N 409.958 3.739 0 1 HHAF CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1C 72106046 DZXKVXJDTRYAHP-UHFFFAOYSA-N 418.501 3.930 0 1 HHAF COc1cc(C(=O)c2sc(N(C)Cc3ccccc3)nc2N)cc(OC)c1OC 73141837 JZEVLRBHKINFGN-UHFFFAOYSA-N 413.499 3.619 0 1 HHAF CC(C)CCN(C)Cc1cn([C@H]2CCCC[C@@H]2OC(=O)COc2ccccc2)nn1 73198553 HTVHDDRYSONDKD-VXKWHMMOSA-N 414.550 3.862 0 1 HHAF COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(C)cc5s4)C[C@H]3C2)c(OC)c1 116827171 LYNLZOHBLSXUEN-IYBDPMFKSA-N 423.538 3.830 0 1 HHAF COC(=O)[C@H](C)Nc1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 142470255 WCRBNOREWVLNLP-LBPRGKRZSA-N 411.389 3.747 0 1 HHAF C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c1nnc2N1CCN(C)CC1 169316126 YNBQHRCQXXKCJH-HNNXBMFYSA-N 406.921 3.585 0 1 HHAF Cc1ccc(NC(=O)C2CC2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1 169353152 CTRUSOJTCSTNJU-UHFFFAOYSA-N 402.458 3.712 0 1 HHAF COc1ccc(/C=C\C[C@@H](c2ccc(OC)c(OC)c2)[C@@H](O)CCO)cc1OC 238788885 HXCGBYDGJKYLDZ-DSQZMVHQSA-N 402.487 3.651 0 1 HHAF CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCCC(=O)O)n2C)ccn1 299858513 DQAXOJBNTQVNHJ-UHFFFAOYSA-N 414.462 3.813 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 587040802 CDPSPMSRJRTDDX-KRWDZBQOSA-N 415.446 3.687 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(Br)cnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O 587412577 IYPNMEFSGPXJNS-ODYMNIRHSA-N 419.275 3.842 0 1 HHAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O 587417750 PTWCNFUXFBPNPL-ATALHKJDSA-N 415.287 3.571 0 1 HHAF CCO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC 587707837 XLYFWYAQVHJHED-AMSYEBOYSA-N 411.237 3.977 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(=O)n(C)c2ccccc12 587869845 PCYBOPVXAYCWER-UHFFFAOYSA-N 400.360 3.814 0 1 HHAF Cc1c(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)c(=O)n(-c2ccccc2)n1C 587876845 ULZSBMLFVOVXEJ-UHFFFAOYSA-N 421.457 3.838 0 1 HHAF O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O)N1Cc2ccccc2C1 653674082 XAWMWRRMUXYKPC-UHFFFAOYSA-N 414.461 3.847 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@@](Cc2ccncn2)(c2ccc(F)cc2)N1)C(F)(F)F 962728592 FJVOTXIGWYIBAV-TZIWHRDSSA-N 415.390 3.748 0 1 HHAF COc1cccc([C@]2(c3ccccc3F)NC[C@H]3CC(=O)N(C)c4cccc2c43)n1 963023650 KJAUIXWTUJMIGS-OYLFLEFRSA-N 403.457 3.575 0 1 HHAF Cc1nnc2n1-c1ccc(-c3ccc(=N)[nH]c3)cc1[C@@H](Nc1cccc(CO)c1)CC2 1857564805 QVNRJIFJKAFCPD-NRFANRHFSA-N 412.497 3.642 0 1 HHAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/C1=C(Cl)c2ccccc2CC1 1857585901 XKTWTQZJMZAVMQ-YPNIWSFNSA-N 411.885 3.745 0 1 HHAF Cc1ccc(C(=O)NC2CCN(c3nccc(=Nc4ccccc4C)[nH]3)CC2)cc1 1857637546 LFLBLPFJGOWGOX-UHFFFAOYSA-N 401.514 3.658 0 1 HHAF CC(=O)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]21C 2356594867 KESIEKDTUBPOJW-UEVCKROQSA-N 400.471 3.948 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@H](C(C)=O)[C@H](N4CC4)C[C@H]32)C1 3954271 WRCFYFRXAYMSAE-RWVFOLJUSA-N 415.574 3.639 0 3 HHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC/C=C/c1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 13447531 UASJKQINROBGIC-ZJZQDKMJSA-N 405.494 3.951 0 1 HHAF C[C@H]1C[C@H]1Cn1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O 13487677 QIJCIOJDEAVNCZ-YOEHRIQHSA-N 412.486 3.776 0 1 HHAF N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccc(C#N)c3)c2=O)cc1 25434719 XFUSRFXWPWRMGR-KNQAVFIVSA-N 420.472 3.518 0 1 HHAF biogenic CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1)C(=O)O 26480764 JARCLKXJFZURIW-SFHVURJKSA-N 400.406 3.875 0 1 HHAF CCCCCOc1ccc(C[C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C(=O)O)cc1 27852618 INZBWOZGRNRXIM-YJBOKZPZSA-N 402.318 3.951 0 1 HHAF COc1ccc(CCC(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)c(OC)c1 28759433 NDSBGAGYPKLWDO-UHFFFAOYSA-N 424.497 3.784 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@@](C)(c3ccccc3)C[C@@H]2C1 29415306 CNZZVIOBKWRMHA-QQMNAOGKSA-N 413.949 3.855 0 1 HHAF Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)C2C(=N)N(C)C(=O)N(C)C2=N)cc1 58603791 SHVJLUIJQOEGRY-QSVWIEALSA-N 418.497 3.943 0 1 HHAF Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 72136439 ORDMBNHJHVBOOO-ZRBLBEILSA-N 408.546 3.920 0 1 HHAF Cc1oc(-c2ccccc2S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)CCC2 72181364 CHBTYOXHHQAVCJ-UHFFFAOYSA-N 402.497 3.856 0 1 HHAF CCC(=O)c1cc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cs1 72183354 SYHWIMVHWVXBDN-JOCHJYFZSA-N 422.485 3.572 0 1 HHAF CC[C@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82207987 UMWQMPSWAUIEBD-ZDUSSCGKSA-N 411.333 3.637 0 1 HHAF Cn1nc(C(N)=O)c2c(NCCCCCCOc3ccccc3)c3c(nc21)CCCC3 84714613 RUJVXQCLRQRNOX-UHFFFAOYSA-N 421.545 3.997 0 1 HHAF C[C@@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1 84728808 DFUOBKYLMRGDDC-OAHLLOKOSA-N 420.538 3.795 0 1 HHAF CN(C)Cc1ccc(N(C)C(=O)Cn2c(=O)oc3ccc(-c4ccccc4)cc32)cc1 84732544 XXEKHXBVDXSDMR-UHFFFAOYSA-N 415.493 3.986 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccc(F)cc54)ccc31)[C@H]1CC[C@@H](C2)N1 96175175 LJWJHWJGSWSNNT-MAUKXSAKSA-N 409.486 3.858 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4cc(F)c5ccccc54)ccc31)[C@@H]1CC[C@H](C2)N1 96175282 ZQLSMXSBVUVKMZ-ACJLOTCBSA-N 409.486 3.858 0 1 HHAF CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(C)cc23)[C@H]1c1ccccc1Cl 103202805 YQCUKJKAVAZPNG-MRXNPFEDSA-N 410.857 3.748 0 1 HHAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 138839811 DDVBPZROPPMBLW-FNCFNYNHSA-N 421.559 3.860 0 1 HHAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1CCn1cccn1 206205325 JESDSBCOTISVEB-UHFFFAOYSA-N 417.387 3.984 0 1 HHAF O=C(Nc1nc2ccccc2s1)c1ccc(-c2ncc(C[C@H](O)CO)cc2F)cc1 207224453 AMBUADZXQKAOQQ-INIZCTEOSA-N 423.469 3.645 0 1 HHAF N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3)Cc1ccccc1 223659614 QXNSDPYYBICYLJ-QGZVFWFLSA-N 417.538 3.808 0 1 HHAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 586953780 ZMMAONVPHHZRGT-UHFFFAOYSA-N 422.295 3.602 0 1 HHAF N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1 586998074 XAFRWQBOLYRZMF-SNVBAGLBSA-N 414.076 3.865 0 1 HHAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cnnc(O)c4[nH]3)c(Cl)cc12 587078577 WJASSXITBFUSID-SECBINFHSA-N 400.822 3.911 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1)c1cc(F)ccc1F 587139947 BCLSVWPIJWNYFJ-UHFFFAOYSA-N 421.816 3.704 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4c(C(=O)O)noc4C)c1)[C@@H](C2)C3=O 587434898 AGWVSJTYCRSQJS-KSFYIVLOSA-N 421.405 3.758 0 1 HHAF CCn1nccc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578664 AYUAQGVNIHCATF-GLKBCMMNSA-N 405.454 3.541 0 1 HHAF C[C@]1(c2cccc(OCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597479 UUMXJJGJTNGOCS-NZQKXSOJSA-N 406.390 3.733 0 1 HHAF COC(=O)[C@@]1(Cc2c(C)[nH]c3cc(F)ccc23)CN(C(=O)OC(C)(C)C)CCC1=O 587636681 CJYGUQGZNLDDOA-QFIPXVFZSA-N 418.465 3.527 0 1 HHAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC(F)CC2)cn1 1772573115 IXVNCKSUHHDFEP-QGZVFWFLSA-N 411.308 3.997 0 1 HHAF CCCCOc1cc(C(=O)O)c(O)c(I)c1-n1cccc1 1857749633 JDSAVJOLSIWVGB-UHFFFAOYSA-N 401.200 3.665 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@@H]21)C3 2356653258 HRIGHPKJBOCXKN-OAQXCZEZSA-N 412.618 3.661 0 1 HHAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 95568093 IRHFOMHRPKBSOF-QHCPKHFHSA-N 422.552 3.910 0 3 HHAF Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199206861 KNCWCQSKISPSBT-QHCPKHFHSA-N 401.466 3.799 0 3 HHAF CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2OC)C1=O 6203718 KSHLUICKJJRHAZ-HYBUGGRVSA-N 417.509 3.662 0 1 HHAF biogenic Cc1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O 13641545 BTIKBNRXWBVMSS-UHFFFAOYSA-N 418.545 3.677 0 1 HHAF CN(C)c1ccccc1C[S@](=O)c1nccn1-c1cc(OCC(F)(F)F)ccn1 13746111 LAFXTODWQLJDHM-GDLZYMKVSA-N 424.448 3.582 0 1 HHAF Fc1cccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c1F 21262022 VFSANMQLPHBPQV-UHFFFAOYSA-N 410.424 3.828 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 26391157 SZDSCLOAPYDVBU-JCFDQRDYSA-N 402.579 3.513 0 1 HHAF CCCCOC(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)cc1 26821068 GLPMFMBNOSYHHW-SFHVURJKSA-N 403.523 3.756 0 1 HHAF COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CN(C)C)cc1 28521532 MGTZDWCGGNOFGL-UHFFFAOYSA-N 418.497 3.647 0 1 HHAF CCCN(CCCCN1C[C@H]2CCC[C@@H]2C1=O)[C@H]1COc2cccc(OC)c2C1 36187780 ZSCQNYLCSNCYIW-AQNXPRMDSA-N 400.563 3.749 0 1 HHAF COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCCN[C@H]3[C@H]2C1 70454057 FPUGEZQMCZNKFY-VUNWAWHJSA-N 423.509 3.877 0 1 HHAF biogenic,in-vitro CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]12 72108781 SOHZMYDQYSBSTF-AKWHDMJJSA-N 405.560 3.893 0 1 HHAF COc1cc2nc(N3CCOCC3)nc(NCCCc3ccccc3)c2cc1OC 82131882 KKAQABLJLOUUEQ-UHFFFAOYSA-N 408.502 3.528 0 1 HHAF COc1ccc(-c2nc(CSc3nc(N)cc(N)n3)c(C)s2)cc1OCCF 96283870 KKVXVGPJAGIJNR-UHFFFAOYSA-N 421.523 3.722 0 1 HHAF in-vitro CC(C)CNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922832 JUVQTBZTBXDQCO-UHFFFAOYSA-N 406.511 3.731 0 1 HHAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104005686 ZYPUMPCGYVCRIZ-BTYIYWSLSA-N 411.454 3.946 0 1 HHAF Nc1ncc(-c2ccc(NC(=O)c3ccc(I)cc3)cc2)[nH]1 299835969 XEODDPPQGLSTRX-UHFFFAOYSA-N 404.211 3.516 0 1 HHAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586984765 PINAVUAYSMBRPA-LBPRGKRZSA-N 411.662 3.933 0 1 HHAF Oc1nc(S)nc2[nH]c(COc3ccc4ccccc4c3Br)nc12 587000147 GHTHEYGFYZLVNL-UHFFFAOYSA-N 403.261 3.842 0 1 HHAF O=C(O)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000583 IAEZLNXUBZBUEH-SNAWJCMRSA-N 401.216 3.965 0 1 HHAF C[C@@H](O)c1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)s1 587022822 ZMGMARHLRRXLCO-SCSAIBSYSA-N 404.087 3.660 0 1 HHAF CCN1C(=O)C[C@@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@H]1c1ccccc1Cl 587062086 SFBCHXYCAZRFRL-RNCFNFMXSA-N 405.936 3.661 0 1 HHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587109378 NXFKRMMQOJCYKO-UHFFFAOYSA-N 405.376 3.779 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346269 JAEAMZVSMAXNPI-GREBRCKQSA-N 416.445 3.865 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(I)c(F)c1)[C@@H](C2)C3=O 587429633 WCASTAKIGGLIQO-GTNSWQLSSA-N 410.182 3.928 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(O)c(C(=O)OCC)cc31)CC2=O 587492114 WWYMFEJNBZECHD-HSZRJFAPSA-N 411.454 3.819 0 1 HHAF Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709211 JLNUSFJFPKRVSX-AYVTZFPOSA-N 406.221 3.970 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587769952 PBLFVEJKGYCSAS-GIPWTMENSA-N 417.278 3.784 0 1 HHAF CCOC(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587777417 HMNGBGNTBXZUID-CWTRNNRKSA-N 407.283 3.714 0 1 HHAF COc1ccc2c(c1)[C@@](C)([C@H]1C(=O)c3cccc4c3N(CC4)C1=O)N(C(C)C)CC2 962042667 JAYOAXFTYRDFTJ-OFVILXPXSA-N 404.510 3.579 0 1 HHAF CCc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183591 JOMDPIJDPQBUQT-KUHUBIRLSA-N 424.806 3.716 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CCOCC2)cc1F 1772601038 CXCZBWCPIJUCFH-UHFFFAOYSA-N 405.904 3.575 0 1 HHAF C=CC(=O)N1CCN(c2ncnc3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1 1857541312 PNYUIQVHHOUMPY-UHFFFAOYSA-N 412.852 3.630 0 1 HHAF COc1ccc2nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cn2n1 1857574713 JHWJIKWZGYRLLO-UHFFFAOYSA-N 404.392 3.777 0 1 HHAF C[C@H]1C[C@H](C)CN(C(=O)c2nsc3cc(N=c4[nH][nH]c5cccnc45)ccc23)C1 1857616070 ODXBCOYBIAXPCV-STQMWFEESA-N 406.515 3.851 0 1 HHAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1C1=C(Cl)c2ccc3ccccc3c2OC1 1911574763 ZAONMGYVDSQMBB-IBGZPJMESA-N 414.841 3.961 0 1 HHAF COC(=O)c1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 15068309 SDJSMQPEMBPLNZ-UHFFFAOYSA-N 410.518 3.636 0 3 HHAF O=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21 25426949 KVDBTBJQFSNUSX-UHFFFAOYSA-N 402.494 3.640 0 3 HHAF aggregator CCc1oc(-c2ccc(OC)cc2)c(C(=O)OCCCCCO)c1[C@H](C)OCCO 95604289 OPEWOUHUXFENJN-INIZCTEOSA-N 420.502 3.907 0 3 HHAF CC1(C)SCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 13759351 VHBJVHRRBQCXMZ-UHFFFAOYSA-N 415.525 3.919 0 1 HHAF Cc1ccc(NC(=O)Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(C)c1 18941294 CFPHJTPNWARPOA-UHFFFAOYSA-N 415.540 3.980 0 1 HHAF COc1cc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2N2CCCC2)cc(OC)c1OC 26832847 ZLRXOWWEHKSJGC-OALUTQOASA-N 404.551 3.510 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1C(F)(F)F 28235615 GYTIIFYVPSIYGH-UHFFFAOYSA-N 415.843 3.811 0 1 HHAF O=c1[nH]c(CCCN2CC=C(c3ccc(-[n+]4ccccc4)cc3)CC2)nc2ccccc12 28457527 QBNUELPTRBGXCU-UHFFFAOYSA-O 423.540 3.922 0 1 HHAF Cn1cc(C2=C(c3cn([C@H]4CCCNC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 29125400 FHGAKABCWGURMG-INIZCTEOSA-N 424.504 3.625 0 1 HHAF O=c1ccn(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 35878963 FFJOPHQHIVRWNN-UHFFFAOYSA-N 411.505 3.508 0 1 HHAF in-vivo O=C(Nc1ccc2c(c1)CCN2[C@H]1CCN(Cc2ccc(O)cc2)C1)c1ccco1 45186574 ARSGDHYDLDDGFK-FQEVSTJZSA-N 403.482 3.875 0 1 HHAF COc1ccc2nc(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)c(OC)nc2c1 82158364 QWJAHMQPTCWSIB-UHFFFAOYSA-N 421.501 3.618 0 1 HHAF Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(F)c3)cc2)cc1 100106448 IDPWXRKXBLMZJQ-BKFWDETESA-N 422.525 3.930 0 1 HHAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104005694 ZYPUMPCGYVCRIZ-VFNWGFHPSA-N 411.454 3.946 0 1 HHAF CN1CC[C@H](N(C)C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146381295 ZCRUVXCLPLTGEX-IBGZPJMESA-N 407.587 3.963 0 1 HHAF CC[C@](C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)O 146748689 NXMYGAXOCIIGFJ-HSZRJFAPSA-N 419.437 3.835 0 1 HHAF CN(c1ncc(Cl)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203541261 KEBFQSMUYZWMIG-CYBMUJFWSA-N 405.285 3.816 0 1 HHAF Cc1nc(CNc2nc(-n3ncc4ccccc43)nc(N)c2Br)cs1 217073541 XNPFGZDYCMIIFM-UHFFFAOYSA-N 416.308 3.537 0 1 HHAF COc1nc(C)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225087375 GIHODWXWEVFRCP-UHFFFAOYSA-N 412.496 3.871 0 1 HHAF O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cn[nH]c3)cc1)CC2 299860847 HIAQMHVZDDLECY-UHFFFAOYSA-N 407.905 3.899 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)cc1 586930406 CVEYWWFAVYFMAE-UHFFFAOYSA-N 407.499 3.528 0 1 HHAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)cc(Br)c3[nH]2)CC1 586953580 VFARPHSKOPFPLG-UHFFFAOYSA-N 420.760 3.977 0 1 HHAF FC(F)(F)c1nn(Cc2nc3c(Br)ccnc3[nH]2)c2c1CCCC2 587120111 RMLSDCLQVWHIPL-UHFFFAOYSA-N 400.202 3.863 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163191 LZHGVFLKHKONGL-UHFFFAOYSA-N 423.469 3.850 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239126 IBXZDENXGLZXBQ-DKHZXNSXSA-N 407.902 3.561 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=COc2ccc(Br)cc21 587374854 ZNDBVNJBCBSYBR-IBGZPJMESA-N 416.227 3.561 0 1 HHAF O=C(O)CCCC1(CCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600487 BEAQUTWALYICID-IBGZPJMESA-N 414.410 3.602 0 1 HHAF Cc1noc2ncc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc12 587655889 HCWKGOLBAFOXGX-UHFFFAOYSA-N 418.359 3.875 0 1 HHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(O)c2ccccc2n1 587657070 SFEVCPMKQIHEPM-UHFFFAOYSA-N 402.360 3.980 0 1 HHAF COC(=O)CC[C@]1(c2ccccc2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 587744512 BYFFHFYVFIQSGI-FKIZINRSSA-N 421.310 3.901 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804127 AZTDJQFWBGCIHF-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1noc(C)n1 653853339 RDOXFGHLLUYIIL-UHFFFAOYSA-N 411.393 3.806 0 1 HHAF COc1ccc(OC)c([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c1 962667485 OCJGWULZRRAGHJ-RPWUZVMVSA-N 406.482 3.614 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)nc2)(c2ccccn2)N1 963238732 WFPQROLYZKGSKS-WMZHIEFXSA-N 416.868 3.569 0 1 HHAF Cn1cc(C2C3CC4CC(C3)CC2C4)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857548419 UARIXUNDPOKGDV-UHFFFAOYSA-N 412.555 3.940 0 1 HHAF C[C@@H]1O[C@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)C[C@@H](O)[C@@H]1O 2356327931 LLBLZMZQJRHFLN-ULTYPRKSSA-N 408.450 3.667 0 1 HHAF COc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)Nc3ccccc3)c2)cc1OC 205228576 BVEBWPNELDWFOP-UHFFFAOYSA-N 408.458 3.526 0 3 HHAF CCN(C(=O)C1=CCC[C@@H]1C(=O)NCc1ccc(C(=N)N)cc1)c1cccc(Cl)c1 13493913 BNBLNZMGTSOULS-IBGZPJMESA-N 424.932 3.630 0 1 HHAF CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 13588343 SDOFPSRFJIAYQA-UHFFFAOYSA-N 411.405 3.755 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN[C@H]4CC(=O)O)no2)cc1C#N 43206635 CVQSVTFJKLGTJR-IBGZPJMESA-N 418.453 3.724 0 1 HHAF COC(=O)C1(NC(=O)c2ccc(-n3nc(C)c(-c4ccccc4)c3N)cc2)CCCC1 45334463 QANJSNXXEOYLTL-UHFFFAOYSA-N 418.497 3.646 0 1 HHAF COCC(COC)N[C@@H]1NC(C)=Nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 49070823 ZKZULFXLHWYLCP-SFHVURJKSA-N 412.321 3.526 0 1 HHAF CCNC(=O)Nc1ccc2ncc(Nc3cc(C(=O)O)cc(C(F)(F)F)c3)nc2n1 143825627 MCCZLWHAVAVRTO-UHFFFAOYSA-N 420.351 3.627 0 1 HHAF O=C(Cc1cc(F)cc(F)c1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168188029 AIDYRUASWRAVAC-UHFFFAOYSA-N 409.436 3.699 0 1 HHAF CCNc1ncnc2c1c(-c1cnn(C)c1-c1ccc(C(F)(F)F)cc1)nn2C 169706125 FQYFLCVKLWNMLX-UHFFFAOYSA-N 401.396 3.881 0 1 HHAF Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(OC3CCC3)n2)n1 223517034 CGHJKDRDXVGUTJ-IAGOWNOFSA-N 415.501 3.763 0 1 HHAF C=C1C2=C(Cc3occc31)[C@@]1(C)[C@@H](OC(C)=O)CCC(C)(C)[C@]1(O)C[C@@H]2OC(C)=O 238761453 VBLHHNLILNJNIZ-NVXDSCFRSA-N 414.498 3.970 0 1 HHAF Cc1nc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3[C@@H](O)C4)cc2[nH]1 299822128 MMYUDUZZGYLGOO-FQEVSTJZSA-N 407.518 3.551 0 1 HHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586918353 XHUMZIRSXAFNAK-CYFREDJKSA-N 405.498 3.612 0 1 HHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)C(C)C 586932859 JZYODTXAQVGNGP-CQSZACIVSA-N 406.321 3.881 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2c1 587234460 MYMJUSSCYOQTKY-UHFFFAOYSA-N 408.296 3.654 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1 587238827 GCAMPVSJWCPGQM-UHFFFAOYSA-N 416.275 3.910 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OCc4cc(C(=O)O)no4)c1)[C@@H](C2)C3=O 587434860 ABPUGEAFHCNPLO-GAJHUEQPSA-N 421.405 3.623 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCNC(C)=O)c(OC)c1)CC2=O 587471301 QMPDMSABRJJKBV-OAQYLSRUSA-N 413.470 3.575 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc3c(cc12)OCO3 587606483 DFASBSRYVUAGHM-NZQKXSOJSA-N 404.374 3.761 0 1 HHAF O=C(O)c1ccc2c(c1)OC=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608024 IVWICIQATCBIFP-WMZHIEFXSA-N 402.358 3.854 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccoc3)c(=O)c3ccccc23)c(O)c1 587664175 CDADTRAMWVABBZ-UHFFFAOYSA-N 403.438 3.897 0 1 HHAF Fc1ccc(CN=c2nc(Oc3ccccc3)[nH]c3nc(-c4ccco4)nn23)cc1 653767915 OREYFLNDMNRUND-UHFFFAOYSA-N 402.389 3.745 0 1 HHAF O=C1C[C@H](c2c(F)cccc2Cl)C[C@@]2(C1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962902808 SVRXTLNGJLMNDB-OELQTJDKSA-N 405.828 3.949 0 1 HHAF COc1cc2c(cc1OC)[C@@]1(CC(=O)CC(C)(C)C1)N(C(=O)c1ccccc1N)CC2 963154733 MCPUNZPQMQVFFZ-VWLOTQADSA-N 422.525 3.959 0 1 HHAF O=C(c1cccc2nccn12)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 1772606004 IKWKSHFODDVFDP-GOSISDBHSA-N 408.408 3.811 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@H]2C(=O)OC[C@H]21 1772623678 PRNANAGAWMAJKJ-IVTOQIALSA-N 420.546 3.903 0 1 HHAF O=C(NCCCn1ccnc1)c1ccnc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c12 1857582483 UIZJZUMESFGZFJ-UHFFFAOYSA-N 414.391 3.660 0 1 HHAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)NCc2ccc(OC)cc2)C[C@H]1C(C)C 2356463203 SDLOJNDZNVSQBC-URVUXULASA-N 415.578 3.875 0 1 HHAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(C)Cc3ccccc3)[C@H](O)[C@H]2[C@H]1C 2356644072 RHCASEZXSITHLI-IXUQWTOISA-N 414.590 3.609 0 1 HHAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)CCc2ccccc2)on1 61908232 JURIHYROMKVRSJ-OAQYLSRUSA-N 418.497 3.686 0 3 HHAF CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 95569316 REQWVELPYKHGBZ-FTUXVVSKSA-N 422.602 3.910 0 3 HHAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 4546763 DKMGXGYXVWRENY-ZYSHUDEJSA-N 402.466 3.696 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(C)cc1Cl 4909091 SBIFJESEYBHIRO-AWEZNQCLSA-N 418.993 3.749 0 1 HHAF O=S(=O)(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCn2c1nc1ccccc12 6902078 YPXARQMYXXZCBR-UHFFFAOYSA-N 406.511 3.995 0 1 HHAF CCc1noc(C)c1C(=O)NCCN1Cc2ccccc2O[C@@H](c2ccsc2)C1 12079724 CSDAITGULWWBNP-HXUWFJFHSA-N 411.527 3.973 0 1 HHAF CCOC(=O)[C@H]1CCCN(c2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)C1 29549783 FHPCCRAETPUFNV-AWEZNQCLSA-N 418.444 3.524 0 1 HHAF Cc1nccn1CCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 65810382 GGBSMAMLQFMGKE-ZHACJKMWSA-N 412.497 3.659 0 1 HHAF CCOc1cccc(-c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)co2)c1 72186027 JHWMKRIQYSMXMM-UHFFFAOYSA-N 421.497 3.787 0 1 HHAF COC(=O)CSc1nc2cc(-n3nc(C(C)(C)C)sc3=O)c(F)cc2s1 73199522 PGQRLASYDZWJHH-UHFFFAOYSA-N 413.521 3.605 0 1 HHAF C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCC1CCCCC1 82083771 PMGSNXNQVMIJAC-CQSZACIVSA-N 414.458 3.702 0 1 HHAF Cc1ccc2nc(Sc3ncccc3C(=O)O)n(Cc3ccccc3)c(=O)c2c1 96258050 MOPOBBXCIVODOM-UHFFFAOYSA-N 403.463 3.998 0 1 HHAF CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 169709608 MOMLYOUBPIJKRX-KXBFYZLASA-N 419.472 3.970 0 1 HHAF CCS[C@@]12C[C@H]3c4cccc5c4[C@@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O 195516192 PSORSYJKNJMUHN-FHSQQOBZSA-N 420.534 3.956 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C 257610189 WQOZGNFAVRFSGE-KRRDLMQGSA-N 416.514 3.626 0 1 HHAF endogenous,in-man CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 586935849 JFACSIMMQRRZPD-CYBMUJFWSA-N 410.952 3.692 0 1 HHAF N[C@H](N=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586960371 PBRVGOPQPWNISE-NSYGIPOTSA-N 421.320 3.790 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(C(F)(Br)Br)nc2c1 587088779 RILSALBJSCMEKL-UHFFFAOYSA-N 400.429 3.873 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(S)nc(S)nc2[nH]1 587258221 BFCCKGBHHRZQRH-ZDUSSCGKSA-N 410.528 3.502 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372172 OFICDOYPENDNTH-IBGZPJMESA-N 404.260 3.764 0 1 HHAF CCNC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587510474 HJEPWXOJJXUHNP-NRFANRHFSA-N 409.482 3.795 0 1 HHAF Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587552146 NVXFSCUQPPUXQP-IAQYHMDHSA-N 404.209 3.774 0 1 HHAF C[C@H](CC(=O)O)[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576927 ITUVPZGQUXOHDG-FCDRKTINSA-N 419.433 3.942 0 1 HHAF COC(=O)CC[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577085 JAPTZMJBJWYTSC-QPPBQGQZSA-N 419.433 3.785 0 1 HHAF CSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614221 RIBRJDXMHJTIDQ-PGRDOPGGSA-N 405.431 3.923 0 1 HHAF O=C(CNc1ncc(C(F)(F)F)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587652074 VNHNPKVWTWHFIV-UHFFFAOYSA-N 417.174 3.869 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c1c(Br)nn2C 587869443 JXPOOJYWPKHOJV-UHFFFAOYSA-N 417.242 3.516 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ncc(Br)c1C 587870084 YJSJGTVRKITWLR-UHFFFAOYSA-N 407.243 3.696 0 1 HHAF COc1ccc(CCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(OC)c1 587929676 ZXOAFXITPVHZFT-UHFFFAOYSA-N 419.485 3.815 0 1 HHAF N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1)c1ccccn1 653899293 OZFPEFIRRAQBFR-QFIPXVFZSA-N 410.481 3.701 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(Cl)cc1S(C)(=O)=O 963061813 VPNITCUZYPOKER-FQEVSTJZSA-N 402.903 3.535 0 1 HHAF COc1ccc2c(n1)CC[C@]21N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182824 RWDHMFKUHVDZHF-QAPCUYQASA-N 412.795 3.551 0 1 HHAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(C)n3)c2)c1 1772639854 NBTYOFPLQJQTIH-UHFFFAOYSA-N 403.442 3.881 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1772643109 AARZZYNWPZWVKC-UHFFFAOYSA-N 413.433 3.558 0 1 HHAF O=C(O)C[C@@H](c1c(O)c2ccccc2oc1=O)c1cc(=O)oc2ccc(Cl)cc12 1857634206 LLWGUGLZKNSYPP-CQSZACIVSA-N 412.781 3.865 0 1 HHAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)C5CCCC5)C4)c3c2)cn1 1857756415 XZOKDNDTVXQYCM-IBGZPJMESA-N 417.513 3.903 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@H](CO)[C@@]2(C)CC[C@H](C)CCO 2356459077 WWZZSZPMEOPTGE-PJMPUZMDSA-N 424.578 3.943 0 1 HHAF c1cncc(-c2nc3c4ccccc4nc(N4CCC(N5CCCCC5)CC4)n3n2)c1 4436464 OSUGDEOCFYSFDK-UHFFFAOYSA-N 413.529 3.794 0 3 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 61903492 MLNHIGLZWRVBEV-NRFANRHFSA-N 423.419 3.605 0 3 HHAF CCc1nc2ccc(C(=O)NCCCN(C)C)cn2c1N(C)CCCc1ccccc1 61906727 ADHCVQJBXXRXFT-UHFFFAOYSA-N 421.589 3.647 0 3 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055653 NMAUNUZKXVTNQI-NTDBWNAOSA-N 404.919 3.913 0 1 HHAF CCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1C(=O)O 13832827 RXKTYMCGYUSQFW-UHFFFAOYSA-N 400.442 3.653 0 1 HHAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1cccnc1 25430121 LZXZTNBVTHFMNC-MOPGFXCFSA-N 410.518 3.677 0 1 HHAF biogenic CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccc(OC)cc1 26955421 ALDDUDLTDJZYKQ-LJQANCHMSA-N 403.519 3.557 0 1 HHAF NC(=O)c1ccc2nc(-c3ccc(C(=O)c4cc5c(cc4Cl)OCO5)cc3)[nH]c2c1 38334523 CDMSVBZXLQVABA-UHFFFAOYSA-N 419.824 3.942 0 1 HHAF CC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(N2CCN(C(C)=O)CC2)n1C 40753934 RGXNEEXQJRDKDG-UHFFFAOYSA-N 420.488 3.764 0 1 HHAF Cn1c(=O)c(Nc2ncc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21 64437798 WGUZCJCGDSYONM-UHFFFAOYSA-N 401.323 3.691 0 1 HHAF c1cncc(CCNc2cc(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)n2)c1 66259609 COFNTOMXKLWNKL-UHFFFAOYSA-N 400.486 3.511 0 1 HHAF CC(C)NC(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 66263018 VEDNYBRZFUMIPL-UHFFFAOYSA-N 409.530 3.507 0 1 HHAF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F)N1CCOCC1 82151134 XAPZBSUJLADTCB-UHFFFAOYSA-N 424.451 3.549 0 1 HHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 95874217 OZDFVAVTBCSTRR-VNEHVADISA-N 408.517 3.924 0 1 HHAF C[C@H]1CC[C@@H](Oc2cccc3cnccc23)CN1C(=O)c1ccccc1-n1nccn1 118557597 HMRXGDJBJTWHMJ-PKOBYXMFSA-N 413.481 3.888 0 1 HHAF CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@H]1CCC[C@H]2N1CCCC1 145297496 CQXHKVAZLJKFTQ-SFHLNBCPSA-N 410.389 3.695 0 1 HHAF O=C1c2cccc3nc(-c4ccccc4Cl)n(c23)CCN1[C@@H]1CN2CCC1CC2 166531114 KACRUIFNMDGLQB-HXUWFJFHSA-N 406.917 3.907 0 1 HHAF CC(C)C[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1 203736837 BVDJEMIIZRPYRJ-INIZCTEOSA-N 403.446 3.553 0 1 HHAF C[C@@H]1c2nnc(-c3cccc(=O)[nH]3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 205335278 JSJMFCNSTAYAHE-CQSZACIVSA-N 417.494 3.579 0 1 HHAF CN1[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2NS1(=O)=O 205633893 VQIHIKQTSWPXMI-QGZVFWFLSA-N 409.389 3.825 0 1 HHAF C[C@@H]1CCCC[C@H]1N(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 223895831 GVEYIRBPTHBSFV-DBXWQHBBSA-N 414.571 3.996 0 1 HHAF COc1ccc([C@H]2Oc3cc4c(c(OC)c3C(=O)[C@@H]2O)C=CC(C)(C)O4)c(OC)c1 238782613 IQEOIUQZHNDKTI-RBBKRZOGSA-N 412.438 3.574 0 1 HHAF COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1F 586950888 LGJCCNWWHMSFDI-UHFFFAOYSA-N 418.494 3.643 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2F)c1 587143874 MLKOMWLSRBURDV-UHFFFAOYSA-N 405.385 3.842 0 1 HHAF O=C(O)c1cc(F)cc2nc(-c3cc(I)ccc3F)[nH]c12 587183004 UNLNLLHBPLGAHO-UHFFFAOYSA-N 400.122 3.811 0 1 HHAF Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587554126 HHXLBARXWGNTNF-BLLLJJGKSA-N 406.316 3.553 0 1 HHAF CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3ccc4c(O)nc(O)nc4n3)c12 587563765 XDGDRYCQZGNUMG-GFCCVEGCSA-N 407.426 3.943 0 1 HHAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599496 XPJXVKRGBLJRBL-HMHJJOSWSA-N 416.429 3.985 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(c1ccccc1)N(C)[C@@H]2C 587765677 DGTJYBUYFLXQEZ-VFGMZZLHSA-N 418.310 3.600 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2cc(Cl)ccc2n1 587867626 BEIPEYZSKDLMBM-UHFFFAOYSA-N 421.766 3.962 0 1 HHAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1F 653778432 FBEHMXAMJFAZAR-INIZCTEOSA-N 412.486 3.761 0 1 HHAF Cc1[nH]c(C)c([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1C=O 963202337 YXCHAHMCVOVMPF-BLLLJJGKSA-N 400.784 3.805 0 1 HHAF COc1ccc(C2(c3ccc(OC)c(OC)c3)NCCc3ccc(O)cc32)cc1OC 963340176 FZFYKIFWIDVBNB-UHFFFAOYSA-N 421.493 3.864 0 1 HHAF CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(CN[C@@H]4CCCOC4)cc3)nc21 1772621551 WIQXNSPNKPGRAG-QFBILLFUSA-N 423.561 3.912 0 1 HHAF Cc1cc(-c2nc3cnc(OC(C)C)cc3n2[C@@H](C)c2ccccn2)cn(C)c1=O 1772646357 ALLGNHDQDADMDU-INIZCTEOSA-N 403.486 3.897 0 1 HHAF COc1ccccc1-c1n[nH]c(=Nc2ccc(CC(N)=O)cc2F)c2ccsc12 1857541254 RDKPGLOACLYXJM-UHFFFAOYSA-N 408.458 3.699 0 1 HHAF COC(=CC(=O)N1C(=O)C=C[C@@H]1CC(C)C)CCNC(=O)CCCCC(C)(C)C 2356335176 VKIGEMQNRQJTHS-GOSISDBHSA-N 406.567 3.969 0 1 HHAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)C[C@@H](O)[C@H]1COC(=O)CCC(=O)O 2356522492 JDKUSIUPEUOZEW-RAUDTWRRSA-N 422.562 3.863 0 1 HHAF CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@@H](C)C3)c(C)c2)[C@@H](C)C1 199272062 FBLNQPUDGFPTBG-VXKWHMMOSA-N 420.601 3.763 0 3 HHAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)C[C@H]12 206390271 ZRXGKXODZYOTMC-HNNXBMFYSA-N 417.292 3.950 0 3 HHAF CCCN1CC(=O)N2C[C@H](c3ccccc3OC)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2138680 XSDVNIXEUKAVPT-IQGLISFBSA-N 417.509 3.618 0 1 HHAF biogenic COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2C)cc1 6921666 NQPUSFMXEBVBBL-UHFFFAOYSA-N 414.483 3.787 0 1 HHAF CCCCNC(=O)[C@@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8472592 DYYDKRZIMYLDMG-DVECYGJZSA-N 424.545 3.534 0 1 HHAF biogenic O=C1C[C@@]2(CCc3ccccc32)C(=O)N1CC1CCN(CCc2ccccc2)CC1 13475705 OKBDKGHBTXQPPP-AREMUKBSSA-N 402.538 3.584 0 1 HHAF COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@H](C)N[C@@H](C)C2)c2ccccc2-3)cc1 13758967 CCORWJHDTBLOIY-IRXDYDNUSA-N 417.513 3.670 0 1 HHAF CCN(CC)CCNC(=O)c1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 28641777 LSBGXVFTYIZTKE-UHFFFAOYSA-N 409.559 3.976 0 1 HHAF O=C1COc2ccc(NC(=O)C3CCN(c4ccccc4C(F)(F)F)CC3)cc2N1 40848364 DLQYCUAUNGADOX-UHFFFAOYSA-N 419.403 3.891 0 1 HHAF COc1cc(NCC(O)CNc2cc(OC)c3ccccc3n2)nc2ccccc12 45196074 MZKLUKXVYOGJTF-UHFFFAOYSA-N 404.470 3.685 0 1 HHAF O=C(CCn1cncn1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 45229133 YTDOMTWMHZZZPC-GOSISDBHSA-N 400.486 3.618 0 1 HHAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@H]1CCCN(C)C1)[C@H]3c1cccc(O)c1 45351715 ILPBYDQWNIUYOS-UUOWRZLLSA-N 403.526 3.998 0 1 HHAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)CCCCC(=O)NO)s2)o1 59149930 SNMMJBCMTCRCSM-UHFFFAOYSA-N 412.537 3.725 0 1 HHAF CC(=O)N1CCN(CCCCOc2cc(C)n(-c3ccc4ccccc4c3)n2)CC1 95555302 CFSALKPOOGZGNM-UHFFFAOYSA-N 406.530 3.657 0 1 HHAF COc1ccc([C@@H](OC(=O)Nc2ccc(SC)cc2)[C@@H](CCO)OC)cc1O 95785340 ZFMLOAWBUQQKMB-RTBURBONSA-N 407.488 3.810 0 1 HHAF CSc1nn(-c2ccccc2)c2nc3n(-c4cccc(Cl)c4)cnn3c(=O)c12 103204902 NDZQFJNCHZHPTJ-UHFFFAOYSA-N 408.874 3.594 0 1 HHAF COc1cccc(-c2ccc3c(c2)[C@]2(N=C(N)N(C)O2)C2(CCC(C)(O)CC2)C3)c1 142208523 OFJOAKRTCYRUHH-KXTRFFEISA-N 407.514 3.574 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 169688657 OEFDADDUKUVRTO-IAGOWNOFSA-N 409.467 3.719 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc(OC(C)C)ncc3F)C2)cc1 169709291 CAZLBFOBWKPNBS-KXBFYZLASA-N 401.482 3.863 0 1 HHAF CNc1nc(Nc2cn(C(C)(C)c3ncc(C)n3C)nc2C)ncc1C(F)(F)F 205702003 YHDJHIHNSRFRSM-UHFFFAOYSA-N 408.432 3.611 0 1 HHAF CCn1nc2c(c1C)[C@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O 261168650 SLTHVRXQOKFPLI-FQEVSTJZSA-N 422.439 3.899 0 1 HHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587049564 RAOMJCDHSLGUEA-UHFFFAOYSA-N 420.922 3.728 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079387 DFYVSTRQEDMSMJ-SFHVURJKSA-N 405.907 3.923 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 587229927 DKWCLSOWJJSXBR-ZIAGYGMSSA-N 408.340 3.979 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 587388246 ZBQLHSDBXQXHCC-OXJNMPFZSA-N 411.502 3.690 0 1 HHAF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](N=O)C2 587574815 YXKOBUCHJXVMMA-MZKRTTBSSA-N 403.390 3.949 0 1 HHAF COC(=O)/C=C/c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592179 IRIXMHDIGPJFLJ-LDDOFNLFSA-N 418.401 3.987 0 1 HHAF C/C(=C\[C@@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587738776 CTJJYDUPNRCVKX-FVHSBGKRSA-N 405.315 3.621 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757128 NBCRGANIZBSSSR-DWFVZGMMSA-N 421.358 3.792 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772303 FKUSDHMWLSLZPX-BUXKBTBVSA-N 407.283 3.714 0 1 HHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1c(OCC(=O)OC)ccc2ccccc12 617970075 HWOVKAMVYFHMGU-WENBPLFZSA-N 414.483 3.588 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(C(C(=O)O)=CN(C)c3c(C)cccc31)N(C)[C@@H](C)C2 962618824 DXHLMSAOCBGWFL-IZHWHUGBSA-N 408.498 3.551 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962706725 OICCJYLQBXAAMM-KSFYIVLOSA-N 417.550 3.741 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@](CCC(=O)O)(c1cc(Cl)ccc1Cl)NCC2 962930180 LBKWBIFCALJWQH-OAQYLSRUSA-N 421.324 3.949 0 1 HHAF Cc1ccc([C@@H](O)Cc2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)c(C)n2)c(C)n1 963134998 VEEIZQUXSVGJQY-ZEQRLZLVSA-N 417.509 3.611 0 1 HHAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(F)c(F)c1 1772601463 VLIVVRVETMYTHW-FXAWDEMLSA-N 422.422 3.896 0 1 HHAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1CC=C[C@@H](C)O1 1772657153 DHKVZDFNSDUEAS-DYVFJYSZSA-N 414.506 3.955 0 1 HHAF CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)c3ccccc3OC)C2)c1C 13595569 LMSWTMNQRCIKIR-INIZCTEOSA-N 412.486 3.552 0 3 HHAF COc1ccccc1CNC(=O)c1cc(-c2ccccc2)nn1Cc1cc(C)no1 36384190 ANHXGDDQNNEHNN-UHFFFAOYSA-N 402.454 3.833 0 3 HHAF COC(=O)c1c(C)cc(OC(=O)c2c(C)c(Cl)c(O)c(Cl)c2O)cc1O 1766422 CSRJYVIKHJFLSA-UHFFFAOYSA-N 401.198 3.733 0 1 HHAF biogenic COC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O 8236901 UAJHOIBNQJDMAJ-GOSISDBHSA-N 403.438 3.583 0 1 HHAF biogenic Cn1c(=O)sc2cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 13779684 YURVPEXVKWCAQY-UHFFFAOYSA-N 421.488 3.984 0 1 HHAF CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCC[C@@H]1CC(=O)O 13976326 TXIWKVXUKOLFMS-CYBMUJFWSA-N 416.524 3.943 0 1 HHAF COc1ccc(C(=O)O[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C)C(C)=O)cc1OC 15119357 AGVOQRRWXUMWQJ-YEJXKQKISA-N 402.443 3.844 0 1 HHAF biogenic COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3ccc4c(c3)OCO4)c2=O)c1 28765670 IVMUVMIFZGDSOK-UHFFFAOYSA-N 406.360 3.572 0 1 HHAF CCOC(=O)c1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(OC)cc2)cc1 29340697 HLMWGRWOEPJLJP-QHCPKHFHSA-N 424.497 3.871 0 1 HHAF CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F 45498532 IAHRSPNDVKURFK-HZPDHXFCSA-N 420.439 3.628 0 1 HHAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2cccc(S(N)(=O)=O)c2)cc1 70459637 ZVVLYUFOZIMPAP-QFIPXVFZSA-N 407.495 3.698 0 1 HHAF O=C(c1ccccc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72101763 YQOXIVHPSZTPIW-QFIPXVFZSA-N 408.452 3.739 0 1 HHAF COc1cc2nc(N3CCC(CCO)CC3)nc(NCCC(C)C)c2cc1OC 82131150 GMFMNWMLQHSLJX-UHFFFAOYSA-N 402.539 3.704 0 1 HHAF CCN(C)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccccc1 82134043 VUQNLAVFPBSPAA-UHFFFAOYSA-N 406.486 3.865 0 1 HHAF Cc1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1 82152200 CXRMSAPWFHEBME-UHFFFAOYSA-N 400.479 3.977 0 1 HHAF CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NC[C@H]1CCCO1 82193277 GDJLAKCYNXCBCZ-CJNGLKHVSA-N 409.552 3.778 0 1 HHAF O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95893432 QGXLTBAJCUHLHN-VSKRKVRLSA-N 423.488 3.723 0 1 HHAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 104551714 RJQYILQJIQRYRJ-GXUNQHPWSA-N 416.562 3.866 0 1 HHAF CCCCCCC(=O)OCC(=O)NC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 169370471 YTRZQPXCORQEIS-VKVYLKMKSA-N 423.550 3.611 0 1 HHAF CCOc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1Cl 169709856 XJPWLMKGICFAJD-KBXCAEBGSA-N 403.910 3.989 0 1 HHAF Cc1nc([C@H]2C[C@@H]2c2nc3ccc(OC(F)F)cc3[nH]2)cc(-n2nc(C)nc2C)n1 205283020 ZJPLQPBUNACUHH-KBPBESRZSA-N 411.416 3.731 0 1 HHAF COC1CCN([C@@H](CNC(=O)c2cccc(Cl)c2Cl)c2cnc(C)nc2)CC1 207676291 YULSMQGOSXWAIG-SFHVURJKSA-N 423.344 3.674 0 1 HHAF CN[C@@](c1nc2ncc(C#N)cc2[nH]1)(c1c(OC)cc(C)c2[nH]ccc12)C(F)(F)F 219478633 QKNPPIQDEBBNJM-LJQANCHMSA-N 414.391 3.653 0 1 HHAF CC1(C)Oc2ccc(-c3cc(Cl)cnc3Cl)cc2[C@]2(COC(N)=N2)C12COC2 220719246 HCRMCIFUVDVQDP-HXUWFJFHSA-N 420.296 3.783 0 1 HHAF CCS(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042859 NPVMRCRONZUACR-INIZCTEOSA-N 421.931 3.665 0 1 HHAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1 587171689 UOCKRXJTXVNIFS-HXUWFJFHSA-N 421.457 3.646 0 1 HHAF O=C(O)CCN(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)Cc1ccccc1 587193987 VUYSWDWACZMUPJ-UHFFFAOYSA-N 407.392 3.981 0 1 HHAF CS(=O)(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361675 YQHQWTDLKDTQQF-SVFBPWRDSA-N 404.459 3.616 0 1 HHAF CCN1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(Cl)c2)CC1 587422399 YVUPGUNOETWGAK-JPYJTQIMSA-N 412.917 3.979 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(C(=O)OC)c1)CC2=O 587470831 ORIFPXRRCABNSM-HSZRJFAPSA-N 411.454 3.884 0 1 HHAF Cn1cc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 587609137 BQUMNHOSGPOICO-XLIONFOSSA-N 405.435 3.952 0 1 HHAF COc1ccc(C(=O)[C@@H](C)[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772619281 LTKVIRPRVBVHRN-PEBXRYMYSA-N 419.543 3.973 0 1 HHAF COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1 1857633632 HMYMGOYMKFISSM-LLVKDONJSA-N 400.859 3.579 0 1 HHAF F[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@H]1OCc1nc2cnccc2[nH]1 2356328998 PDMXAEHTJSAIPP-WMLDXEAASA-N 410.371 3.596 0 1 HHAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCCCCn1cnc2ccccc2c1=O 2356588823 IUAHIFOJXGFEPE-NFBKMPQASA-N 424.589 3.680 0 1 HHAF COC(=O)[C@@H]1CC2=C(CN1CC1CCCCC1)N(Cc1ccc(Cl)cc1)[CH]N2 2356849476 LXJSFTHOOMSIGD-FQEVSTJZSA-N 402.946 3.904 0 1 HHAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccc3ccccc3c2Br)C1 61903284 XSOIVFHMYYLLFZ-OAQYLSRUSA-N 419.363 3.967 0 3 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(N(C)C)c2)O3)cc1 61908217 AKAOLLQBFOEPDH-JOCHJYFZSA-N 416.481 3.715 0 3 HHAF COc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1N1CCN(C)CC1 606494 PZKHOJOINFYJRB-UHFFFAOYSA-N 402.498 3.761 0 1 HHAF CN(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1ccc(Br)cc1 5004485 DZCZFWAOIWWQTB-UHFFFAOYSA-N 412.243 3.568 0 1 HHAF CCNc1cccnc1N1CCN(C(=O)c2cc3c(C)c(OC)c(C)c(C)c3[nH]2)CC1 6385394 GMPQRYMPVHJKME-UHFFFAOYSA-N 421.545 3.891 0 1 HHAF Cc1cc2c(cc1C)-n1nnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 13743153 RVZSGDUCSBXFBV-UHFFFAOYSA-N 420.480 3.998 0 1 HHAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CSc1ccccc1 13805702 CHDOVUGJRCWTAC-LELZANKISA-N 410.576 3.703 0 1 HHAF COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(c3ccccc3OC)CC2)c1 28124330 DLAPGVRRXDLWCO-UHFFFAOYSA-N 419.525 3.903 0 1 HHAF CNc1ccc(Cl)cc1C(=O)NC1CCN(Cc2ccc3c(c2)OCO3)CC1 28524527 DQTGMTXGNQVAIX-UHFFFAOYSA-N 401.894 3.505 0 1 HHAF CC[C@@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@@H]21 33681169 QLJODMDSTUBWDW-JXVNLAGOSA-N 422.562 3.716 0 1 HHAF COc1cc2c(CNC(C)=O)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC 33970063 TYNGVEFVAUOXFY-UHFFFAOYSA-N 422.481 3.906 0 1 HHAF CC(=O)N[C@H](c1ccccc1)[C@H]1CCCN(CCNC(=O)c2c(C)cccc2C)C1 40861434 GZJVNXHQFXMSIH-LADGPHEKSA-N 407.558 3.623 0 1 HHAF CC(C)Nc1cc(-c2[nH]c(SC[C@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40863072 TZUIGVDFKLFBTP-MRXNPFEDSA-N 402.495 3.543 0 1 HHAF Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)C2C(=N)N(C)C(=O)N(C)C2=N)cc1 45246072 SHVJLUIJQOEGRY-LROBGIAVSA-N 418.497 3.943 0 1 HHAF O=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)nn2)c2c(F)cccc2c1=O 45353270 RRPOZUZDLUICJV-UHFFFAOYSA-N 414.396 3.825 0 1 HHAF CCCNC(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 66263016 RCHNWNONXBVBRJ-UHFFFAOYSA-N 409.530 3.508 0 1 HHAF COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccc(F)cc3)ncnc21 82185425 AHNXMFFDSVWAAY-UHFFFAOYSA-N 423.448 3.605 0 1 HHAF CC(C)NC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96939124 SJWVELZZBPYZRG-KRWDZBQOSA-N 407.513 3.865 0 1 HHAF Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc(-c3ccccc3)cc2)n[nH]1 114077745 MFSQIIIHVBIHND-UHFFFAOYSA-N 412.497 3.587 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1)N1Cc2ccccc2C1 166642233 URGOETXQCGWMBB-UHFFFAOYSA-N 418.541 3.840 0 1 HHAF CC(C)[C@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1 221618619 SEWPIHHWIJFHPE-HSZRJFAPSA-N 406.505 3.570 0 1 HHAF CCCc1sc(N)nc1-c1nc2c(Br)cnc(Br)c2[nH]1 587013071 HEAXWCGWLOPOQM-UHFFFAOYSA-N 417.130 4.141 0 1 HHAF COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587028427 YCMBPRBBUCUFTP-KYNGSXCRSA-N 424.526 3.881 0 1 HHAF O=C(Nc1ccccc1Cl)c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 587060210 FZZKGIAEJDZVPR-UHFFFAOYSA-N 403.769 3.762 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1 587245272 SKDPUBVBUDGOII-UHFFFAOYSA-N 412.247 3.860 0 1 HHAF COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422858 VKXGGXWLVYLISK-QRWLVFNGSA-N 406.356 3.920 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cnc(SC)nc1Nc1ccccc1)[C@@H](C2)C3=O 587448987 AAZAHBFZHIMRHO-YWZLYKJASA-N 405.479 4.439 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2nc3nonc3nc21 587488133 ZLDKUDISIDDLLO-QFIPXVFZSA-N 400.394 3.560 0 1 HHAF C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518342 GFQVSYISGBTTIQ-XUZZJYLKSA-N 404.466 3.651 0 1 HHAF CC(C)COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584098 WBDYWMBMFUZLAH-IBGZPJMESA-N 411.454 3.981 0 1 HHAF C[C@@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596294 QPLNYKZJRAKSTC-REWPJTCUSA-N 406.390 3.733 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 587789873 BTMZMIFQZFPJNE-ADYAMRHXSA-N 403.295 3.969 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc(N)ccc2o1 587868709 PKKPWCZSKZQHJD-UHFFFAOYSA-N 402.332 3.989 0 1 HHAF Cc1sc2ncnc(SCC(=O)c3ccc(CNC(=O)C4CC4)o3)c2c1C 653730597 XPXNOZJLJKQYGV-UHFFFAOYSA-N 401.513 3.902 0 1 HHAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 1857601359 HVCLJLFYVDNOAP-QINHECLXSA-N 406.419 3.590 0 1 HHAF Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 1857613161 MDQBVBRFUKTXRO-QFIPXVFZSA-N 409.530 3.615 0 1 HHAF CC1=C[C@H](CNC(=O)CCCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356286506 ADJFVEXCUYURPK-KSZLIROESA-N 412.534 3.726 0 1 HHAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)n1 2356301963 IYBZNZUQTFAROD-RHSMWYFYSA-N 424.398 3.724 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)C[C@@H](O)[C@H](O)C(C)(C)O 2356665868 PWGFIVDGCMQGCD-OFNKIYASSA-N 416.514 3.727 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2ccncc2F)CC[C@@]1(C)O 2356700193 BNYSVEDNJHIKLD-TUNNFDKTSA-N 419.566 3.901 0 1 HHAF Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1 4860837 AKOLLOOKOCBFDX-UHFFFAOYSA-N 401.473 3.675 0 3 HHAF CCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCCCCC2)=C1C 199200719 LDMOTKQIDOBSIJ-IBGZPJMESA-N 417.594 3.761 0 3 HHAF CC(C)(N)CC(=O)N[C@@H]1CCc2c(ccc3ccccc23)N(Cc2ccccc2)C1=O 3825691 HHLXIUQYLOOKTL-JOCHJYFZSA-N 415.537 3.931 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCOc1ccccc1 4153942 HYARTDWGSDWVAO-GGAORHGYSA-N 420.465 3.965 0 1 HHAF O=C(CCCN1CCN(C[C@H]2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 22925183 LGAZBHZJAUYBTQ-KRWDZBQOSA-N 414.546 3.913 0 1 HHAF CCCCCC(=O)N1CC[C@H](CC(=O)NCc2ccc3c(c2)OCO3)[C@@H](CC)C1 25427656 XXMMMGABMLFVNE-RBUKOAKNSA-N 402.535 3.877 0 1 HHAF biogenic O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCC=C(c2ncccn2)C1 28524567 ZXHBNZSYVCHQIG-UHFFFAOYSA-N 410.905 3.918 0 1 HHAF O=C(NCC1CCOCC1)c1cnc(Nc2ccc(F)cc2F)nc1C(F)(F)F 28645386 DFPVMCSKZAZFKT-UHFFFAOYSA-N 416.350 3.674 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(NC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410516 ATNLARLOBDNYEU-WTNFDHGDSA-N 403.611 3.839 0 1 HHAF COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCCCOc1ccc(Cl)cc1 45356617 DLLGGDXYDMJCBZ-WJDWOHSUSA-N 418.902 3.542 0 1 HHAF CCCCc1cc(OC2CCN(CCS(=O)(=O)CC)CC2)c2ncccc2c1 59028128 WPBIXHMMPYIOEY-UHFFFAOYSA-N 404.576 3.855 0 1 HHAF COC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N2CCCCC2)CCCC1 73196164 ZIBINLOXKFNOAK-UHFFFAOYSA-N 418.559 3.513 0 1 HHAF COc1cnc2c(NCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1 166084353 SWINMPAQOICNAO-UHFFFAOYSA-N 421.461 3.864 0 1 HHAF CCCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195282972 PKRSCLWRYRXOGB-IXQZBMMPSA-N 423.553 3.699 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)O2 205778389 YPJIPLSVRAVZGE-HSZRJFAPSA-N 403.543 3.884 0 1 HHAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(OCC3CC3)c2n1 207611435 BWHUMVAWMHVYPY-UHFFFAOYSA-N 402.458 3.966 0 1 HHAF Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 586951602 QTRTZNCUYIPPCC-UHFFFAOYSA-N 424.295 3.881 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 586953292 SHPBSHTUTXXPTF-UHFFFAOYSA-N 411.527 3.713 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587041794 GGURJWTWZGCKRD-NSHDSACASA-N 412.309 3.644 0 1 HHAF CCOc1c(OC)cccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587273115 HZPQVZSAAGSOOE-UHFFFAOYSA-N 406.232 3.721 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4noc(CN5CCCC5)n4)cc1)[C@@H](C2)C3=O 587441651 GSVJQDVEESESTR-FDDCHVKYSA-N 417.465 3.830 0 1 HHAF CCOC(=O)[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566974 CQQOGLIPGDXWJT-XXBNENTESA-N 408.381 3.952 0 1 HHAF O=C(Cc1cn2ccsc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662874 SIHRIFSMWRIUPI-UHFFFAOYSA-N 404.426 3.795 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3cncs3)c(=O)c3ccccc23)c(O)c1 587670595 PGTIPTLQUAXXRB-UHFFFAOYSA-N 420.494 3.760 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587737001 VHPSDRKFPSXRIE-YPMLDQLKSA-N 405.246 3.672 0 1 HHAF COc1cccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587867512 HICWVVZGVWHAOQ-UHFFFAOYSA-N 407.348 3.700 0 1 HHAF CC(C)c1nn(C)c2c1[C@@]1(CCN(Cc3ccccc3)C[C@@H]1C(F)(F)F)NCC2 962916000 WJPOHDFGLIBYTC-RXVVDRJESA-N 406.496 3.969 0 1 HHAF CC(=O)Oc1cccc([C@]2(c3ccco3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963022328 IQEQQFKNCIZIMO-GYCJOSAFSA-N 402.450 3.550 0 1 HHAF Cc1c(O)ccc2c1[C@@]1(C=C(c3ccccc3)Oc3ccc(O)cc31)N[C@H](C(=O)O)C2 963509448 NJXRRJAOIHATMJ-DFBJGRDBSA-N 415.445 3.682 0 1 HHAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(Cl)cc1 1772585330 WMDFOUUNXWEBFQ-HBMCJLEFSA-N 402.897 3.974 0 1 HHAF Oc1nc(N2CCCCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1 1772608794 GZBAQUSJLOHFES-CQSZACIVSA-N 410.547 3.613 0 1 HHAF Cc1ccc(-n2nnnc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1 1857590687 WBDWZZQCGGSYBS-MRXNPFEDSA-N 402.502 3.752 0 1 HHAF F[C@H]1CN(Cc2cccc(OC(F)(F)F)c2)C[C@H]1OCc1nc2cnccc2[nH]1 2356301978 JEIKRIJBJMROOQ-WMLDXEAASA-N 410.371 3.596 0 1 HHAF COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2[C@H]2NCCC[C@@H]2C1 2356362368 FPUGEZQMCZNKFY-NNIYEDBRSA-N 423.509 3.877 0 1 HHAF CN(C)c1cccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 11665169 JUSRXQPPMSWLIT-GOSISDBHSA-N 411.521 3.841 0 3 HHAF Cc1ncc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 15071284 ORCBZCJSJSLWRJ-UHFFFAOYSA-N 403.486 3.823 0 3 HHAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCc2ccccc2Br)cc1 769528 KSHVOMGTKVLDCE-HXUWFJFHSA-N 416.319 3.572 0 1 HHAF CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 3814703 DFSTZAKEISRAOK-UHFFFAOYSA-N 411.405 3.604 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H](O)CC)c1 4206339 LLFGXFLGTLLIDV-CUWPLCDZSA-N 416.905 3.718 0 1 HHAF COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC/C=C/c3ccccc3)C4)c2n1 28817527 JYMRFCRBQWHWTF-MUPIXQSSSA-N 411.509 3.984 0 1 HHAF COc1c(C)c(OCC=C(C)C)c2c(c1C(=O)O)C(=O)N([C@@H](CC(C)C)C(=O)O)C2 31167404 YXEOLDODWFOQJL-HNNXBMFYSA-N 419.474 3.502 0 1 HHAF biogenic COc1ccccc1Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21 49785402 ZOCFLEXQGZEOEM-UHFFFAOYSA-N 421.888 3.853 0 1 HHAF O[C@H]1CN(C2CCC3(CC2)OCCO3)CCc2cc(OCc3ccccc3)ccc21 64559963 GFHXCYICQJUPOX-DEOSSOPVSA-N 409.526 3.843 0 1 HHAF CC(=O)Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928680 VDUIAKPYYVJAST-UHFFFAOYSA-N 407.257 3.948 0 1 HHAF CNc1nc(C)c(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)ncc2F)s1 103291589 PJIPYWGIYRUKIG-UHFFFAOYSA-N 413.526 3.585 0 1 HHAF CN(c1ncc(C(F)(F)F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540732 HZWHDECITVVZEJ-CYBMUJFWSA-N 404.392 3.528 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1F 207006496 YTSQUJOXQNTPEU-XUXIUFHCSA-N 415.914 3.620 0 1 HHAF C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C[C@@H](C)O1 224793456 NVVMZBWPVNUHJS-GASCZTMLSA-N 406.461 3.781 0 1 HHAF COc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3)nn2)CC1 299840296 UWNBKMQSNLLWQV-UHFFFAOYSA-N 405.546 3.811 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 299882887 QMBGDWVVYSXZCH-KHLCOIHMSA-N 401.459 3.995 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1OC 587122310 BMXBUPSNQFNMIY-XLKFXECMSA-N 409.368 3.529 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)O2 587391238 LUIWMGZNJYUIJF-OYLFLEFRSA-N 404.466 3.910 0 1 HHAF Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587410640 UGOFDIRAAXIHLD-QFIPXVFZSA-N 410.495 3.805 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1cncnc1)[C@@H](C2)C3=O 587418468 QTDYVWNSUOBGSK-UWJYYQICSA-N 423.266 3.939 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587516209 ACLURUWZLIXDFM-LDSCYUJKSA-N 413.514 3.783 0 1 HHAF CN(C)/C=C/c1nc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572225 ONMBDOYKKRMENY-QZTYOQMJSA-N 418.449 3.902 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577586 SZGKXAOEUOKUOX-FBOFTVOISA-N 419.433 3.670 0 1 HHAF O=C(O)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598823 VLDCSSFVWAJRBI-REWPJTCUSA-N 406.390 3.949 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3ccncc3)c(=O)c3ccccc23)cc1OCC 587670445 YWSCIZLFBMLHPO-UHFFFAOYSA-N 415.449 3.944 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2N)N1 587682969 MOCOOYDSPSZHRC-NXSYQRQQSA-N 415.104 3.952 0 1 HHAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c2)c1 587933473 PHJKUDXKDJPLGU-UHFFFAOYSA-N 423.494 3.861 0 1 HHAF COC(=O)C[C@@H]1N=C(c2cc(C)ccc2C)c2cc(OC)ccc2-n2c(C)nnc21 653699335 AQOZPIQAURHKLC-IBGZPJMESA-N 404.470 3.656 0 1 HHAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(C=C(Br)CCC2)N1 962623039 BBCFJOCUWCWYMI-UKRRQHHQSA-N 406.198 3.842 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2ccccn2)(C2CC2)N1 962923560 FGXIZNZFWZHXIL-XUZZJYLKSA-N 402.450 3.832 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CCc3c(Br)cccc32)N1 963231861 RPVIWRSOAPZYRD-CTNGQTDRSA-N 409.283 3.786 0 1 HHAF C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)NCCc3cc(Cl)ccc32)C1=O 963391661 WFEAPSWMIOERCT-JTHBVZDNSA-N 412.917 3.739 0 1 HHAF COc1cccc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)n1 1857535937 JNWMYAQLPNHTTK-UHFFFAOYSA-N 423.498 3.617 0 1 HHAF COc1ccc(-c2n[nH]c3ccc(NCc4ccccc4NS(C)(=O)=O)cc23)cn1 1857601191 CGTVBSFHAMSCIG-UHFFFAOYSA-N 423.498 3.617 0 1 HHAF N[C@H]1CC[C@H](N=c2nc3c(ncn3C3CCCCC3)c(Nc3ccc(O)cc3)[nH]2)CC1 1857640792 KOGLUWUFJRYZSL-JCNLHEQBSA-N 421.549 3.884 0 1 HHAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)ccc2NC2CCOCC2)c2ccccc21 1857749817 FSMQYMZIIOIQPZ-UHFFFAOYSA-N 421.453 3.843 0 1 HHAF Cc1ccc2nc(C)c(C(=O)NCCOCc3ccc(Br)cc3)n2c1 1857752175 QHQCCBCRBRZUAK-UHFFFAOYSA-N 402.292 3.660 0 1 HHAF CCCO[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)C1 12302956 GXNPFDGUHHCMTJ-OAQYLSRUSA-N 418.578 3.978 0 3 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4310483 AFAMMXDWWMBOQI-USCONSEESA-N 419.566 3.784 0 1 HHAF CCOC(=O)CCCn1c(Nc2ccccc2)nc2cc(OC)c(OC)cc2c1=O 13800994 QOJUCGFIYRIVAM-UHFFFAOYSA-N 411.458 3.501 0 1 HHAF O=C(Nc1cnn(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1)c1ccco1 14976216 NDKWDJZGUCVFAL-MRXNPFEDSA-N 421.482 3.702 0 1 HHAF COc1ccc(-c2cnn3c(C)c(C(=O)NCCOc4ccccc4)cnc23)cc1 23435520 MQVOTAJGIAGTDX-UHFFFAOYSA-N 402.454 3.522 0 1 HHAF Clc1nc(Cl)nc(NCCCCCCNc2nc(Cl)nc(Cl)n2)n1 68586786 GUZZCAOTAYQAJP-UHFFFAOYSA-N 412.112 3.755 0 1 HHAF biogenic CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1 72107695 AQLRCNISGHHQBC-UHFFFAOYSA-N 404.474 3.621 0 1 HHAF CC(=O)N[C@@H](Cn1cc(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn1)C(=O)O 72118708 SZYGGXWWDUVTGH-NSXGNKGDSA-N 402.539 3.829 0 1 HHAF CCCCN(CC)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066949 FLNLHCVLNCMJGP-GOSISDBHSA-N 401.511 3.890 0 1 HHAF O=C(OCCc1ccccn1)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085603 FUEBJSOUNMLVMT-LJQANCHMSA-N 422.510 3.672 0 1 HHAF O=C(c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1)N1CCOCC1 82132388 LWSDIOHSPKSWFI-UHFFFAOYSA-N 408.889 3.882 0 1 HHAF O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(OC(F)(F)F)cc4)nn3)ccc2O1 95580833 AHDBCRUSRJUFHQ-UHFFFAOYSA-N 409.345 3.526 0 1 HHAF CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1 143826055 XFYUTGIEFKGWND-OAQYLSRUSA-N 420.561 3.915 0 1 HHAF COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)c2ccccc2[S@@]3=O)cc1 169309877 OVSYCGRHGBIWAK-LJAQVGFWSA-N 406.463 3.704 0 1 HHAF N=C(N)Nc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1 169325814 FMFUEMXYKKKVFU-UHFFFAOYSA-N 400.236 3.662 0 1 HHAF COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1 221619646 BWNVQFRAUGEVNU-UHFFFAOYSA-N 406.392 3.668 0 1 HHAF CN1CCC[C@@H]1CCNCC1CN(c2ncnc3scc(-c4ccccc4)c23)C1 223011984 AURQYWVQGSCCSA-LJQANCHMSA-N 407.587 3.868 0 1 HHAF CC(=O)N[C@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(C)cc1 587216654 IPWBFOBZPLMSFY-MRXNPFEDSA-N 419.266 3.896 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587448080 BKILZCFLRBADAK-PISWEHOVSA-N 414.413 3.904 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)ccc(F)c12 587567523 DCVQUGXMZBEJCM-IIBYNOLFSA-N 411.772 3.994 0 1 HHAF CCOC(=O)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570096 KGSIKBXDIVJEBC-WMZHIEFXSA-N 408.381 3.952 0 1 HHAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-n1cnnc1 587752771 FUMSIKZVBZRPHQ-MGNBDDOMSA-N 404.287 3.533 0 1 HHAF CCOc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587795075 NGKBWAJKFDMDRK-GIGQVBGESA-N 405.267 3.717 0 1 HHAF CCCC(=O)C[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797563 MGXZBDFRNVADKL-VOJFVSQTSA-N 400.288 3.640 0 1 HHAF COC(=O)c1ccc(C=O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587809114 QLBMOVDQXQEGHG-XTZNXHDOSA-N 406.251 3.811 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@](CC(=O)c1ccc(Cl)cc1)(C(F)F)NCC2 962927343 QPCIQKWZMVPWDZ-NRFANRHFSA-N 406.860 3.921 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCc3nc(Cl)sc3C2)N1 962975758 YLIJEUYUCQFNLB-HWPZZCPQSA-N 405.253 3.711 0 1 HHAF C[C@@H]1C2(CCCC2)NCC[C@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963152404 UXMDLMHIMWVIAV-MFLXSWDHSA-N 421.563 3.527 0 1 HHAF COc1ccccc1O[C@@H]1CCN([C@@H](C)c2nc(O)c3cnn(C4CCCC4)c3n2)C1 1772574818 ZEZNUIVVJLKEHG-DOTOQJQBSA-N 423.517 3.870 0 1 HHAF CCc1nc(NC(C)=O)[nH]c1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 1857585424 IPWJPXDVFVWHMR-UHFFFAOYSA-N 408.483 3.789 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2F)[C@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356466972 YQXLHFLNHBLJFI-AKFKNWHVSA-N 411.521 3.594 0 1 HHAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)Oc3cc(O)c4c(c3C[C@H]12)C[C@H](O)CC4=O 2356719175 PSTLLZRFPVSVAC-ILVXVCPMSA-N 412.526 3.997 0 1 HHAF COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(Cc4nccn4C)[C@H]4CCC[C@@H]2[C@@H]43)cc1 211062516 CMDHQCCAUDSBFI-DCIYMBNPSA-N 407.558 3.867 0 3 HHAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@@H]1c1cn(C)c2ccccc12 2468678 QWZAWPSOJNSTJV-GOTSBHOMSA-N 413.477 3.998 0 1 HHAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@@H](c2ccc3ccccc3c2)O1 29251494 WNAWDSJLRZSVNW-GBXCKJPGSA-N 409.482 3.940 0 1 HHAF COc1c(F)cc(Nc2ncc3c(n2)N(CCC(C)C)[C@@H](C)C(=O)N3C)cc1F 33359421 RWEADUGOFUHUKR-LBPRGKRZSA-N 405.449 3.724 0 1 HHAF CCCC[C@]12C[C@@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 34821594 CESRDADCMWXVSB-FGZHOGPDSA-N 411.889 3.848 0 1 HHAF COc1ccc(-n2cnc3c(sc4ncnc(Nc5ccncc5)c43)c2=O)cc1 95558651 PQSQDCRSWYCOFQ-UHFFFAOYSA-N 402.439 3.538 0 1 HHAF CCCc1c(C(=O)NCc2cc(C)no2)cnn1-c1ncc(C)c(-c2cccs2)n1 96273282 GXTJNLVWCUPEAP-UHFFFAOYSA-N 422.514 3.878 0 1 HHAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccnc2)[C@H]1C(=O)c1cc2ccccc2o1 100273349 BCJDNNFWCNRPAM-PMACEKPBSA-N 400.390 3.573 0 1 HHAF OCCNc1nc(N2CCC(CCO)CC2)c2c(-c3ccc(F)cc3)csc2n1 146519995 FBYRSLKMDJHAFF-UHFFFAOYSA-N 416.522 3.500 0 1 HHAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c([C@H]3CC[C@@H](O)CC3)n2)C1 169697096 AYZUBCLOFTTWJJ-WCXIOVBPSA-N 412.509 3.871 0 1 HHAF CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1 205665000 DFNKIGFBYCFAKU-UHFFFAOYSA-N 419.456 3.815 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nnc(-c3ccc(F)cc3)o2)n1 219753877 AUBGVCAXOQPLIS-IUODEOHRSA-N 412.425 3.820 0 1 HHAF COc1ccc(-c2ccc3[nH]nc(-c4cc(N5C[C@H](C)O[C@H](C)C5)ncn4)c3c2)cn1 225566162 UOUMJZZTWCHIPO-GASCZTMLSA-N 416.485 3.704 0 1 HHAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2cccc(Cl)c2)nn1 299861623 LSEQGRFXUUVMPF-BQJQTIKASA-N 409.829 3.962 0 1 HHAF Sc1nnc(SCc2nc3cccc(I)c3[nH]2)s1 587026073 UJDWSGNJMKVDOO-UHFFFAOYSA-N 406.299 3.600 0 1 HHAF CC1=C(c2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)NNC(=O)C1 587079528 ISCJAHHAOMRESX-MRXNPFEDSA-N 420.904 3.696 0 1 HHAF CS(=O)(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587184293 QICHAMFVZAJPEZ-YVMONPNESA-N 424.263 3.741 0 1 HHAF CN(C)c1cccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659840 FUCCVKKPCNLYJU-UHFFFAOYSA-N 417.440 3.988 0 1 HHAF C/C(=C\[C@@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587744171 ZCLQIQOWRUKDJA-WHTWISEVSA-N 405.315 3.621 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587791539 JZGNUHJRLIQDDG-APBUJDDRSA-N 405.267 3.717 0 1 HHAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963106157 JTLWHHOKSLZJQE-VTZPFEBOSA-N 408.517 3.737 0 1 HHAF N[C@H]1CC[C@H](CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)CC1 1772598962 UDLDRWWTJMCAEM-XYPYZODXSA-N 418.947 3.666 0 1 HHAF Cc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 1772651126 UFPYQYMXCHYQIE-UHFFFAOYSA-N 404.499 3.586 0 1 HHAF O=C(CCN1CCN(CCc2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1 1857539253 YBSDAHWZSGYKMV-UHFFFAOYSA-N 420.582 3.999 0 1 HHAF CCn1c2ccccc2c2cc(NC(=O)c3ccccc3C(=O)NCCO)ccc21 1857761131 PMKZNBXUZRHKOZ-UHFFFAOYSA-N 401.466 3.789 0 1 HHAF O=C(N[C@H]1C[C@H](c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1ccccn1 1911574916 GJNUBEZCTKBVCJ-WKILWMFISA-N 414.444 3.539 0 1 HHAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@H](CNCc4ccccc4)O3)no2)cc1 2356287537 LEYIDIUEXDKCGN-ZDXQCDESSA-N 408.498 3.591 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC=C[C@@](C)(O)CC[C@H](O)C(C)(C)O 2356305869 NZEJTWMPBBOFLP-XUZZJYLKSA-N 416.514 3.727 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1cccc(Cl)c1 95567560 LTRGDQQCZCPPQV-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4295740 WBAJSWKTWYSGPD-PKOBYXMFSA-N 404.869 3.706 0 1 HHAF Brc1ccc(C2=Nn3c(nnc3-c3ccc4c(c3)OCO4)SC2)cc1 9590775 OXXYHQXRGLPALZ-UHFFFAOYSA-N 415.272 3.794 0 1 HHAF CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1NCCCN1CCOCC1 20103800 UVZCHJMJFRMMKP-UHFFFAOYSA-N 411.424 3.565 0 1 HHAF Cc1cc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nnc1Cl 28389099 FQHZIEOTTTUGIG-UHFFFAOYSA-N 415.803 3.691 0 1 HHAF C[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O)C(=O)O 38152607 XKZHNFLHDHLLRG-WSFBZHNBSA-N 422.606 3.695 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@]4(C)[C@@H]3CC[C@]12C 40449656 ZMAIFLOHRXCDQS-RLPCNMPTSA-N 418.622 3.959 0 1 HHAF Cc1cc(C)cc(Sc2c(CN)c(C)[nH]c(=O)c2I)c1 45302437 BSIVCCJWYYMVKB-UHFFFAOYSA-N 400.285 3.515 0 1 HHAF COc1cccc2c1CCC[C@@H]2C(=O)NCCCN1CCN(C2CCCCC2)CC1 72106400 DKVWFNAOHAVLPF-QHCPKHFHSA-N 413.606 3.572 0 1 HHAF Fc1ccc(CCNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)cc1 82187607 ZYYXYBRBXMVCIG-UHFFFAOYSA-N 408.525 3.983 0 1 HHAF COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCC3)C[C@@H]21 95893429 VWYNOJZKLPMZPG-WMTXJRDZSA-N 406.526 3.561 0 1 HHAF CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1 118539850 HSQMFIMBYSLZCY-UHFFFAOYSA-N 424.508 3.765 0 1 HHAF C[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 141839235 CBHSFFFACDABJE-DGCLKSJQSA-N 402.376 3.614 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H]3CC(=O)NC3=O)cc1)O2 142840104 ZFMLMSWJWJBTEO-AVRWGWEMSA-N 423.509 3.685 0 1 HHAF O=C(Nc1cc(Cc2ccccc2)on1)c1ccc2cc3n(c2c1)CCCNC3=O 147844553 SXDOCJTUWTVBAD-UHFFFAOYSA-N 400.438 3.606 0 1 HHAF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccc(O)c(Cl)c3)CC2)C1=O 473109920 ULKYKOSSCPJGHQ-UHFFFAOYSA-N 407.942 3.710 0 1 HHAF Nc1nc(O)c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 587065041 YULIYJBLGVNCCU-UHFFFAOYSA-N 420.860 3.995 0 1 HHAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)cnc3[nH]2)CC1 587091186 HFLOUBZQCPVWQH-UHFFFAOYSA-N 418.391 3.902 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2F)c1 587144011 OXRYDVDGLUJCEN-UHFFFAOYSA-N 405.385 3.842 0 1 HHAF COc1ccc(CC(=O)c2c(CO)oc3cc(Br)cnc23)cc1OC 587274681 YWGIHXAXVGHODY-UHFFFAOYSA-N 406.232 3.525 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)NC(=O)CO3)N1 587792304 HVJXNEMJAMQISQ-APBUJDDRSA-N 405.267 3.717 0 1 HHAF C[C@H]1CCc2cc(-c3cc4c[nH]cnc-4n3)ccc2N1C(=O)c1ccc(O)cc1O 653675504 DITRKTDSBBBRRK-ZDUSSCGKSA-N 400.438 3.969 0 1 HHAF OCCCCNc1nccc(NCCCNc2ccnc3cc(Cl)ccc23)n1 653876583 DUIJAMFTFQXZBA-UHFFFAOYSA-N 400.914 3.777 0 1 HHAF CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)C(=O)N2 962966830 ATIQKFNDUZEYCD-YWZLYKJASA-N 406.816 3.536 0 1 HHAF O=C1CCC[C@H](CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)C1 1772612769 FJTKXDBMWYADJX-JTQLQIEISA-N 417.915 3.908 0 1 HHAF C[C@@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)nc4)ccc3n2)CCN1 1772642548 FKRJOLGOCURNRA-CYBMUJFWSA-N 416.403 3.875 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@@H]2CCCNC2)cc1F 1772650923 LIHVVJGOVIYMEC-NSHDSACASA-N 418.947 3.538 0 1 HHAF O=C(O)CCc1ccc(OC[C@@H]2COc3cc(Br)ccc3O2)cc1F 1857766231 ZQZCYRNBPNQKNP-CQSZACIVSA-N 411.223 3.824 0 1 HHAF Cc1ccccc1CN1CCN2C=C(C(=O)Nc3cccc(Cl)c3)OC2=NC1=O 205213943 IRRPZLAUBKKRGY-UHFFFAOYSA-N 410.861 3.752 0 3 HHAF Nc1cc2c3c(cccc3c1)C(=O)N(c1ccc(OCCN3CCCC3)cc1)C2=O 1648678 AHMXYSXWUPEGAH-UHFFFAOYSA-N 401.466 3.697 0 1 HHAF O=C1CN(C(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)c2cc(F)ccc2N1 2456652 QTTWWGQNFHAXLD-JOCHJYFZSA-N 404.397 3.738 0 1 HHAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCO 26573079 COSLZNSLGCSJBY-PMACEKPBSA-N 412.530 3.918 0 1 HHAF O=C(O)CCCCN1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 29325627 JDWWQMGKWQDQLA-DEOSSOPVSA-N 414.521 3.804 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(SC)cc2)CC1 38308970 XYAJAPHLHQOSBC-UHFFFAOYSA-N 413.587 3.749 0 1 HHAF O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 40956718 VFJLDGUTFILMQF-UHFFFAOYSA-N 418.428 3.976 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)C[C@H](O)[C@@]32F)C1 45334605 LAAYUILJXJNUGB-NQBGTIOHSA-N 410.526 3.955 0 1 HHAF CC[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](CC)c2cn[nH]c2C1(F)F 49047522 VGJQVTNXCJEIGB-YPMHNXCESA-N 424.395 3.850 0 1 HHAF COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2ccccc21 64513391 ZXXOMUWUIUJVRS-UHFFFAOYSA-N 409.505 3.905 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 72317706 PTDMPQVDDGTRSH-UHFFFAOYSA-N 405.901 3.712 0 1 HHAF COc1cncc(-c2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)c1 82082742 IXMSOERPSMAGIZ-UHFFFAOYSA-N 403.486 3.797 0 1 HHAF O=C(N[C@H](CO)COCc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1 82085958 ZNLKPQYSKQPQKZ-OAQYLSRUSA-N 402.450 3.802 0 1 HHAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]c(O)nc34)n(-c3ccccc3)c(=O)c12 88345823 PLBICAZKZLHGFS-AWEZNQCLSA-N 412.453 3.844 0 1 HHAF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1OC 103268880 RTQNZXRQQMQOOF-UHFFFAOYSA-N 405.501 3.573 0 1 HHAF COc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115654746 VITWZUNQPKXICW-XMMPIXPASA-N 402.425 3.647 0 1 HHAF Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 141516045 DYGOVISPYZBJRD-QFIPXVFZSA-N 414.509 3.556 0 1 HHAF CCS(=O)(=O)Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12 148364917 ZBVHUDDWTOVPQD-UHFFFAOYSA-N 422.514 3.509 0 1 HHAF Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)cc2)c1 169349580 LMMYRXURCHDBOR-DRYZZIBHSA-N 404.466 3.692 0 1 HHAF O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 205124283 QLMGEKZPUJMLKW-GOSISDBHSA-N 420.488 3.705 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587060368 CYNYQHXEVZZSGN-UHFFFAOYSA-N 402.863 3.789 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cnc(N)c(C(=O)O)c4)cc1)[C@@H](C2)C3=O 587434039 PHYJSTAHQPYNLG-KKSFZXQISA-N 402.406 3.526 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@H]1c1ccccc1)[C@@H](C2)C3=O 587450114 DEHVJVXKDFLFNP-QRJOEMBSSA-N 414.413 3.747 0 1 HHAF CC(C)(C)OC(=O)N[C@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587512774 PKJOEFAEOURLAD-OPAMFIHVSA-N 403.475 3.657 0 1 HHAF Cc1noc2ncc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc12 587660764 SQHIWUFMBSQJKN-UHFFFAOYSA-N 400.369 3.736 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2N)N1 587682405 LTHNJFXDZMDDLW-WJWGPLDTSA-N 415.104 3.952 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 587768252 TWJFKPFOVTXETG-HXPMCKFVSA-N 408.315 3.557 0 1 HHAF COc1cc(C)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799088 WDECHYQQDMXTLW-OVWNDWIMSA-N 405.267 3.635 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)NCc1ccco1 587858134 DCRSSDYWBGIXOX-UHFFFAOYSA-N 408.241 3.805 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccc(-c3cccnc3)o2)N1 962629923 GQTYKHWPBVCJGZ-UGSOOPFHSA-N 404.344 3.929 0 1 HHAF COc1ccc(-n2cc(C(=O)c3c(-c4ccccc4)nc4sccn34)nn2)cc1 1857594762 CNJTWROSJDCGMU-UHFFFAOYSA-N 401.451 3.883 0 1 HHAF CC[C@@H]1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)NC)cn21 1857770485 RPXMWNGPBSDKNC-GOSISDBHSA-N 418.493 3.970 0 1 HHAF COc1cccc(C2=N[C@@](C)(CC(=O)NCc3ccc(F)c(Cl)c3)ON2C)c1 205213226 LXDVZISVUJUIQV-HXUWFJFHSA-N 405.857 3.534 0 3 HHAF Cc1cc(Br)cnc1-n1ccnc1[S@@](=O)Cc1ccccc1N(C)C 13746167 NWQCXBOWUUEBPU-RUZDIDTESA-N 419.348 3.712 0 1 HHAF C[C@@H]([C@@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(Cl)cc2)CC1 28952121 NFGNMJPMZYHRDW-OYHNWAKOSA-N 414.933 3.630 0 1 HHAF CCOc1ccccc1NC(=O)CSc1nc2c3ccccc3nc-2c(O)n1C 100705115 FFZMLKNEYUOXOY-UHFFFAOYSA-N 408.483 3.908 0 1 HHAF O=C(NC[C@H]1CN(c2ccc(N3CCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1 113086835 PTKUFCDBZCKBJW-LBPRGKRZSA-N 409.870 3.506 0 1 HHAF Cc1nnc2n1-c1ccc(-c3cncc(S(=O)(=O)c4ccccc4)c3)cc1CC2 141923200 UARIGMPPYBYPPC-UHFFFAOYSA-N 402.479 3.569 0 1 HHAF COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OC[C@H]1CNCCO1 204972824 JEOWLIZJAIVOKN-OAHLLOKOSA-N 414.893 3.711 0 1 HHAF O=c1[nH]c2c3ncccc3c(Oc3cccc(F)c3)nc2n1Cc1ccc(O)cc1 299826175 ZIOVFFRDJZLGKQ-UHFFFAOYSA-N 402.385 3.958 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035524 RFZLPDWKDSJIBN-QGZVFWFLSA-N 405.545 3.559 0 1 HHAF FC(F)COc1cccc(-c2nc3c(I)cccc3[nH]2)n1 587123973 LXMJHXRBPULZSR-UHFFFAOYSA-N 401.154 3.873 0 1 HHAF Nc1ccc(F)c(Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 587141648 YPZCVNGLAJTVOD-UHFFFAOYSA-N 402.598 3.528 0 1 HHAF N[C@@H](Cc1ccc(I)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 587183764 IOKGZJCXIRBHEQ-JTQLQIEISA-N 416.625 3.598 0 1 HHAF O=C1COc2cc3[nH]c(/C=C\c4cccc(I)c4)nc3cc2N1 587184132 OBKVYAADXUQCNK-PLNGDYQASA-N 417.206 3.669 0 1 HHAF COC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355473 XTATVWGNFZYCIQ-CVDCTZTESA-N 414.429 3.807 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4CCCC4)c4ccccc14)[C@@H](C2)C3=O 587445355 VVKDITRSDDRDKH-BVZFJXPGSA-N 416.477 3.761 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c(Cl)cc12 587569699 IVUYGWPYLCOVEO-LAUBAEHRSA-N 411.772 3.994 0 1 HHAF CN1CCc2c(sc(N)c2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587618376 OHTFKJBZFFRMHK-AUSIDOKSSA-N 422.506 3.901 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)cc2Br)N1 587677760 BFBMDQLSHIQRFO-NXSYQRQQSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2N)N1 587684930 RLWROVNRINUGQY-NXSYQRQQSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587724469 IFYMQGRUNIOBON-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF C=CN1CC[C@H]([C@@]2(CSC)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587843598 IZZLIQOTXZQQFV-SUFBMKPHSA-N 413.356 3.673 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cn2cncn2)cc1 587869436 IODIXNCDEXVGIZ-UHFFFAOYSA-N 400.364 3.602 0 1 HHAF COc1ccc(-c2ccc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2)cc1OC 587928306 BUTMFPUPFVLLFC-UHFFFAOYSA-N 409.467 3.562 0 1 HHAF COc1ccc(OC2CCN(c3nc4ccncc4nc3NC3CC3)CC2)c(F)c1 653665408 VJLYHIYUUXPONE-UHFFFAOYSA-N 409.465 3.795 0 1 HHAF O=N[C@@H]1Cc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963177238 JNFHKJOLNWIGRG-LZLYRXPVSA-N 410.779 3.892 0 1 HHAF CC[C@@H](C)C(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 1857540194 RBQSRABBKGDQFV-JOGBAQKISA-N 420.590 3.891 0 1 HHAF CCOc1cc(CCNC(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)ccc1OC 772712 XOXKNTODLLHPCU-QFIPXVFZSA-N 416.905 3.847 0 1 HHAF Cc1nc2c(C(=O)NCCCN3CCC[C@@H](C)C3)cnn2c(C)c1Cc1ccccc1 3041046 VMLNAKFYBOPWCE-GOSISDBHSA-N 419.573 3.789 0 1 HHAF CCN(CC)CCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 5807606 UIVQCVUGAFSLNG-MTQWNXOMSA-N 412.574 3.858 0 1 HHAF O[C@@H]1CO[C@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@@H]1O 13385850 OYTSBTTZMCNVKQ-HWHRFOGPSA-N 422.868 3.694 0 1 HHAF biogenic CCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C(=O)CC)c(O)c(C)c2OC)c1O 14587073 HCBVMPCFHGDHJI-UHFFFAOYSA-N 418.442 3.616 0 1 HHAF biogenic CN1CC[C@H](n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1 28862236 AZMWVAJCQCQPGQ-AWEZNQCLSA-N 420.332 3.508 0 1 HHAF COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1 49110774 QFZSSVUVZJMPEP-UHFFFAOYSA-N 411.479 3.785 0 1 HHAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188950 IVOXHBYKMYQMOO-MRXNPFEDSA-N 408.550 3.767 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 82209863 WSXSPXCPVXBMGR-FQEVSTJZSA-N 422.504 3.670 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(-n5cccn5)c4)ccc31)[C@H]1CC[C@H](C2)N1 100633478 CMTQVGTYQKSHIY-FOIQADDNSA-N 418.522 3.546 0 1 HHAF COc1ccc(C2=NN(C(=S)NC(=O)c3ccc(Cl)cc3)C[C@@H]2C)c(OC)c1 103211420 GGGZCGVXHHBKBJ-LBPRGKRZSA-N 417.918 3.728 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](SCc3ccccc3)[C@H](C(=O)O)CN2S(C)(=O)=O)cc1 137009180 HFMLXTGVLHOILS-HSALFYBXSA-N 419.568 3.704 0 1 HHAF CC(C)N1CCC(Oc2ccc(C3(CNc4ccnnc4)CCOCC3)cc2)CC1 149473250 DTDCZRMTIIDTMM-UHFFFAOYSA-N 410.562 3.889 0 1 HHAF NC1=N[C@](CF)(c2cc(NC(=O)c3cc4ccccc4cn3)ccc2F)[C@H]2C[C@H]2O1 226109677 KPKKOJPCRYPPFK-DKZVUGQWSA-N 408.408 3.524 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OC/C=C/I)[C@H](c1ccccc1)C2 253782734 PTARSFHGDDMYOJ-VQHFWVABSA-N 411.283 3.745 0 1 HHAF CN1CCN(c2ccc3nc(CCNc4ccc(Br)cc4)[nH]c3c2)CC1 586995925 LWENAJRPZKDUBZ-UHFFFAOYSA-N 414.351 3.732 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 587237543 SPKQRSJINYRSKN-UHFFFAOYSA-N 423.897 3.658 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)c1ccccc1N)(c1ccccc1)O2 587389631 LVQBQLJIIFFMBT-DEOSSOPVSA-N 402.450 3.877 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(C(=O)OC)c1)CC2=O 587470833 ORIFPXRRCABNSM-QHCPKHFHSA-N 411.454 3.884 0 1 HHAF Cc1nnc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)s1 587616043 ATQXYZNMRDBFLJ-QGZVFWFLSA-N 409.467 3.553 0 1 HHAF COc1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587658533 SXVQZUHWUWQUPH-UHFFFAOYSA-N 424.432 3.990 0 1 HHAF CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 587730432 IRZIRGDPSPKQOI-OVWNDWIMSA-N 407.258 3.872 0 1 HHAF CCn1nccc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762409 YJJHKBKNIKIVAX-FSRVMCGMSA-N 407.331 3.658 0 1 HHAF Cc1ccc([C@@]2([C@@H]3CCC[C@H]3C(=O)O)NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962928921 UPBMEAIIZSNCEU-MZEQIWSPSA-N 420.553 3.895 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2coc3cc(Cl)ccc3c2=O)N1 963228967 PGIQPKNCTSTPOG-ICSRJNTNSA-N 406.825 3.683 0 1 HHAF C[C@]1(c2cc3c(cc2Br)NC(=O)CO3)NCCc2cc(Cl)ccc21 963390836 NJGLIYRBYHUCCZ-SFHVURJKSA-N 407.695 3.843 0 1 HHAF Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1 1772622820 ZFPBMSLYBMJULB-HSZRJFAPSA-N 417.509 3.688 0 1 HHAF COc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H]4CCCN4C)cc3n2)cc1Cl 1857591432 MANGYNJANWZUMH-KRWDZBQOSA-N 414.893 3.705 0 1 HHAF CC=C(C)C(=O)OCC(=CC)C(=O)OCC=Cc1cc(OC)c(OC)c(OC)c1 2356646409 AUNNXKURVSUQQS-UHFFFAOYSA-N 404.459 3.725 0 1 HHAF CC(=O)O[C@H]1[C@H](C)C=C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]2[C@@H](O)CC(C)=C[C@H]1OC(C)=O 2356652855 SJYTXRWLBZATEJ-QNTIOGEBSA-N 422.562 3.556 0 1 HHAF CCOCCCNC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(CC)cc3)oc2C)C1 5056122 QCPHZVUJCWJVQT-NRFANRHFSA-N 413.562 3.967 0 1 HHAF Nc1cccc(CN2C(=O)[C@H](NC(=O)Nc3ccccc3)CCc3ccccc32)c1 13798977 HPUMWWWYDYLUHT-OAQYLSRUSA-N 400.482 3.939 0 1 HHAF COc1ccc(OS(=O)(=O)O)c2cc3c(cc12)C(=O)c1occ2c1[C@@]3(C)CCC2 14885600 MIFKDWJRDXUQNW-NRFANRHFSA-N 414.435 3.810 0 1 HHAF biogenic COC(=O)[C@H]1Cc2c(n(C)c3ccccc23)[C@@H](CCC(=O)O)N1Cc1ccccc1 17194705 PWFSWGNUCOCART-NHCUHLMSSA-N 406.482 3.684 0 1 HHAF Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1CCCC[C@@H]1COCCCc1ccccc1 26388298 KHTHDTHIFBMWBR-RCZVLFRGSA-N 424.585 3.909 0 1 HHAF COc1ccc(-c2nc(Cn3ccnc3C)nc3cc(OC)c(OC)cc23)cc1OC 27562357 FBVKEEVPXLTELG-UHFFFAOYSA-N 420.469 3.884 0 1 HHAF O=C(NC(=O)c1ccc(Cl)cc1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 29398479 JLYMTTJSNBHGDN-INIZCTEOSA-N 400.891 3.761 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(CCO)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410532 VOCNVBNHMPOAMF-JJZNMPMXSA-N 418.622 3.697 0 1 HHAF COCCNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC 29556442 FDBDZTQUOIKCIZ-UHFFFAOYSA-N 420.872 3.789 0 1 HHAF CCN(C)CCCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40848122 NCTRQLDFFFBOHV-HSZRJFAPSA-N 411.498 3.805 0 1 HHAF Cc1c(C)c2ccc(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O 82059573 KYOZFCGRLRKQNZ-LLJLJFOGSA-N 413.514 3.639 0 1 HHAF NCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 82081798 LYJPOJGYTXFCMU-UHFFFAOYSA-N 415.902 3.509 0 1 HHAF CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1coc(-c2cccs2)n1 82083411 PLSLNFVHGNGQFG-MRXNPFEDSA-N 420.579 3.540 0 1 HHAF CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccc(Br)cc2)C1 84713183 FCMKNPBNUXNASB-UHFFFAOYSA-N 407.308 3.535 0 1 HHAF CC(C)(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccsc3)ncc2C(N)=O)cc1 96938264 MRMKNRXRPLGIQT-UHFFFAOYSA-N 423.542 3.752 0 1 HHAF Cc1cc(C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)c(C)n1Cc1ccco1 101800507 GXCBLGBSNFXKLD-JSODFGIGSA-N 411.498 3.803 0 1 HHAF CC(=O)Nc1ccc2sc(S(=O)(=O)Nc3cccc(C(=O)O)c3)c(C)c2c1 114594691 GLJSZMFDUAIESJ-UHFFFAOYSA-N 404.469 3.667 0 1 HHAF CC(C)(CO)NCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 114800816 QSYXOEHBHZYUKF-UHFFFAOYSA-N 417.509 3.649 0 1 HHAF COc1cc2c(c(O)c1[C@H](C)c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 238750702 ZCHCYEGLUJFMGI-NJDYNZTKSA-N 422.433 3.641 0 1 HHAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1C 586947532 QXWPETSJWPZKIV-UHFFFAOYSA-N 420.494 3.746 0 1 HHAF CN(C)CCOc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003388 KMLTULHKJHHDOQ-UHFFFAOYSA-N 400.280 3.809 0 1 HHAF CCOC(=O)Cc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043879 WMEZZWMKPHZOER-QGZVFWFLSA-N 415.902 3.977 0 1 HHAF 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O=c1[nH]c2cccc(N3CCN(Cc4ccnc(-c5ccc(F)cc5)c4)CC3)c2o1 52594809 OPIFKCUXRNZZDK-UHFFFAOYSA-N 404.445 3.644 0 1 HHAF CC1=C(C(=O)Nc2ccccc2)C(c2ncc[nH]2)C(C(=O)Nc2ccccc2)=C(C)N1 72112671 DJQYCFZJHUURCI-UHFFFAOYSA-N 413.481 3.922 0 1 HHAF CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82205018 VPYTZBNLTXPILD-SFHVURJKSA-N 412.534 3.502 0 1 HHAF CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 110904010 VOGCMEWLCBQHHN-ROUUACIJSA-N 424.478 3.908 0 1 HHAF CCN1CCC[C@H](NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1 141250905 IQSQKAUSHODDNU-FQEVSTJZSA-N 420.513 3.838 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1CC[C@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1 145549674 FMDLLJUHVSZUIY-FPOVZHCZSA-N 416.525 3.996 0 1 HHAF Cc1ccccc1-c1cc2c(cc1[C@@H]1CCN(C)C[C@@H]1C)N1C(=NNC(=O)[C@H]1C)CO2 145861577 PNOIXUPKCFJNKY-YQVWRLOYSA-N 418.541 3.748 0 1 HHAF CCc1nc(C)c(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)o1 169708003 CIXBSBTXEHEJMI-UHFFFAOYSA-N 418.457 3.749 0 1 HHAF Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)N2CCC(F)(F)CC2)cn1 207693324 ICTBFCNLTVBFTH-INIZCTEOSA-N 412.843 3.780 0 1 HHAF CC(C)Oc1cc2c(-c3cc(N4CC[C@@H](n5cccn5)C4)ncn3)n[nH]c2cc1F 225558508 PNFAOLLMWAZZDE-CQSZACIVSA-N 407.453 3.594 0 1 HHAF CN(C)CCCn1c(/C=C/c2ccc3c(c2)OCO3)nc2cc(Cl)ccc2c1=O 299867758 YSCZQUVSQBOPQC-WEVVVXLNSA-N 411.889 3.901 0 1 HHAF COc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1Cl 586955666 KSJBJDXJKFFRAW-UHFFFAOYSA-N 412.298 3.940 0 1 HHAF Sc1nc(S)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2n1 587080257 BLYGNQIXTIGNQB-UHFFFAOYSA-N 411.903 3.960 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(F)(F)F 587091090 BBHASPCDOLOJGI-LJQANCHMSA-N 404.392 3.611 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)nc12 587143305 APNTXDXUVWUCDT-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF Fc1ccc(Br)c(-c2nnc(CCc3nc4nc(Cl)c[nH]c-4n3)o2)c1 587158453 YPVFOIRRQBQFOE-UHFFFAOYSA-N 423.633 3.695 0 1 HHAF COc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1OCC(=O)NC(C)C 587225739 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HHAF COC(=O)Cc1cc(OC)n(-c2cnc3cc(Br)ccc3c2)c1OC 587941069 RKOGYMFPEAEAJU-UHFFFAOYSA-N 405.248 3.521 0 1 HHAF COc1cc(C(=O)N[C@H](CNCc2cc(C)c(OC)cc2C)c2ccccc2)no1 653844009 WGNOJCVWTLUVQK-HXUWFJFHSA-N 409.486 3.570 0 1 HHAF O=C(CSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 1857609980 QRYCUSXBKIUASA-UHFFFAOYSA-N 414.556 3.776 0 1 HHAF COc1ccc(C[C@@H](O)/C=C/C=C/C(=O)NCc2ccc(Cl)cc2)cc1OC 1857633482 PWCZLEWNNKXMDV-MIGZHWFPSA-N 401.890 3.689 0 1 HHAF COc1cccc2oc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c12 1857656526 FOEMWEVHSFNASA-UHFFFAOYSA-N 420.509 3.834 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356388391 CVMYPIVCFZBKQQ-HBMCJLEFSA-N 400.567 3.650 0 1 HHAF COC(=O)CC[C@H](NC(=O)C[C@@H](O)CCCCCCCCCC(C)C)C(=O)OC 2356549185 UQURVAIEMADBIE-OALUTQOASA-N 415.571 3.515 0 1 HHAF C[C@H](CNCCCn1ccc(NC(=O)OCc2ccccc2)nc1=O)c1ccccc1 61936079 RQRQTKVPOGAKDV-LJQANCHMSA-N 420.513 3.775 0 3 HHAF O=C(NCc1cccc(Cl)c1)c1coc(N2CCN(Cc3ccccc3)C2=O)n1 206055508 ABYQLYZAFADROM-UHFFFAOYSA-N 410.861 3.700 0 3 HHAF O=C(O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1959102 ZJKWOTANHBRJKK-UHFFFAOYSA-N 410.735 3.839 0 1 HHAF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4206003 OQQWUYHRAIBGEQ-AZUAARDMSA-N 401.894 3.627 0 1 HHAF C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)NCc3ccccn3)c1)c1ccccc1O2 4904147 KWWYOZBKAPXWBH-RDPSFJRHSA-N 414.465 3.781 0 1 HHAF CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737484 VSYRBXOPZYZLRP-PXNSSMCTSA-N 408.527 3.979 0 1 HHAF COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ncccc5c4)C3)c2cc1OC 14956492 RLWDDGNDSFIKAI-QGZVFWFLSA-N 402.454 3.853 0 1 HHAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc3cnccc23)N2CCNCC2)cc1 22939846 WAXHVFCFNPHKLK-DEOSSOPVSA-N 402.542 3.711 0 1 HHAF CC(C)c1sc(CO)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 27632801 OTSVPKASEZEHDA-XLBHYRNJSA-N 408.491 3.770 0 1 HHAF COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N(C)C)cc2NC3=O)ccc1N 28710753 ZSBZMBUCPBGUQL-UHFFFAOYSA-N 416.481 3.884 0 1 HHAF O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(OCCCN2CCOCC2)c1 40863409 PJHHZXLCTNDDIK-UHFFFAOYSA-N 422.447 3.988 0 1 HHAF COC[C@H]1COc2c(F)ccc(F)c2[C@@]1(C)S(=O)(=O)c1ccc(Cl)cc1 49071208 JAXRDWPZVKYNGA-VOJFVSQTSA-N 402.846 3.962 0 1 HHAF C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@@H]2CC1 82052137 FEFXVKIJLJCFDJ-WVNKPZIXSA-N 410.558 3.692 0 1 HHAF CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)O 84586612 GHYCZFFOTFFEPA-UHFFFAOYSA-N 402.535 3.681 0 1 HHAF O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)n2n1)C1CC1 96174625 PFKFICBDHPHHLW-UHFFFAOYSA-N 411.456 3.976 0 1 HHAF COc1ccc(F)cc1-c1cccc(-c2nn(CCO[C@@H]3CCCCO3)c(=O)o2)c1 98082221 RHJWXTAEDPJWJW-HXUWFJFHSA-N 414.433 3.861 0 1 HHAF O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 100106337 VKCRXWSEDGLRLK-ZBYYUNFXSA-N 406.436 3.999 0 1 HHAF C[C@H](CO)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147586476 TUEHGYXYUFBFQH-CYBMUJFWSA-N 405.903 3.658 0 1 HHAF Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)n1 166155481 DCINXWXELPUCCO-KRWDZBQOSA-N 417.513 3.866 0 1 HHAF COc1ccc2cccc(CCNC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 169312008 LUQQDPCIPWGMPY-UHFFFAOYSA-N 413.518 3.653 0 1 HHAF Cc1ncc(-c2ccc(=O)n(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1 209425035 UXXFFKBUCSATQF-MJGOQNOKSA-N 402.498 3.525 0 1 HHAF C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C[C@@H](C)O1 224757893 VJCSRRUCILKYAQ-GASCZTMLSA-N 406.461 3.781 0 1 HHAF C/C=C1\C[C@@H]2[C@@H](OC)Cc3c([nH]c4ccc(OC)cc34)[C@H]2C[C@@H]1[C@H](CO)C(=O)OC 238774850 LIJUHCYJZPDEAU-DYQOKDFCSA-N 413.514 3.585 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586891289 PPFPURMSVOIAHJ-FOIQADDNSA-N 401.532 3.787 0 1 HHAF O=S(=O)(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 586921140 ZFVYZASQKHZISY-UHFFFAOYSA-N 410.417 3.967 0 1 HHAF O=Cc1cc(Br)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586983051 VADYFDBKFHNLFZ-UHFFFAOYSA-N 424.258 3.864 0 1 HHAF N[C@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Br)cc1 586998214 ZIIPNWCFRFRXHX-CQSZACIVSA-N 400.255 3.893 0 1 HHAF CCOC(=O)Cc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197031 GWYJQNOINZNGFU-MRXNPFEDSA-N 417.506 3.585 0 1 HHAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587202502 IXOZOAGYLWJNQL-LBPRGKRZSA-N 409.229 3.707 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN(C)C)c(Br)c1)O2 587376198 IEVODZZEIHEVJD-LJQANCHMSA-N 419.319 3.987 0 1 HHAF CCOC(=O)[C@@H]1CCN(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395483 MVCLNWQYRNVKLM-CPJSRVTESA-N 422.525 3.757 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1cn(CC(=O)O)c4ccccc14)(C1CC1)[C@@H](C2)C3=O 587431982 SKIPUFFVRDJBGY-XDHUDOTRSA-N 403.434 3.787 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(COC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O 587476452 UKBWGLRVKGZBFX-HSZRJFAPSA-N 417.502 3.849 0 1 HHAF CS(=O)(=O)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567733 BNGXDSOUMQXYBQ-RXVVDRJESA-N 414.410 3.638 0 1 HHAF COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587577772 LQWMHZCXGCNOBG-REWPJTCUSA-N 407.422 3.869 0 1 HHAF O=C(O)c1ccc2c(c1)OC=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608022 IVWICIQATCBIFP-AUSIDOKSSA-N 402.358 3.854 0 1 HHAF CCn1ncc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587766313 VGBQEEMRQPXMPV-KWKQTUKZSA-N 421.358 3.966 0 1 HHAF COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789530 CLRFJWCGZRWHCQ-WLRWDXFRSA-N 408.267 3.764 0 1 HHAF Cc1cc(C)c([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587825124 FVFQQLMOJYJVPR-RBZFPXEDSA-N 408.311 3.602 0 1 HHAF COc1ccc(OC)c(-c2nc3ccc(I)cc3[nH]2)c1OC 587924970 CSQMCYMRQRTMEL-UHFFFAOYSA-N 410.211 3.860 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccncc3OC(F)(F)F)N12 962667544 NJBDTTQOEAFYFY-PXNSSMCTSA-N 417.387 3.716 0 1 HHAF CC(C)c1ccc2c(c1)[C@]1(N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)C(=O)N2 962966826 ATIQKFNDUZEYCD-MGPUTAFESA-N 406.816 3.536 0 1 HHAF COCCN[C@H]1CCc2c(sc3ncn(Cc4ccc5ccccc5c4)c(=O)c23)C1 1772628794 SILYOVAHLPFJQF-IBGZPJMESA-N 419.550 3.753 0 1 HHAF Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2CNCC[C@H]2c2ccccc2)oc1Cl 1857570239 MVGKTBRSCGMQRY-BBRMVZONSA-N 419.312 3.862 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCOC 4207025 WUKAYFMVPRWIEX-CTNGQTDRSA-N 416.905 3.983 0 1 HHAF O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCN(c2ncccn2)CC1 4958451 OQJOWLLJBUUROV-UHFFFAOYSA-N 407.905 3.519 0 1 HHAF Cc1cccc(NC(=O)CCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1C 8593892 QMTRMMNXGLVNSG-UHFFFAOYSA-N 415.497 3.845 0 1 HHAF CS(=O)(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 13744991 YKIRCJJHYFQESU-IBGZPJMESA-N 417.527 3.918 0 1 HHAF COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 13803863 WKZCGSBCECDYOD-UHFFFAOYSA-N 413.949 3.840 0 1 HHAF COc1ccc(-c2cn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c23)cc1 27993351 BTTMLBSKRMZJEQ-OAHLLOKOSA-N 409.490 3.871 0 1 HHAF Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21 28524112 NCQGKSDMMYTOCJ-UHFFFAOYSA-N 408.458 3.808 0 1 HHAF Cc1ccn(O)c(=O)c1N(C)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 29128919 QVVWOFJAPGVZJV-UHFFFAOYSA-N 420.874 3.665 0 1 HHAF Cc1cccc2nc(N3CCN([C@@H](C(=O)O)c4ccccc4)CC3)c3cccn3c12 40424626 BAZZAIKMNMNZJS-JOCHJYFZSA-N 400.482 3.744 0 1 HHAF NC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1NCc1ccccc1 53277619 RVPIGKDPXAQVSI-UHFFFAOYSA-N 402.502 3.922 0 1 HHAF NC(=O)c1cnc(NC[C@@H]2CSCN2)c2cc(-c3ccc(Cl)cc3)sc12 64560586 BEJUHBMWHUKJJF-GFCCVEGCSA-N 404.948 3.790 0 1 HHAF O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(Cl)c1)c1ccccn1 66123669 OEBCNNQIIONBQQ-JSVGYJQLSA-N 407.857 3.689 0 1 HHAF COc1ccc(CC(=O)O)cc1-c1nc(=O)n(Cc2ccccc2)c2ccccc12 84617066 ADERDZOXBXJGOG-UHFFFAOYSA-N 400.434 3.748 0 1 HHAF N[C@H]1C[C@@H](N2Cc3cnn(CC4CCCC4)c3C2)CO[C@H]1c1cc(F)c(F)cc1F 96177958 WYGKUKXERKWQET-PDXHDDNESA-N 420.479 3.664 0 1 HHAF COc1cccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)c1 148527498 ZKIDUYABMPNYCF-SFHVURJKSA-N 424.522 3.630 0 1 HHAF COc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1 167329109 WGFSLPFYDPNSCW-HNAYVOBHSA-N 421.522 3.728 0 1 HHAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccc(OC(F)(F)F)cc21 169722214 MZKUNDAMPNORKF-HNNXBMFYSA-N 412.295 3.945 0 1 HHAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)c(Cl)c2)CC1 207252658 FCJWJQQWJZDVHM-UHFFFAOYSA-N 417.362 3.609 0 1 HHAF COc1cccc(-c2nc(C(=O)N[C@@H](CC(=O)O)c3ccccc3F)ccc2OC)c1 261072592 AIUMMANKNSGYFW-IBGZPJMESA-N 424.428 3.851 0 1 HHAF COc1cc2nc(/C=C/c3ccc(F)cc3)n(CCCN(C)C)c(=O)c2cc1OC 299863527 PIUKQDNELLLYFS-DHZHZOJOSA-N 411.477 3.675 0 1 HHAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 299880769 MVLMLUFVSRJKDS-AKFKNWHVSA-N 419.525 3.639 0 1 HHAF COC(=O)c1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587000103 MBENCHTVLIEVMS-UHFFFAOYSA-N 415.199 3.591 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587043070 PCYJATHFOPCELI-MSOLQXFVSA-N 411.487 3.573 0 1 HHAF O=C1COc2cc3[nH]c(-c4cccc(NC(=O)c5ccc(F)cc5)c4)nc3cc2N1 587162462 COQJLRYTBZJXGY-UHFFFAOYSA-N 402.385 3.952 0 1 HHAF Fc1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 587186743 RCQIPKDPGFIWCU-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587357366 NDNCATYUDLYRQX-VWNXMTODSA-N 422.408 3.549 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H](OCc1ccccc1)[C@H]1COC(C)(C)O1)[C@@H](C2)C3=O 587448094 BMABLFMFSVKPLX-WTYSZDEDSA-N 410.466 3.548 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587448915 NCVQDGRVAQQJEZ-CVDCTZTESA-N 423.490 3.705 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](N=O)C(=O)Nc1ccccc1OC)CC2=O 587467648 BKTZMZSGMZYJIY-UNMCSNQZSA-N 412.442 3.851 0 1 HHAF C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@H]2O 587561952 YMSRPODMIPJIBN-NICDVHQRSA-N 407.514 3.979 0 1 HHAF CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc21 587572927 XNKFOJGGQFNAIV-WMZHIEFXSA-N 405.381 3.755 0 1 HHAF COC(=O)CC[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577093 JAPTZMJBJWYTSC-URXFXBBRSA-N 419.433 3.785 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602319 HUGNEDVBLGLVHG-YKSBVNFPSA-N 418.401 3.602 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncncc2Br)N1 587680296 PFLXRVGEUIRDAS-ANRSDYALSA-N 415.104 3.938 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749025 ZPALDTIPASEUNM-YGXXALDZSA-N 421.310 3.787 0 1 HHAF COc1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867550 JCZWQZQOPWOZCS-UHFFFAOYSA-N 407.348 3.700 0 1 HHAF COC(=O)c1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)n(C)c1C 962650796 ZYWLOBPMJRBUPW-BWKNWUBXSA-N 415.537 3.956 0 1 HHAF COc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)nc2)cn1 1772569940 WMZAJSFSANKSNV-UHFFFAOYSA-N 421.888 3.707 0 1 HHAF Cc1cc(-c2nc3cnc(N4CCOC[C@@H]4C)cc3n2[C@H](C)CC2CC2)cn(C)c1=O 1772624700 UOAYQUDPHYEXAA-SJORKVTESA-N 421.545 3.692 0 1 HHAF O=C(Cc1ccc2c(c1)OCO2)NCc1cc(C(F)(F)F)nn1-c1ccc(F)cc1 1911575333 SUWRBSPRRIHMNG-UHFFFAOYSA-N 421.350 3.618 0 1 HHAF COc1ccc2nc(C[C@@H]3CN(Cc4cccc(F)c4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302733 WFADAJGRKZLDFK-DLBZAZTESA-N 411.477 3.866 0 1 HHAF Cc1nc(-c2ccc(F)cc2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNCc2ccccn2)n1 2356846589 OOQLWENXEADAET-VJBMBRPKSA-N 417.532 3.954 0 1 HHAF Cc1cc2nc(C3CCN(Cc4nnnn4Cc4ccccc4)CC3)[nH]c2cc1C 4966596 BKIOGOWYGSGBSJ-UHFFFAOYSA-N 401.518 3.594 0 3 HHAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCCc2ccccc2)O3)cc1 61905228 CSXKOPXEKQLMCV-RUZDIDTESA-N 401.510 3.867 0 3 HHAF C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccccc1 4845671 LOAFSWHUOUKUPQ-FIRQYLKGSA-N 416.521 3.506 0 1 HHAF O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12CC3CC(CC(C3)C1)C2 13725656 NBZFTGRXERNYTE-UHFFFAOYSA-N 420.513 3.648 0 1 HHAF Cc1oc(-c2ccc(O)cc2)nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26577177 DCHZPXVXSQBPOI-IBGZPJMESA-N 424.478 3.871 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(NC(C)=O)cc1 27864998 OPNHFPLCEIHYOS-NRFANRHFSA-N 409.486 3.908 0 1 HHAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 49033805 ITNAVXKZRXMAMT-CALCHBBNSA-N 408.564 3.757 0 1 HHAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)NCCN2CCCC2)c1 49054135 SVBDTKQOSQKNGU-UHFFFAOYSA-N 404.873 3.949 0 1 HHAF O=C(NC(=S)Nc1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 72107418 MUNAXLKAZVPJJM-UHFFFAOYSA-N 401.289 3.966 0 1 HHAF Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C21CCOCC1 72181665 WSOGWKHXEPNCKA-UHFFFAOYSA-N 403.438 3.903 0 1 HHAF COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccccc5s4)C[C@H]3C2)c(OC)c1 116825844 FINDUWPLIUUSHQ-GASCZTMLSA-N 409.511 3.522 0 1 HHAF Cc1sc2ncnc(N3CCC(CNCC[C@@H]4CCCCN4C)CC3)c2c1C 146353907 FLYIZUDEYXJSEO-IBGZPJMESA-N 401.624 3.989 0 1 HHAF C[C@H](Oc1cc(C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)ncc1C1CC1)C(F)(F)F 146456374 LCIYQPVAYMSKLA-MEDUHNTESA-N 415.456 3.521 0 1 HHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCN(C)C)cc3)oc2c1 168820954 DFTTYRUTVWMLDU-OAHLLOKOSA-N 406.486 3.685 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)cc1 586931530 WWKLGMIBVQVIGP-UHFFFAOYSA-N 407.495 3.856 0 1 HHAF COC(=O)c1ccnc2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc12 586968101 MRLCCPGZVDKHRJ-UHFFFAOYSA-N 414.878 3.579 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984545 SHDJBHCCAXQWBO-HNNXBMFYSA-N 402.292 3.674 0 1 HHAF COC(=O)c1cc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2cc1OC 587029234 KNFBHWJFPIPUFU-UHFFFAOYSA-N 419.466 3.880 0 1 HHAF CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587125724 SQKBHEOAWOXZPU-MEBBXXQBSA-N 407.396 3.840 0 1 HHAF COc1nccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587157180 ICAWNESKQBMODC-UHFFFAOYSA-N 418.226 3.703 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2Cl)c1 587160761 GGKYGUPTCAQENS-UHFFFAOYSA-N 407.739 3.984 0 1 HHAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Br 587547618 QPAWMLATZFDELP-PBHICJAKSA-N 401.216 3.591 0 1 HHAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587567609 HYHYVNUMMIMLCM-WIYYLYMNSA-N 414.410 3.638 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COC(=O)c2ccccc2N)N1 587750100 RKQQWSSYJQFAKS-WYRIXSBYSA-N 407.283 3.777 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 587775244 RQABNWPVHYMVGQ-RBZFPXEDSA-N 420.326 3.618 0 1 HHAF CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794250 GINCMRSFKKXIIV-CENXUZMRSA-N 412.299 3.640 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc4c(cc32)OCO4)N1 587837391 GJUUXDOAVLJKRK-APBUJDDRSA-N 406.251 3.877 0 1 HHAF COc1cccc([C@]2(C[C@@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1 962575250 VWAWTQQMOMGKJH-JRLRZGBRSA-N 413.514 3.943 0 1 HHAF C[C@@]1(CC(=O)NCc2ccc(Cl)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962766712 OUQXOSPKEXZPCK-PXNSSMCTSA-N 424.850 3.907 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CCC2OCCCO2)(c2ccc(Cl)cc2)N1 962907037 SCXRBOVZHJQJLW-SIKLNZKXSA-N 419.880 3.865 0 1 HHAF CC(C)(C)c1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)[nH]n1 962928491 YQHZYEYXFHDXGI-FPOVZHCZSA-N 407.470 3.893 0 1 HHAF COc1ccc(C[C@@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cn1 963174417 GKLLRLISTHDXKL-FZKQIMNGSA-N 414.811 3.819 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3cccs3)c(OCc3ccccn3)ccc12 1772624124 RZGKNUSCKNFIOW-UHFFFAOYSA-N 421.478 3.727 0 1 HHAF Cc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCN(C(=N)N)CC3)n2)c1 1857603696 LTVHUTQVMLLORB-UHFFFAOYSA-N 405.506 3.588 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 72135758 CLJGOZDTAJBVNC-SFHVURJKSA-N 409.866 3.714 0 3 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153396 YTQIWACAWZKGIH-IGGJEDBVSA-N 414.527 3.658 0 1 HHAF Cc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(C)c2ccc(N)cc2)CC1 13863939 RSKVMEZLVPQDEG-UHFFFAOYSA-N 405.546 3.928 0 1 HHAF CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@@H]3CC[C@@]21C 26186241 HKMYJCGBZHDCCU-ZFXLENRKSA-N 420.619 3.789 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([S@@](C)=O)cc1 27863262 KPJYNEDTNNPOJQ-WRONEBCDSA-N 414.527 3.687 0 1 HHAF Cc1cc2c(cc1C)O[C@H](CN1CCC(n3c(=O)[nH]c4cc(F)ccc43)CC1)CO2 27893294 MQTFWUUDHZHRKG-GOSISDBHSA-N 411.477 3.562 0 1 HHAF CCOC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CCC2)CC1=O 28092987 WGGZGLFJLLBHIR-BBNRHVKASA-N 411.542 3.522 0 1 HHAF Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccccn2)n1 28569955 WCPNRKMYZQYOSI-UHFFFAOYSA-N 416.441 3.962 0 1 HHAF CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 28712943 UJRUQLNCVSHWFC-RQTOMXEWSA-N 406.526 3.629 0 1 HHAF Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12 34842835 VIOYJEOXCCYVDO-UHFFFAOYSA-N 406.465 3.731 0 1 HHAF CCN[C@@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 45283538 JQJAXXDGYABEDK-OAHLLOKOSA-N 422.377 3.911 0 1 HHAF CCc1oc(=O)c(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)CC3)c(O)c1C 60274313 SIYARFQSKMGDGU-UHFFFAOYSA-N 402.443 3.524 0 1 HHAF biogenic COC(=O)c1ccc(CN2C(=O)[C@@]3(OCCC=C[C@@H]3C)c3cc(OC)ccc32)cc1 66123635 QTMVZSYYVSLFPK-FYSMJZIKSA-N 407.466 3.837 0 1 HHAF COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3c2NCN3C(C)C)cc1 70719195 RKHHKOMUVDCQRO-QGZVFWFLSA-N 414.554 3.514 0 1 HHAF COc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OCCCF 96283873 NSUSCUNUJRIUCF-UHFFFAOYSA-N 421.523 3.804 0 1 HHAF CC(C)[C@@H](O)Nc1nc(Nc2cccc(-c3ncccn3)c2)c2ncn(C(C)C)c2n1 103185612 CIDXXRSLUUUBDG-OAQYLSRUSA-N 418.505 3.994 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1cccnc1 104229350 UUXOCTNHZXOEGT-OHQAAIJDSA-N 415.415 3.794 0 1 HHAF COc1ccc(CN2CCOc3ccc(CN4CCCC[C@H]4CO)cc3C2)c(F)c1 104334367 VBQWXXOAWQIDLX-NRFANRHFSA-N 414.521 3.576 0 1 HHAF C[C@]1(c2cccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)c2)COCC(N)=N1 113658687 SDYYCLKSRHASQS-QGZVFWFLSA-N 412.799 3.609 0 1 HHAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccc4Cl)ccc1c23 169308112 YFMAKAHUXUDKSK-UHFFFAOYSA-N 400.887 3.952 0 1 HHAF O=C(Nc1cnccc1OC1CCNCC1)c1cccc(-c2c(F)cccc2F)n1 205518784 MOYQBNCJLIJEOA-UHFFFAOYSA-N 410.424 3.805 0 1 HHAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C[C@H]12 299845223 DKZPDNPWKHTWCC-YWIRWFRESA-N 414.498 3.941 0 1 HHAF COc1ccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2n1 586930327 BTQDXWCMISAUJK-UHFFFAOYSA-N 408.483 3.767 0 1 HHAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F 587149467 HFYURZUUVNUJCO-HXUWFJFHSA-N 404.380 3.985 0 1 HHAF CN(C)CCOc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587167647 AVVHEEZGCVBNAY-UHFFFAOYSA-N 406.465 3.768 0 1 HHAF Nc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cnc2c(F)cccc12 587176823 UHKLNGSZVGUASG-UHFFFAOYSA-N 401.405 3.559 0 1 HHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)(C)C 587204576 KMAIZYUGDDSEEN-LJQANCHMSA-N 416.566 3.877 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 587326774 DAZOADRDBISNII-DENIHFKCSA-N 414.816 3.750 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345736 GKHIXYXOHGEAEX-NZQKXSOJSA-N 405.381 3.746 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587451694 QZDABPMWLNUQRZ-UQBPGWFLSA-N 412.397 3.629 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4-c4nc5nc(O)nc(O)c5cc4[C@H]3[C@@H]1CC[C@@H]2O 587561636 UKKUSOYXKMVNHB-FSLQZCRMSA-N 405.454 3.560 0 1 HHAF Nc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587575798 DKDARXKAJBZAAZ-NFBKMPQASA-N 405.406 3.696 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2Cn1cncn1 587582817 RFKRYBOBJDLVOP-GRWTVWFQSA-N 405.454 3.965 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 587762270 RWOKIBNCOSXMMU-MEDUHNTESA-N 417.278 3.850 0 1 HHAF COC(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806669 KPPKZTXAYYSGQU-FKIZINRSSA-N 422.294 3.938 0 1 HHAF CN1CC[C@H](N(C)C[C@H]2CCN(c3ncnc4scc(-c5ccccc5)c34)C2)C1 653665974 OAGQMQRJPNEZHJ-MJGOQNOKSA-N 407.587 3.821 0 1 HHAF CCn1ncc(C(=O)C[C@@]2(C(F)F)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1C 962639038 XULSROUSNGSAQA-XMHCIUCPSA-N 421.488 3.838 0 1 HHAF C[C@H]1CN(c2nc(N3CCOCC3)c3sc(-c4ccsc4)cc3n2)C[C@@H](C)O1 1772585054 SROFAXBYXRBTFV-OKILXGFUSA-N 416.572 3.870 0 1 HHAF Brc1ccccc1C[n+]1ccn(Cc2c3c(cc4c2OCC4)OCC3)c1 1772611693 OXWFCMFDGRNFGY-UHFFFAOYSA-N 412.307 3.505 0 1 HHAF C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(S(C)(=O)=O)cc1 1857558781 BGWIPRVWPGFQAE-UHFFFAOYSA-N 404.285 3.797 0 1 HHAF COc1cc2c(cc1OCCCC(=O)Nc1ccc(O)cc1)N=C[C@@H]1CCCN1C2=O 1857601090 MXMBKCCUEPCVIB-INIZCTEOSA-N 423.469 3.519 0 1 HHAF COc1ccc(CCNC(=O)N(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 1857772530 SGHANOAFRHZLBE-UHFFFAOYSA-N 416.477 3.951 0 1 HHAF CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(C)C[C@H](c3ccccc3)N(C)CCN12 2356834594 KCWUHYUAIRAHNB-QPPBQGQZSA-N 406.530 3.787 0 1 HHAF COc1cc(OC)cc(-n2nc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3c2=O)c1 4731110 IGJPYMPOZGPXNG-HOTGVXAUSA-N 421.497 3.521 0 3 HHAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2s1 3788932 ZOSMLZOMKXVTCW-QGZVFWFLSA-N 413.524 3.706 0 1 HHAF CCOC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 6403480 HFGQSEUSMMJEGO-INIZCTEOSA-N 409.479 3.999 0 1 HHAF COc1cc(CN2C(=O)CC[C@H]2CCNCc2ccc(F)cc2)cc(OC)c1OC 11870699 LIVGYOAHZZXZEC-IBGZPJMESA-N 416.493 3.522 0 1 HHAF COc1cc(C)c2c(OC)c(-c3c(O)c4c(C)cc(O)cc4oc3=O)c(=O)oc2c1 13376846 LESVQQSUHUNTRC-UHFFFAOYSA-N 410.378 3.612 0 1 HHAF biogenic COc1ccc(CNC(=O)[C@H](CCOC2CCCCC2)NC(=O)OC(C)(C)C)cc1 13478458 NCFFWNMQMVCBPT-FQEVSTJZSA-N 420.550 3.944 0 1 HHAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)NC[C@@H]2C)cc1 22939633 ORJHTPASYZWOQJ-YDIMBITNSA-N 409.574 3.949 0 1 HHAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@@H](C)C(=O)N1CCSCC1)C2 25206567 VCLHTUNFLPHNJY-MJGOQNOKSA-N 404.620 3.560 0 1 HHAF biogenic CCCCc1cc(O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28251813 PMFOEBYVDYZGRZ-UHFFFAOYSA-N 401.470 3.792 0 1 HHAF CC(C)(C)c1ccc(CNC(=O)CCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 40394918 UZKMHYWIHBVULY-UHFFFAOYSA-N 406.523 3.744 0 1 HHAF Cc1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1 40892218 LAZUCJLOPZYGSL-UHFFFAOYSA-N 407.499 3.504 0 1 HHAF O=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 49125917 LVMFQWIGMYGYMO-UHFFFAOYSA-N 405.285 3.807 0 1 HHAF COc1ccc(-c2noc(-c3ccc(C)cc3)c2S(=O)(=O)CC2=NCCO2)cc1 72116788 TYUZJEMDBQOBFQ-UHFFFAOYSA-N 412.467 3.528 0 1 HHAF COc1cccc(CNC(=O)c2[nH]c3cc(-c4cn[nH]c4)ccc3c2CN(C)C)c1 73196363 IIEPLDYDLYBUEY-UHFFFAOYSA-N 403.486 3.558 0 1 HHAF O=c1ccoc2cc(OCc3cn(Cc4ccc(Br)cc4)nn3)ccc12 84670894 YQXPWFMKRKXYKD-UHFFFAOYSA-N 412.243 3.774 0 1 HHAF C[C@]1(O)C[C@@H](c2nc(-c3ccc([C@H](O)c4ccccc4)cc3)c3c(N)nccn32)C1 100619038 OKZMCXPKJYHEPF-JLGINSKQSA-N 400.482 3.689 0 1 HHAF O=C(COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(F)cc1 100624156 NUKMQEGPLUMHGV-ZNUTWUMQSA-N 417.436 3.645 0 1 HHAF CN(C)C[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103169445 XCAVMLCJSDRDDZ-IBGZPJMESA-N 407.301 3.827 0 1 HHAF CC1=NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 169687134 PSDXASFUMCQYGS-QZTJIDSGSA-N 400.818 3.654 0 1 HHAF O=[S@@](CCCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1 586960917 QXGVAXKZYMEYGQ-DEOSSOPVSA-N 407.289 3.795 0 1 HHAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)OC)cc3[nH]2)cc1 587041077 VPAAIMRJFWGALR-SFHVURJKSA-N 411.483 3.636 0 1 HHAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587193523 CLBKRVNRVJOJAC-ZDUSSCGKSA-N 402.417 3.979 0 1 HHAF C[C@@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521518 CHJRXFNPYORRJG-QHCPKHFHSA-N 405.454 3.900 0 1 HHAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl 587550846 CFIUFXLCTUFJEA-APWZRJJASA-N 411.797 3.930 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cn2)N1 587678880 DJAHBTWKBXLQFV-ANRSDYALSA-N 415.104 3.938 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 587723036 UVUFQJRNFQTFEL-HUTHGQBESA-N 416.241 3.589 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 587768110 SUDZDMOGRSYSMS-MPBGBICISA-N 418.310 3.916 0 1 HHAF CC(=O)[C@@H]1C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822807 MLVITGNWTQAONA-KIPFWBAZSA-N 402.263 3.768 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccccc2-c2ncc[nH]2)N1 962642941 RQIKIDLTTIOHCO-WMLDXEAASA-N 403.360 3.664 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@@](c2cc(F)cc(F)c2)(c2ncco2)N1)C(F)(F)F 962709935 KOEVYEPLKDKQHX-LPHOPBHVSA-N 408.326 3.890 0 1 HHAF CCC(CC)[C@@]1(c2c[nH]c(C(=O)NCc3ccncc3)c2)NCCc2c(C)ccnc21 963069337 MBXOIOAJYSTYKI-VWLOTQADSA-N 417.557 3.869 0 1 HHAF O=C(O)c1cccc2c1CCN[C@]21CCOc2c(Cl)cc(Br)cc21 963131672 NLYFBYGEYAQQJK-GOSISDBHSA-N 408.679 3.973 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCCC[C@@H]1C(C)=O)N(C(=O)c1ccccc1N)CC2 963144339 MJCMZWBAQMFUIB-CLOONOSVSA-N 422.525 3.959 0 1 HHAF COc1ccc(F)cc1[C@H](C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N 1857564567 KWESEOYSTBXZIE-AWEZNQCLSA-N 411.481 3.740 0 1 HHAF Cn1cc(CN2C[C@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)c2ccccc21 2356302535 YAVYURNQPKLRDV-XXBNENTESA-N 401.510 3.957 0 1 HHAF O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 3055504 NIVSMJLLQIGXHI-UHFFFAOYSA-N 405.422 3.603 0 3 HHAF CCOCCCNc1nc(C(F)(F)F)nc2c1nnn2Cc1ccccc1Cl 4968068 MWMWKKLSCQMISK-UHFFFAOYSA-N 414.819 3.780 0 3 HHAF CN(C)CCNC(=O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61925662 RZLVJPCOHXAQIE-JOCHJYFZSA-N 403.482 3.522 0 3 HHAF C=C(NC(=O)/C(C)=C/C=C\CCCCCC(C)C)C(=O)N/C(=C\OC)C(=O)OC 13430836 VCWYTXXFJMLXBV-PBYGZRPHSA-N 406.523 3.502 0 1 HHAF O=C1NCCN1CCN1CCC([C@@H]2CN(c3ccc(F)cc3)c3ccccc32)CC1 13489971 MJIFNEGWZJIOKW-QFIPXVFZSA-N 408.521 3.798 0 1 HHAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc([S@@](C)=O)cc2)cc1 13557941 RACMOCVFSXGHRE-LJAQVGFWSA-N 408.479 3.937 0 1 HHAF OCc1cnc(-c2ccccn2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28567953 CWMOYZMKFWMYKB-UHFFFAOYSA-N 417.309 3.739 0 1 HHAF CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccs2)CCCCC1 64548780 ABTRYYRXKMVKDI-VQTJNVASSA-N 422.541 3.884 0 1 HHAF CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O 66104175 WBGVPZLWIBDIPP-FXAWDEMLSA-N 414.292 3.789 0 1 HHAF CN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 72176006 VFVKUTVWLQUMFR-IIBYNOLFSA-N 400.482 3.728 0 1 HHAF NC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 95558619 AOKFEEKZCZTORV-MRXNPFEDSA-N 422.953 3.749 0 1 HHAF COc1cc(F)ccc1OCCNC[C@@H](O)COc1ccc2c(c1)[nH]c1ccccc12 96939566 FUWWRDWVJKDMRV-QGZVFWFLSA-N 424.472 3.877 0 1 HHAF COc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1 140381016 KAXPLEDCXIAJCF-UHFFFAOYSA-N 418.541 3.576 0 1 HHAF O=C(NCCc1ccc(O)c(O)c1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167447619 YECCOHMJQMSOHR-UHFFFAOYSA-N 417.465 3.618 0 1 HHAF CCOc1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167825393 ZINWEHHODXVSHY-UHFFFAOYSA-N 403.482 3.891 0 1 HHAF C[C@@H]1CCC/C=C\C=C\[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 169291129 XXDIJWSZFWZBRM-KGSAIMAVSA-N 402.531 3.692 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(CCCCc2ccccc2)CC[C@]314 195177701 QUEDELDXIVCSTN-OXCFDMGDSA-N 417.549 3.983 0 1 HHAF CCOC(=O)C[C@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989782 QRWSROXJHPVULZ-INIZCTEOSA-N 419.433 3.752 0 1 HHAF O=C1C[C@@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c2c(Br)cccc2O1 587003777 NZZYGQSGBNLKPN-MRVPVSSYSA-N 413.231 3.543 0 1 HHAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587058553 GFLCKNVPIJYNEB-LBPRGKRZSA-N 403.813 3.752 0 1 HHAF Cc1nc(O)nc(S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370737 AYSQSUMGIXANBT-DYESRHJHSA-N 412.442 3.898 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587372920 BMTXCCLAGFDYSP-HXUWFJFHSA-N 422.264 3.877 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1CCCC(=O)O)[C@@H](C2)C3=O 587444202 SFKRCVCFKPPFFH-HJPURHCSSA-N 412.438 3.608 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O 587476405 OVVAFSKWTBVISR-CVDCTZTESA-N 417.502 3.847 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)CC2=O 587479723 URQNSSYBHKXHOT-IVZQSRNASA-N 419.474 3.533 0 1 HHAF CCOC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587587725 OEDHSUSJODUSQK-AUSIDOKSSA-N 405.406 3.841 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587760413 YIIJMPKFRHPJLR-OVWNDWIMSA-N 424.314 3.588 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587836724 XSBHTGWLSAQHKG-VVVCHXIZSA-N 422.250 3.777 0 1 HHAF CCOc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc2c1 962577971 ZLYJKSBTURXDRL-PSLXWICFSA-N 408.498 3.910 0 1 HHAF COC(=O)CN1C=C[C@@]2(c3ccccc31)c1cccc(F)c1CCN2[C@H]1CCSC1 962698027 CNCODFYJCCYEGA-XDHUDOTRSA-N 424.541 3.940 0 1 HHAF COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2NCCc3c(C)ccnc32)c1 963071336 QTFPUKLZWDDBED-RNWIMVQKSA-N 408.523 3.809 0 1 HHAF COc1cc(Br)cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239639 XWAPVERYTAIDJV-OALUTQOASA-N 413.271 3.694 0 1 HHAF Cc1cn([C@H]2CCCN(C(=O)c3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772640293 NJIGJBDNGXATMV-SFHVURJKSA-N 405.454 3.527 0 1 HHAF O=C(O)COc1ccc(OCc2cn(-c3c(Cl)cccc3Cl)nn2)cc1F 1857560613 ZGQZHFQLQHRXCO-UHFFFAOYSA-N 412.204 3.756 0 1 HHAF CN1CCOc2c1cnn1c(-c3ccc4cccc(NC5CCCCC5)c4n3)nnc21 1857597230 UVGKRGCBYGNVGI-UHFFFAOYSA-N 415.501 3.913 0 1 HHAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccc5cc[nH]c45)c(=O)n1c23 1857610281 MCYBWLNAGWPZGI-GFCCVEGCSA-N 405.429 3.765 0 1 HHAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)[C@@H]1C[C@@H](C(C)=O)[C@]2(C)O 2356411170 JFXHBZJISWEQOJ-VQIPUBAOSA-N 422.562 3.846 0 1 HHAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 4043303 MKJQIVBKGTXYKS-FYYLOGMGSA-N 421.472 3.935 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4054062 UWZVKHFRBSNFTG-SSPYTLHUSA-N 416.477 3.637 0 1 HHAF CC(=O)Nc1ccc(SCCN2CCN(CCc3ccccc3)CCC2=O)cc1 13829700 QGNVGCNBDHFSNE-UHFFFAOYSA-N 411.571 3.514 0 1 HHAF COc1ccc(C2=NN(Cc3ccc(C(=O)O)cc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26507168 PVWGPCPZYAEPPN-MOPGFXCFSA-N 422.481 3.955 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)[C@@H](O)C[C@@]21C 33820752 IGSFPMNAJAGINF-BOYKILLESA-N 408.579 3.593 0 1 HHAF CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]12C 39063841 VVJWDPJDEOTQOZ-AWAHEQQVSA-N 414.498 3.970 0 1 HHAF biogenic,in-vitro COc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1 72112307 YPZLXCVTFSPQSS-UHFFFAOYSA-N 423.557 3.951 0 1 HHAF CCN(C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)C(C)C 142944374 NITIVAZXKWXNAT-LLVKDONJSA-N 402.392 3.743 0 1 HHAF O=C(NC1[C@H]2CN(CCCc3ccccc3)C[C@H]12)[C@@](O)(c1ccccc1)C1CCCC1 147153301 DJBRSVQJAQGQJK-NLJOTIRTSA-N 418.581 3.744 0 1 HHAF O=c1n(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)cc(O)n1CC1CC1 169729173 NEEZCLZZWDTVDJ-UHFFFAOYSA-N 418.541 3.862 0 1 HHAF COc1cccc2c1CCN(C[C@@H](O)COc1cccc(CNC3CCCC3)c1)C2 219776255 FVRSYURPSNFXLF-JOCHJYFZSA-N 410.558 3.525 0 1 HHAF Cc1cc(Br)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1F 587137827 NGYXLHPFNZZDIQ-UHFFFAOYSA-N 412.284 3.690 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3ccc(Br)cc31)O2 587371830 MYTUNYZODZPXNH-LJQANCHMSA-N 416.227 3.561 0 1 HHAF COCOc1cccc([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587436310 NGGXKALTQYHIDS-YKSBVNFPSA-N 403.434 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O 587439922 XQWMNUIDEMDSBG-HBVFZEQNSA-N 417.461 3.810 0 1 HHAF COc1cc2c3c(c1)O[C@](CS(=O)(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587449611 PYBIPZFKAHRSIT-GBXCKJPGSA-N 420.486 3.812 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587709727 NTIAGUBZSYKRKN-VXJOIVPMSA-N 404.205 3.736 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C2CCOCC2)N1 587753842 JYNFSQRIVKFMFW-BUXKBTBVSA-N 408.315 3.526 0 1 HHAF CCOC(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587777418 HMNGBGNTBXZUID-HXPMCKFVSA-N 407.283 3.714 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccccc32)N1 587843813 USOCSEYIUAWQOX-OVWNDWIMSA-N 404.235 3.727 0 1 HHAF CC(C)C[C@H](N)CN=c1nc(-c2ccncc2)[nH]c2c(Br)csc12 653775782 IDQKQFMRPMCUER-LBPRGKRZSA-N 406.353 3.723 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1 962979466 SIQPXEAVUMFOOF-KSSFIOAISA-N 407.779 3.631 0 1 HHAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cncc(F)c2)N1C(=O)c1ccccc1 963415337 LUTZXZNVSQKPFZ-RBBKRZOGSA-N 415.424 3.943 0 1 HHAF CC1(C)[C@H](CNc2ccc(F)cc2OC(F)F)[C@H]1c1ccc(S(N)(=O)=O)cc1 1857573899 JSBWHJBQMHGLNS-RHSMWYFYSA-N 414.449 3.926 0 1 HHAF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356490196 ZODJZVRYUQWYON-NKKOAZTFSA-N 422.606 3.537 0 1 HHAF COC(=O)[C@H](O)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356812976 CBTSGRWRWACHRS-JFGHVKCGSA-N 422.606 3.537 0 1 HHAF Cc1cccc(-c2nc(C[S@](=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1 5057908 WXEMQIDFUAYZIA-GDLZYMKVSA-N 408.523 3.792 0 3 HHAF Cc1ccc(Cn2nnnc2CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 5625981 DOLRSKODGZOLBF-UHFFFAOYSA-N 421.936 3.939 0 3 HHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](OC(=O)[C@H](N)CCCCN)CC[C@H]12 61946604 QCJMDCQDWLPFLZ-ISZJESOCSA-N 420.638 3.758 0 3 HHAF CC(C)(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 95605372 NLPMRGMMJNYDOU-FQEVSTJZSA-N 400.486 3.697 0 3 HHAF CC1=Nc2ccccc2/C1=C/NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 103993150 HQAZVHBGDRMVSA-KNTRCKAVSA-N 418.549 3.916 0 3 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 4078090 MGTPSJHVEXCIRP-GGAORHGYSA-N 421.472 3.935 0 1 HHAF CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C 14974270 MHSSSOPSKCOGJV-UHFFFAOYSA-N 410.478 3.798 0 1 HHAF COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3CCCCC3)cc2)cc1 26154324 NPZDPBHMFYXBRP-HXUWFJFHSA-N 403.500 3.674 0 1 HHAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1F 38346548 RTHSFVJJKPPSPT-CQSZACIVSA-N 406.523 3.915 0 1 HHAF CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(C)o2)n2nccc2N1 40420991 MSEWEHGGUFAFQN-QFIPXVFZSA-N 421.476 3.561 0 1 HHAF Cn1c(=O)oc2cc3c(cc21)[C@H](c1cccc(OC(=O)c2ccccc2)c1)NCC3 45340019 NRPNWXNYIBVJMU-QFIPXVFZSA-N 400.434 3.586 0 1 HHAF Cc1cccc(OCc2cc(=O)n3c(c2-c2cccnc2)SC[C@H]3C(=O)O)c1C 84714729 MFCNUKWJANNIAR-KRWDZBQOSA-N 408.479 3.838 0 1 HHAF CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 95586660 YXOCMNIVIOISGO-LFNHZNGGSA-N 405.542 3.836 0 1 HHAF CCCC[C@H](NC(=O)O[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 101031481 HMVXEHSUUNUEBL-CVYSASLGSA-N 400.519 3.907 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5s4)C[C@H]3C2)c(OC)c1 116825849 FINDUWPLIUUSHQ-HUUCEWRRSA-N 409.511 3.522 0 1 HHAF CN(C)c1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167273620 SZZXJEWAKBSLQF-UHFFFAOYSA-N 402.498 3.558 0 1 HHAF Cn1cc(C(=O)c2cncc(NC(=O)CCc3ccccc3Cl)c2)c2cncnc21 169707749 LEIDKPCJKAGWAC-UHFFFAOYSA-N 419.872 3.819 0 1 HHAF COc1nc(N2CC[C@H](OC)C2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 205310041 AUNQFTYGCPLFAH-NSHDSACASA-N 401.850 3.815 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4COC[C@H]4c4ccccc4)ncc23)ccn1 261126374 KGPUASROVXYWKI-AZUAARDMSA-N 414.469 3.632 0 1 HHAF O=C1c2ccccc2C(=O)N1CCCNC1CCN(Cc2cccc(Cl)c2)CC1 299863292 KUBIZMMWMILEGF-UHFFFAOYSA-N 411.933 3.580 0 1 HHAF Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc4ccc(Cl)cc24)C3=O)cn1 299864611 MQHHEMMMFJUBNV-UHFFFAOYSA-N 418.884 3.805 0 1 HHAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 473148613 GLDHJLHDKQIAMM-QINHECLXSA-N 404.249 3.875 0 1 HHAF C[C@@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172857 NNXCXEHOBLYJGZ-SFHVURJKSA-N 419.206 3.791 0 1 HHAF COC(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600193 MTWJRGBJWYFJRQ-XUZZJYLKSA-N 420.417 3.821 0 1 HHAF O=C(Cc1ccc2c(c1)OCO2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659951 LPNWGGKSKGPDAU-UHFFFAOYSA-N 402.381 3.814 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587793934 FOZAKSVWOAVHAQ-RGIROJJOSA-N 412.299 3.640 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC2OCCO2)N1 587833717 ORXRQWKPWYDINT-MPBGBICISA-N 422.294 3.964 0 1 HHAF COc1cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1-n1cnc(C)c1 962728195 CQXQNEUDMDERPW-PXNSSMCTSA-N 415.415 3.924 0 1 HHAF CCOC(=O)CCc1c(C)c([C@@H]2NCCc3c2c(C(C)C)nn3C)c2ccccn12 962922035 VIROOCMJZVSHII-DEOSSOPVSA-N 408.546 3.835 0 1 HHAF CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962927549 WCJZITWKKNYSQB-YADARESESA-N 415.578 3.787 0 1 HHAF COCCN[C@@H]1CCc2c(sc3ncn(Cc4ccc5ccccc5c4)c(=O)c23)C1 1772628796 SILYOVAHLPFJQF-LJQANCHMSA-N 419.550 3.753 0 1 HHAF COc1cccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1OC 1857545311 NRRKBVGECLBIFF-DEOSSOPVSA-N 401.466 3.611 0 1 HHAF CO[C@H]1OC(=O)C=C1[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356348918 LBQAJSQYOAWBOD-NZPLOVTLSA-N 404.547 3.577 0 1 HHAF COc1c(C=C[C@](C)(CO)OC)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 2356856843 SDYUGOSPMGYUOF-JOCHJYFZSA-N 400.427 3.583 0 1 HHAF Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(CN3CCC(C)CC3)cc2)n1 4907606 MGISBXPQNHUHKX-UHFFFAOYSA-N 418.545 3.828 0 3 HHAF COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2C2CCCC2)c1 95605731 PCGIWSSBQPYFGY-OAQYLSRUSA-N 419.485 3.551 0 3 HHAF CN(CCOCCNC(=S)NC(=O)c1ccc2ccccc2c1)Cc1ccccc1 1535272 COHWMQXSPQSORZ-UHFFFAOYSA-N 421.566 3.593 0 1 HHAF O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)c(Cl)ccc21 3961862 IAOGIUYLCUOQQA-UHFFFAOYSA-N 410.326 3.595 0 1 HHAF CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 4177305 VUIPZNXKQCQODT-ADAARDCZSA-N 422.518 3.635 0 1 HHAF COc1ccc(-c2noc(NC[C@@H]3CCN(Cc4ccc(C)cc4)C3)n2)cc1OC 6935961 DDVZXLUQERBBAV-SFHVURJKSA-N 408.502 3.996 0 1 HHAF COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 39142272 USYOOQFISINJLZ-IBAOYMAMSA-N 406.519 3.959 0 1 HHAF CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc(Cl)cc1 58591512 RNABKDJNIGKLPH-UHFFFAOYSA-N 407.967 3.696 0 1 HHAF CCCCn1c(CNc2cccc(C(=O)O)c2)nc2cc(OC)c(OC)cc2c1=O 96907517 RRTJJPHBJZSHGF-UHFFFAOYSA-N 411.458 3.524 0 1 HHAF COC(=O)[C@@H]1[C@H](c2ccc(Br)c(Br)c2)C[C@H]2CC[C@H]1N2C 101037146 UWYWQPVLTBLACL-BAESOJJISA-N 417.141 3.951 0 1 HHAF C/C1=C/C(=O)O[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 101725486 DDVBPZROPPMBLW-BDOXQPRWSA-N 421.559 3.860 0 1 HHAF Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1 142629490 GLGCNVJDHYAGKG-UHFFFAOYSA-N 410.449 3.705 0 1 HHAF COc1c([C@H](C)Nc2ncnc(N)c2C#N)cc(Cl)c(F)c1-c1cncc(C#N)c1 146943668 RYVODQGTYUBTFL-JTQLQIEISA-N 423.839 3.838 0 1 HHAF CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 169688627 KDZMTMYRXNYKBE-IAGOWNOFSA-N 410.451 3.599 0 1 HHAF CCOc1ccc(Nc2nc(Nc3cccc(OCC(=O)NC)c3)ncc2F)cc1 299865102 NEIAPLFCWAWFFT-UHFFFAOYSA-N 411.437 3.626 0 1 HHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 586951624 RTGTZHTYQWOSOX-UHFFFAOYSA-N 414.512 3.945 0 1 HHAF COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1OC 587118056 JHMKEFNZCAJYGT-UHFFFAOYSA-N 419.201 3.801 0 1 HHAF COC(=O)c1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2c(F)c1Nc1ccccc1 587128715 NXKHGLKUQKYLEA-UHFFFAOYSA-N 416.363 3.965 0 1 HHAF O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 587352710 NMQDICCAUIOBBZ-PEWHIPHLSA-N 402.421 3.586 0 1 HHAF C[C@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567776 CCIIPSRRRNUJFI-XUZZJYLKSA-N 421.424 3.958 0 1 HHAF COCCN(C)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587739167 GDJKONDSFRZMKP-HXPMCKFVSA-N 408.315 3.689 0 1 HHAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C1CC1 587756824 FOFSIQNHEXLYRM-GIGQVBGESA-N 407.283 3.668 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 587825739 FBJOODJWARIYSA-YBTHPKLGSA-N 404.279 3.939 0 1 HHAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21NCCc2cc3cccc(OC)c3nc21 963028063 BVOSESADGHHMPU-XMMPIXPASA-N 419.481 3.522 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCCC[C@@H]1C(C)=O)N(C(=O)c1ccccc1N)CC2 963144352 MJCMZWBAQMFUIB-KBMIEXCESA-N 422.525 3.959 0 1 HHAF Cc1ccc2nc(NC(=O)COCc3ccccc3)c(C(=O)NC3CCCCC3)n2c1 1857609012 VKRZMBALMVXJOE-UHFFFAOYSA-N 420.513 3.861 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2ccncc2)CC[C@@]1(C)O 2356288931 MVFWAGRBDOANMU-TUNNFDKTSA-N 401.576 3.762 0 1 HHAF CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 776791 WQCQRBRMTHGJHB-FPOVZHCZSA-N 414.546 3.942 0 1 HHAF O=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 3042058 HEVCATPNSGCRKJ-UHFFFAOYSA-N 407.470 3.790 0 1 HHAF N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(F)c3)cc3c(O)cccc32)c1 3831841 MTNBCPMEMDPUIE-UHFFFAOYSA-N 416.456 3.748 0 1 HHAF CC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)N4CCC5(CC4)OCCO5)c(C)c23)O1 6808047 GJASHGCYWNISJM-JOCHJYFZSA-N 413.470 3.854 0 1 HHAF COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 13493389 NWKORADIVJOWGD-OVCLIPMQSA-N 423.494 3.730 0 1 HHAF O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@H](O)CN1CCOCC1 13529157 ZXPWSOLCSBLNQC-JOCHJYFZSA-N 419.521 3.727 0 1 HHAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@]3(O)CCCN3C2)cc1OC 14696016 IENDXFUDXJNFEN-XMMPIXPASA-N 411.498 3.820 0 1 HHAF biogenic CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@]3(O)[C@@H](O[N+](=O)[O-])C[C@]12C 26392529 IHPDDHJYHZCIEN-USUWBSJTSA-N 403.475 3.785 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=C[C@H]4CCCC[C@@H]43)CC1)[C@H](O)C2 27305840 YOOZACONZOWRFD-DUXQTRJFSA-N 407.620 3.962 0 1 HHAF COc1cccc(C[S@](=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)c1 29123325 ZNQDHGWUUZGWDQ-MUUNZHRXSA-N 420.512 3.547 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1C[C@@H](O)C2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820908 RRRJFLXVNRAKLH-ZWUUCCFBSA-N 406.563 3.513 0 1 HHAF COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)n4)c3n2)cc(OC)c1OC 36348667 VDZGQQGOQLBMJT-UHFFFAOYSA-N 412.837 3.633 0 1 HHAF CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2[C@@H](OC(C)=O)C=C3C(=O)OC[C@H]3[C@]12C 38968353 LWZWBYRGDGPPBO-IXGPGGTISA-N 418.530 3.822 0 1 HHAF N=C(N)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(C(=N)N)cc2)cc1 49034819 SIKIGCZSCQELMA-UHFFFAOYSA-N 422.533 3.563 0 1 HHAF CN(C)CCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21 64559827 FGUQSNSLDRGYKE-UHFFFAOYSA-N 402.498 3.718 0 1 HHAF COC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82074090 YRIOUMJQVCQXAJ-UHFFFAOYSA-N 410.270 3.624 0 1 HHAF O=C(OCCc1ccccn1)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085604 FUEBJSOUNMLVMT-IBGZPJMESA-N 422.510 3.672 0 1 HHAF COCCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccc(OC)c(OC)c2)s1 95562589 SVDBECKFWQKVRP-UHFFFAOYSA-N 417.462 3.655 0 1 HHAF O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1)c1ccncc1 95601093 PUBMBYKRYFVTHB-UHFFFAOYSA-N 414.425 3.517 0 1 HHAF COc1ccc2c(c1)CCc1c(-c3ccc(O[C@@H](C)CN(C)C)cc3)nc(N)nc1-2 96935148 MMVNARZZQWUGQI-HNNXBMFYSA-N 404.514 3.829 0 1 HHAF CN(C)c1ccc(S(=O)(=O)N[C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@@H]3CC[C@@H]2C3)cc1 100802389 XLWIMXMOILEVPT-VFCLJYSASA-N 420.575 3.647 0 1 HHAF COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)[C@@]3(C)I)ccc1O 169364518 KMCWFSRJAGUCQK-HWHUXHBOSA-N 416.255 3.940 0 1 HHAF CNc1nc(Nc2ccc(-n3nc(C)cc3COC)cc2OC)ncc1C(F)(F)F 169704367 QVAYMZPCDRJYKC-UHFFFAOYSA-N 422.411 3.930 0 1 HHAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F 224743660 JVNJYQRQOMQQCO-UHFFFAOYSA-N 418.469 3.748 0 1 HHAF CCCCNc1ncc(-c2ccc(CNC3CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 261155790 PWOIRDUWFWWFMT-WGSAOQKQSA-N 410.566 3.718 0 1 HHAF O=C(O)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586960327 OOZGOKMSMVZELH-XMMPIXPASA-N 407.289 3.764 0 1 HHAF Cc1c(-c2nc3nccc(Br)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029368 NDQNBXZQBREQQQ-UHFFFAOYSA-N 402.277 3.870 0 1 HHAF Cc1nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)n2n1 587350357 XBEMTYHJDYKYGD-NFBKMPQASA-N 418.428 3.860 0 1 HHAF CCOC(=O)[C@H](CC)[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351764 UZDRYIVLNNXGTQ-GREBRCKQSA-N 416.445 3.865 0 1 HHAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581024 UPRRUPSFZAOYRZ-ZJSXRUAMSA-N 417.417 3.990 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593426 DCYQQPJJGBOUBJ-WZONZLPQSA-N 412.438 3.661 0 1 HHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1C(=O)c2ccccc2C1=O 587623520 UTCRVWNBNXRKMQ-UHFFFAOYSA-N 409.243 3.911 0 1 HHAF Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 587653152 QWPJETLAUGXDCP-UHFFFAOYSA-N 419.828 3.589 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 587760096 XAHHEMWCLCAOOR-PRWKNARSSA-N 416.294 3.652 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587760424 YRYOJDDERIXUHB-NADNIZCFSA-N 421.358 3.792 0 1 HHAF CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587788856 ARBARLHZIISYSJ-RRUGBERISA-N 402.304 3.553 0 1 HHAF CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822868 MZVCPLKZBTVWMP-BECFVWPVSA-N 402.263 3.768 0 1 HHAF CCOC(=O)c1cc(OCC)n(NCc2ccccc2Br)c1OCC 587942113 ZNCFMYKDLFVEOK-UHFFFAOYSA-N 411.296 3.968 0 1 HHAF COc1ccc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1NC(C)=O 962762584 JPAIFGDODUSACX-FXAWDEMLSA-N 406.404 3.563 0 1 HHAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@H]3c3cncn3C)nc(Cl)nc21 963927872 HFIAJWNUWQTIMU-GOSISDBHSA-N 423.908 3.652 0 1 HHAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(C(F)F)c12 1772593280 BCOGUDBHCQRGOS-INIZCTEOSA-N 419.432 3.928 0 1 HHAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(F)c(F)c1 1772633158 GEARHVGBHFRSBG-JRGCBEDISA-N 404.432 3.599 0 1 HHAF CO[C@@H]1OC(=O)C=C1CC[C@]1(O)[C@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C 2356559336 GUYCSTKDTXJMPS-JOHIUEMLSA-N 408.535 3.758 0 1 HHAF OCC(CO)OCn1c(SCc2ccccc2)nc2cc(Cl)c(Cl)cc21 5934257 FJWDVYXHFDDZPT-UHFFFAOYSA-N 413.326 3.963 0 1 HHAF CCN(CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c(NCCO)nc(C)nc21 7991807 XXFUSEOGGGHVBF-KRWDZBQOSA-N 410.566 3.889 0 1 HHAF O=C(NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)c1cnsn1 11970821 CXCHJDZJURKWJE-INIZCTEOSA-N 406.442 3.626 0 1 HHAF CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21 40918747 YSMNKAMHMGKRDL-UHFFFAOYSA-N 422.963 3.741 0 1 HHAF COc1ccc([C@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(S)=N2)cc1OC 58523111 VVTMFGCHLOATIO-CQSZACIVSA-N 416.499 3.701 0 1 HHAF CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OCC(N)=O 68208102 LFVMBZLELINMSN-NMWGTECJSA-N 423.966 3.906 0 1 HHAF Cc1noc(N2CCN([C@H](c3cccnc3)c3ccc(C(F)(F)F)cc3F)CC2)n1 72101521 IHSULLIOIVLTAX-GOSISDBHSA-N 421.398 3.843 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)s1 82175722 GBXXUYCTDCAUNN-ZDUSSCGKSA-N 411.506 3.670 0 1 HHAF O=C(NCC1CC1)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 82215003 WLNNQGHPAFDVLE-UHFFFAOYSA-N 420.444 3.763 0 1 HHAF CC(C)(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 84687179 AYWOBRMICRHNEJ-UHFFFAOYSA-N 407.495 3.953 0 1 HHAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cc(F)ccc1F 96931541 WGNNYERKCRKYSA-NRFANRHFSA-N 420.419 3.821 0 1 HHAF COC(=O)c1ccc([C@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)cc1 103532503 UXKRLCAQQNZHMG-UQNFDQQLSA-N 404.426 3.747 0 1 HHAF COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3CP(=O)(O)O)cc2)cc1 113577812 NFXLTDWCJNVJJT-UHFFFAOYSA-N 418.407 3.873 0 1 HHAF CCc1c(S(=O)(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12 203661472 UNTZMDWGKLHYQA-UHFFFAOYSA-N 405.951 3.971 0 1 HHAF COc1cc(F)ccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220212170 IVDUSXLIMOPNIQ-UHFFFAOYSA-N 421.475 3.622 0 1 HHAF C[C@@H]1[C@H](O)O[C@@]2(C)[C@@H](C)C(=O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 238738938 SGAGBYUEVHJQBY-OTQMHGQZSA-N 400.471 3.537 0 1 HHAF COc1ccc2c(c1)/C(=C/c1cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]1)C(=O)N2 299856822 CFOBFOOMABACFX-SXGWCWSVSA-N 407.426 3.604 0 1 HHAF C[C@H]([C@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 299879095 KFMMSMOZISSCAW-IMEMRISESA-N 413.558 3.567 0 1 HHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)c(F)c2[nH]1)C(C)C 586932179 BVXUFRRTVOSDEH-ZDUSSCGKSA-N 406.321 3.881 0 1 HHAF O=C1COc2cc3[nH]c(C[S@](=O)C(c4ccccc4)c4ccccc4)nc3cc2N1 586961570 WCXOLNQSESGPGK-PMERELPUSA-N 417.490 3.932 0 1 HHAF O=C(O)c1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040562 HZMCIEPWSJZIDL-LSDHHAIUSA-N 418.316 3.970 0 1 HHAF CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434963 ANBPACOZSLQXCX-KOSHJBKYSA-N 403.434 3.535 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)[C@@H](C2)C3=O 587453237 XROZJZBBLXLUFV-CYFREDJKSA-N 402.402 3.790 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)N(C[C@@H]3CCCCO3)CC1)CC2=O 587476046 SMVNGGYHYGNJIF-QMHKHESXSA-N 401.503 3.630 0 1 HHAF CCOC(=O)[C@]1(c2c(C)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587515256 MPGLNYLOISFERI-XMMPIXPASA-N 404.466 3.945 0 1 HHAF Cn1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587578600 ATUPSCBOCLCXNL-URXFXBBRSA-N 414.417 3.737 0 1 HHAF CCn1nccc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587759411 KUUYJXGEPBZVFE-QANGFKFCSA-N 407.331 3.658 0 1 HHAF O=C(c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12)C(F)(F)F 653790121 HWZHRYCKINBOJL-UHFFFAOYSA-N 414.387 3.836 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c(Br)ccnc2F)N1 962968719 DNUXMUJGSVGFJT-RNCFNFMXSA-N 421.600 3.603 0 1 HHAF COc1cc2c(cc1OC)[C@H](C[C@@H]1CCCOC1)N(C(=O)c1ccccc1N)CC2 963134779 CUAIYLVYRFWUCB-KKSFZXQISA-N 410.514 3.842 0 1 HHAF O=C(Nc1ccc(CNC2CC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12 1772627416 NMWURSLYBLOJKP-UHFFFAOYSA-N 405.487 3.662 0 1 HHAF CCOC(=O)C[C@@]1(C)Oc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C)cc1 95566766 STJFKLMHAWQWJB-LJQANCHMSA-N 409.891 3.906 0 3 HHAF CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4C)c(C)c23)c1 3819152 SHPSZWSQPAVFFO-UHFFFAOYSA-N 413.481 3.989 0 1 HHAF CC[C@@H](C)NC(=O)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F 4399832 LMIJBROYIJMKEI-CKUKBARFSA-N 410.396 3.800 0 1 HHAF C[C@H]1CCCN(C(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)ccc2Cl)C1 4660009 WUJXSZZAPFRHRY-YEAPKDELSA-N 400.906 3.748 0 1 HHAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC(C)(C)O2 5070786 ATOFNQUDVDAMHB-GHTZIAJQSA-N 412.530 3.588 0 1 HHAF O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 25940287 GXJCHNMTEZVNMR-JBLDHEPKSA-N 418.803 3.699 0 1 HHAF COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1 28963481 IJZHLAORTDJHEU-UHFFFAOYSA-N 420.492 3.717 0 1 HHAF Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(NCc3ccccn3)n2)c1 71316697 LLBFTBBDYSBXLA-UHFFFAOYSA-N 410.441 3.667 0 1 HHAF CCN(CC)C(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72184478 HTXJHSGDEVQZBO-FQEVSTJZSA-N 401.942 3.735 0 1 HHAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl 95555048 QULLOTSYPAOTIW-HNNXBMFYSA-N 407.923 3.836 0 1 HHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 104070163 CXLQDEQXURULBN-MXTRNAPSSA-N 419.474 3.914 0 1 HHAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)O)c2c1C 118736765 HRPHSWQZXLOXIW-SECBINFHSA-N 405.407 3.521 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 143745431 IVKHDFPMJYWBEM-LJQANCHMSA-N 402.498 3.957 0 1 HHAF CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12 147345398 UVTPBRBQMUDEBY-UHFFFAOYSA-N 407.543 3.741 0 1 HHAF COc1ccc2ccc(=O)oc2c1C1=NN(C(N)=O)[C@@H](c2ccc(SC)cc2)C1 299864544 MKRUUBYBTIUWQP-MRXNPFEDSA-N 409.467 3.753 0 1 HHAF COc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 586946909 VJUMNBXRLIYYNJ-UHFFFAOYSA-N 405.526 3.840 0 1 HHAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587027535 RPKCDNHRDDSVHW-XIRDDKMYSA-N 424.526 3.881 0 1 HHAF Cc1csc([C@](O)(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C(F)(F)F)n1 587094144 LAKDYGJRZIVULM-CYBMUJFWSA-N 407.320 3.642 0 1 HHAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 587231818 VKHFHQHTNPEENP-UHFFFAOYSA-N 408.849 3.847 0 1 HHAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587256684 MVGBTENMVHIRLB-SNVBAGLBSA-N 422.245 3.946 0 1 HHAF COC(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337253 LXSGBZINWQXBBX-JTHBVZDNSA-N 407.397 3.744 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O 587428873 MLYWSVGICFUDQQ-ZJBJCVSYSA-N 424.497 3.590 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(O)c(C)c(O)c41)[C@@H](C2)C3=O 587448213 ARDNNWXZNALNPB-SSOJOUAXSA-N 414.413 3.650 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C 587489003 AEIBXLPXMSNFCY-PZVFOTJXSA-N 408.516 3.763 0 1 HHAF COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587563798 JGRGNXAOZSFBDX-UHFFFAOYSA-N 400.378 3.752 0 1 HHAF O=C([C@@H]1Cc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657120 VYOYPOWVZZVDSA-FQEVSTJZSA-N 404.372 3.986 0 1 HHAF COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721664 PYDILJSJZVAQMN-XYZCENFISA-N 406.242 3.926 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nn2)N1 587756369 DGAMNDUMQBJTJW-HXPMCKFVSA-N 401.283 3.852 0 1 HHAF COc1cc(C)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799868 ZKWUUENBRSATGD-GIGQVBGESA-N 405.267 3.635 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)s2)N1 587844871 CJRGKVPWTAYISC-BBATYDOGSA-N 410.356 3.683 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963706 QTULCUDFUIGLDD-KBPBESRZSA-N 413.499 3.530 0 1 HHAF COc1ccccc1C(=O)C[C@@]1(C)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642407 ZRJAWBFHFWWSHP-OXQOHEQNSA-N 423.387 3.681 0 1 HHAF O=S(=O)(c1ccccc1)N1CC2(C1)CC1(C2)c2ccc(C(F)(F)F)c3c2CCN31 962714724 VNZCQHSPGRYGSF-UHFFFAOYSA-N 420.456 3.762 0 1 HHAF NCC[C@]1(c2ccccc2N)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961644 VVANLEMYKKVBQC-OAQYLSRUSA-N 405.464 3.531 0 1 HHAF OC[C@H]1CCCCN1Cc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)ccc23)o1 1857545483 CYZZZLBTKMEABD-MRXNPFEDSA-N 404.470 3.937 0 1 HHAF Cc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(S(C)(=O)=O)cc4)n3c2)c1 1857606541 OIABUJFRNFBGGX-UHFFFAOYSA-N 405.479 3.949 0 1 HHAF CC(=O)[C@@H]1C[C@@]23C(=O)[C@](C)(CC=C(C)C)C(=O)[C@@](C(=O)C(C)C)(C[C@H]2C1(C)C)C3=O 2356692493 XVSSGVODPYXGOA-LQECKZLJSA-N 414.542 3.923 0 1 HHAF O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCCc1ccco1 6751558 IKVAZSQQJONFGD-UHFFFAOYSA-N 406.511 3.848 0 1 HHAF Cc1ccc(NC(=O)c2cc3c(=O)n(Cc4cccnc4)ccc3nc2C)cc1F 6915338 IDHBTOJZPQODOO-UHFFFAOYSA-N 402.429 3.848 0 1 HHAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCCCC4)cccc2-3)cc1 13492147 LKPJCXVMXCWQKG-UHFFFAOYSA-N 417.469 3.819 0 1 HHAF CN(CCCCN1CCN(c2nsc3ccccc23)CC1)C(=O)c1ccccc1 13747155 UNFZXGFODICBBR-UHFFFAOYSA-N 408.571 3.971 0 1 HHAF COc1ccc(Br)c(O)c1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 13820598 MBIMLBIDRSPVIF-HNNXBMFYSA-N 419.319 3.558 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@H]1CO[C@@H]2[C@@H]1C 15274116 XXKVJYBTOZDMRE-POEZALAKSA-N 416.470 3.982 0 1 HHAF Cc1oc(-c2ccc(O)cc2)nc1CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26577178 DCHZPXVXSQBPOI-LJQANCHMSA-N 424.478 3.871 0 1 HHAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCc4ccccc4)cc3)c2n1 28571422 QMAZOAORAINGAW-UHFFFAOYSA-N 418.501 3.541 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2ccccc21 66123534 ZLEYVJQFPLOJRX-NLFFAJNJSA-N 421.493 3.996 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 82198584 DDNRBBWLNDEZIK-JUDFQRPZSA-N 400.563 3.876 0 1 HHAF Cc1cc(NS(=O)(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2 84707730 INVAEJCVXVGXIA-UHFFFAOYSA-N 419.499 3.931 0 1 HHAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cccc(F)c3)C23CN(C(=O)CC)C3)cc1 95796412 ULQCHWLMFLOEPA-KOSPEVKZSA-N 408.517 3.810 0 1 HHAF O=C(c1cccc(F)c1)c1cc(F)ccc1/C=C/OCCN1CCC[C@@H](C(=O)O)C1 96923618 OQOWWWFOFMMLDT-VEGGFIAOSA-N 415.436 3.980 0 1 HHAF O=C(O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 103229302 OCQOJNSDCOVTPF-BIELFDCTSA-N 413.473 3.801 0 1 HHAF COc1ccc(-n2cc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)cc1 142033556 LSXSGJKNEVEKER-DNVCBOLYSA-N 422.489 3.825 0 1 HHAF COc1nc(C)ccc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1 143100529 WVFUVSVTBHWSKN-UHFFFAOYSA-N 400.486 3.655 0 1 HHAF CC(C)(C)NC(=O)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 213417216 SLWFEUITEJIEHH-MJGOQNOKSA-N 404.551 3.546 0 1 HHAF CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@H]32 254092342 GZTRBGOKFUFZBR-VAXBKJOSSA-N 416.514 3.657 0 1 HHAF CN(C)C(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998998 ROLHFCGZEHUXMX-GQCTYLIASA-N 414.259 3.926 0 1 HHAF O=S(=O)(Nc1cc(-c2nc3cnncc3[nH]2)ccc1Cl)c1ccc(F)cc1 587172060 YAXVOBNCKVDSKT-UHFFFAOYSA-N 403.826 3.613 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CO)OC=C1OCc1ccccc1Cl)O2 587378615 OREDIPBRWOUTMO-QFIPXVFZSA-N 413.857 3.899 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587448086 HPZIUGMPIALWAE-JTSKRJEESA-N 409.463 3.531 0 1 HHAF COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559456 XNOAIBQIZILFTR-XMSQKQJNSA-N 412.344 3.701 0 1 HHAF COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587591687 DHPPEMXUKSDKPD-REWPJTCUSA-N 406.390 3.647 0 1 HHAF CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598520 BKDRVKYUSSJCSE-GBXCKJPGSA-N 420.417 3.821 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCN(C)CC2)N1 587767185 QUDUDMLVNHTNQY-SZNDQCEHSA-N 418.354 3.964 0 1 HHAF C=C1NC(C)=Cn2nc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc21 587796086 PAGXJIMFXUHYJP-GIGQVBGESA-N 403.299 3.975 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797566 MGYMXWLVAJSNLA-JEOXALJRSA-N 414.315 3.886 0 1 HHAF COc1ccc(C[C@@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC 587927818 XUYBTXZYZKVUOK-CQSZACIVSA-N 419.485 3.986 0 1 HHAF Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 653861830 RNBRCGGCKZQCGR-ZDUSSCGKSA-N 406.877 3.893 0 1 HHAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccco4)nc3)c2)c1 653878859 YSGGMROQSUCDHW-UHFFFAOYSA-N 414.421 3.667 0 1 HHAF CC(=O)c1ccc2c(c1)[C@@H](c1ccc(C)cn1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636364 WQUCMFIJFQRGBK-PMACEKPBSA-N 410.470 3.928 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@](Cc1nc3ccccc3[nH]1)(c1ccccc1)NCC2 962926507 PJMZVBLMWPLCRZ-AREMUKBSSA-N 410.521 3.897 0 1 HHAF COc1cccc2cc3c(nc12)[C@@](C)(CC(=O)NCc1ccccc1Cl)NCC3 963044029 BOXRTZFPWJRVCR-HSZRJFAPSA-N 409.917 3.964 0 1 HHAF O=C1CC[C@]2(N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc2N1 963190896 YCOGFFIYEACPRH-LPHOPBHVSA-N 424.806 3.934 0 1 HHAF C[S@@](=O)c1cccc(-c2ccc3ncc(Nc4cccc([S@](C)=O)c4)n3n2)c1 1857542617 XWPWVNMKBKNICN-IZLXSDGUSA-N 410.524 3.615 0 1 HHAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ncnc3n[nH]cc23)cc1 1857569729 AOBMGRLGUPQHMF-UHFFFAOYSA-N 406.450 3.820 0 1 HHAF COc1ccc(N=c2nc(C[C@H](C)NC3CC(C)(C)NC(C)(C)C3)[nH]s2)cc1 1857655252 UTKVSVKIZLXABN-AWEZNQCLSA-N 403.596 3.542 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(C)=O)=C[C@H](O)[C@H]1C(C)(C)CCC[C@@]12C 2356424246 RSUWYVAJUFBIDE-JYFICSRFSA-N 408.535 3.554 0 1 HHAF CC(C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C[C@H](C)CCCCCCO 2356431034 ZQYJKIOOBBBACO-DYESRHJHSA-N 403.519 3.586 0 1 HHAF CCc1nnc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)s1 929677 DWAPJEYUYKZUPW-UHFFFAOYSA-N 412.544 3.952 0 3 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2cc(F)cc(F)c2)nn1 203463001 ATSDRJBWZQXZFO-UHFFFAOYSA-N 411.412 3.555 0 3 HHAF CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)OC1(C)C 1607880 BNSRVXDDPIAAQG-NHCUHLMSSA-N 408.406 3.794 0 1 HHAF biogenic CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)cc1 4056091 MUTRDVINOMMGIJ-CTNGQTDRSA-N 414.889 3.689 0 1 HHAF CCOc1cc2c(cc1OCC)[C@@H](CC(=O)O)N(C(=O)NCc1ccccc1)CC2 20515463 PMKWNCMSFVOBOS-LJQANCHMSA-N 412.486 3.768 0 1 HHAF C[C@H]1Cc2cccc3c2N1C(=O)[C@@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 22927114 DGUCYPDNCXXCGB-JTSKRJEESA-N 409.961 3.750 0 1 HHAF CCCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 26951214 WFDKLRYVPBVLDQ-AQNXPRMDSA-N 411.546 3.856 0 1 HHAF CCN(CC)Cc1oc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)nc1C(N)=O 28950208 IMZVELVAXOWFIW-UHFFFAOYSA-N 422.407 3.858 0 1 HHAF O=C(O)CCCCCc1cnccc1CCCNS(=O)(=O)c1ccc(Cl)cc1 29392787 BDLXKRKZQQAXDM-UHFFFAOYSA-N 424.950 3.834 0 1 HHAF CC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S@@](C)=O 43065351 GDZNYEZGJAFIKA-DEOSSOPVSA-N 400.209 3.720 0 1 HHAF in-vitro CC[C@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(C)c2)C1=O 43741844 DFFCUBDTTVOEMO-VZDNWZCBSA-N 401.510 3.960 0 1 HHAF biogenic COC(=O)[C@@H](NC(=O)c1cc(COc2ccc3ncsc3c2)on1)c1ccccc1 45258995 HHJJFJAKMCTJBJ-IBGZPJMESA-N 423.450 3.507 0 1 HHAF O=C1N=CCc2cc(NC(=O)[C@@H]3CNC[C@H]3c3ccc(Cl)cc3)c(Cl)cc21 58638587 WWMMSIAGRVSGLG-JKSUJKDBSA-N 402.281 3.702 0 1 HHAF in-vitro COc1ccc2ccn(S(=O)(=O)c3ccc(C)c(NC4CCN(C)CC4)c3)c2c1 95566046 WGDFNJIJIHPTOD-UHFFFAOYSA-N 413.543 3.701 0 1 HHAF O=C(NCCO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95596499 WMVRVNUPSRSIBL-UHFFFAOYSA-N 422.431 3.760 0 1 HHAF O=C(NCC[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166375334 WYMOJMMKMIBISK-INIZCTEOSA-N 411.477 3.920 0 1 HHAF NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(N)cc1 216235001 RUMYDPRRAHRPJA-UHFFFAOYSA-N 403.467 3.973 0 1 HHAF Nc1nccc(-c2cn(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccccc23)n1 299852395 REBXRVRCHYQFTP-UHFFFAOYSA-N 418.400 3.936 0 1 HHAF CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 473150918 NJCFDWCZYXNKMR-NLPWIYRPSA-N 416.569 3.789 0 1 HHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586918356 XHUMZIRSXAFNAK-YADARESESA-N 405.498 3.612 0 1 HHAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586932048 UHFCIDKPMQVVRM-UHFFFAOYSA-N 417.384 3.550 0 1 HHAF Cc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1F 586941255 IJTBSLDCQOMZPJ-UHFFFAOYSA-N 412.490 3.708 0 1 HHAF CC[C@@H](c1nc2c(Cl)ccnc2[nH]1)n1cc(I)c(C)n1 587185262 JGFOQPQBNMASRY-JTQLQIEISA-N 401.639 3.720 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239148 ILGNJEMUUWVYEQ-IATAILRESA-N 415.490 3.816 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587396906 WVQLIZSGQTXQHQ-QSAZIKIQSA-N 416.518 3.717 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 587399705 JKGZLLOKJAZPJS-HSZRJFAPSA-N 408.454 3.532 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Br)c(Cl)cc41)[C@@H](C2)C3=O 587416432 AWNOCSCILMKKRX-XTZNXHDOSA-N 420.646 3.706 0 1 HHAF CCCNC(=S)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587669616 FNGBIVBWWUMCNH-UHFFFAOYSA-N 411.527 3.994 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCCC3)nc2)N1 587764340 DMBISIJALURCRD-SGTLLEGYSA-N 405.315 3.992 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)n2ncnc2N1C 587799440 ZDZXYBHTLDXION-DKHZXNSXSA-N 420.330 3.914 0 1 HHAF CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808757 OOOUZPSJEKQIOD-FKIZINRSSA-N 422.294 3.938 0 1 HHAF C=CN1CC[C@H]([C@]2(CSC)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587843600 IZZLIQOTXZQQFV-YNKQFZHNSA-N 413.356 3.673 0 1 HHAF CCOC(=O)C[C@@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587853500 NNIAHQNQBSLOTM-DYZYQPBXSA-N 413.312 3.776 0 1 HHAF O=C(NCC1CCCCC1)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 653810988 VNJOPQNLNWTLSM-STZFKDTASA-N 419.481 3.800 0 1 HHAF C[C@@]1(CC(=O)c2cc(F)ccc2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962966501 MLBHEMMRXLOZSI-DJJJIMSYSA-N 413.779 3.550 0 1 HHAF CCOC(=O)c1nocc1[C@]1(c2ccccn2)c2c(F)cccc2C[C@H]2CCCN21 963098009 OXUPIFKVQNEKPL-MWTRTKDXSA-N 407.445 3.698 0 1 HHAF COC(=O)C[C@]1(C2CCCC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174154 FQIQSWMBIPHTKD-MAUKXSAKSA-N 419.827 3.906 0 1 HHAF CCc1ccc([C@@]2(c3ncccc3C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963468676 ICVDRMVJDNFMGJ-NBGIEHNGSA-N 402.494 3.857 0 1 HHAF FC(F)(F)Oc1ccc(CCNc2cc(-c3ccccn3)nc3ncnn23)cc1 1772633824 FOYZUUYWIOVTFO-UHFFFAOYSA-N 400.364 3.740 0 1 HHAF O=C1Nc2cc(Cl)c(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1ccc[nH]1 1772651845 OHFLZUVHILZXKS-SIBGDRKGSA-N 407.857 3.624 0 1 HHAF CC1=C[C@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 2356304624 VPNQOHLYUFTHNM-BDTNDASRSA-N 414.594 3.992 0 1 HHAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1c[nH]c2ccccc12 2469327 CKRQPQXSVGLEIO-PKTZIBPZSA-N 410.477 3.790 0 1 HHAF CC[C@@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 4759978 MWLHLHGTQWVLGE-ZUSMLRIVSA-N 402.516 3.591 0 1 HHAF Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NC1CCCCC1)C(=O)CS2 6751415 ILUUDDHXCGTUNM-UHFFFAOYSA-N 412.559 3.849 0 1 HHAF CCCCC[C@@H](Cc1ccccc1)NC[C@@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 26826560 TTXUYTXVESVGKP-SIKLNZKXSA-N 420.575 3.578 0 1 HHAF CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1C 40977238 PEZQORQECWUYJA-UHFFFAOYSA-N 400.191 3.774 0 1 HHAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC1)O2 49072052 SFQNJYPSTQRBCJ-UHFFFAOYSA-N 419.481 3.829 0 1 HHAF COc1ccc(OC)c([C@@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(S)=N2)c1 58523003 UJPMQLWDICTRKH-INIZCTEOSA-N 416.499 3.701 0 1 HHAF CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O 101595683 NDIUYMHNCUTVGE-UHFFFAOYSA-N 414.469 3.832 0 1 HHAF CCCn1cc(C2=NS(=O)(=O)c3cc(Br)cnc3N2)c2ccccc21 102973661 LZAJRVHJSCXKRB-UHFFFAOYSA-N 419.304 3.770 0 1 HHAF O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)c2ccccc12 103256289 ZHCULRXYKFYAPE-UHFFFAOYSA-N 411.417 3.740 0 1 HHAF CC(=O)Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2 103289984 NZRGLJXUWHSZJT-JXHRLWIKSA-N 409.555 3.500 0 1 HHAF c1ccc(-n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)cc1 117687099 DZWLTXLJZHDQOP-UHFFFAOYSA-N 422.496 3.517 0 1 HHAF O=C(N[C@@H]1COc2ncccc21)[C@@H](CN1CCCC1)c1ccc(Cl)cc1Cl 146596055 PKHTYKLFJAEFOW-FUHWJXTLSA-N 406.313 3.818 0 1 HHAF N[C@H]1CC[C@H](Nc2ncc(Cl)c(-c3cccc(NCc4ccncc4)n3)n2)CC1 169703637 HLXPIJVVSYSLEA-IYBDPMFKSA-N 409.925 3.881 0 1 HHAF COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709708 IUHCNOPBGCKYPN-HRAATJIYSA-N 411.502 3.945 0 1 HHAF O=C(NCc1ccccc1-c1ccc(F)cc1)c1ccn(CC(F)(F)F)c(=O)c1O 205153181 GLMWTHDKDHKJTD-UHFFFAOYSA-N 420.362 3.852 0 1 HHAF CCCCCCCCn1cc(O)c(=O)cc1COC(=O)[C@@H](N)Cc1ccccc1 205415159 JUJVDFMQIMUPNG-FQEVSTJZSA-N 400.519 3.528 0 1 HHAF CN(C)c1cccc(-c2cn(C)c3cc(S(=O)(=O)Nc4ncns4)ccc23)c1 205421860 YFTWJMJJNTUAPW-UHFFFAOYSA-N 413.528 3.564 0 1 HHAF COc1ccc(C(=O)Nc2sc(Nc3ccc4ncccc4c3)nc2C(N)=O)cc1 207296585 YEVWDVAFXBYRTF-UHFFFAOYSA-N 419.466 3.795 0 1 HHAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(CO)nc3)c(F)c2n1 221624610 RWAOVJGCJJFPRG-UHFFFAOYSA-N 405.404 3.757 0 1 HHAF CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1CC(C)=CC[C@@H](O)[C@](C)(OC[C@@H]2C)[C@@H]3O1 255196933 ASYFQGFROIAMPM-JILWKCAMSA-N 406.563 3.880 0 1 HHAF CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(F)cc1F 261155847 PXLJQXYHONWMKB-IBGZPJMESA-N 422.439 3.899 0 1 HHAF CCCc1cnc(N)c(CNC(=O)Nc2ccc(OC(=O)OC(C)(C)C)cc2)n1 473155188 PXWJOMRZSGEMDN-UHFFFAOYSA-N 401.467 3.647 0 1 HHAF Cc1cnc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 586946137 RZMMNJSMENYNRM-UHFFFAOYSA-N 408.892 3.720 0 1 HHAF CCOc1cc(/C=C\c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(Br)c1OC 586978206 NNZOFYOPKUGRMB-PLNGDYQASA-N 424.686 3.711 0 1 HHAF O=c1cccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)n1CCOc1ccccc1Cl 587064007 IRGOIEYHYFOSFU-UHFFFAOYSA-N 421.844 3.706 0 1 HHAF CN[C@@H](c1cccnc1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587227555 ZSTMLBQBKOJRNO-FQEVSTJZSA-N 412.453 3.992 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349788 QOMQGAMHSGUOOQ-WCAVRKLYSA-N 412.413 3.561 0 1 HHAF CCOC(=O)[C@@H]1CCN(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395484 MVCLNWQYRNVKLM-NBGIEHNGSA-N 422.525 3.757 0 1 HHAF COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559221 ZPQGAIPJDQRBKY-UWJYYQICSA-N 404.365 3.701 0 1 HHAF O=C(O)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594339 GQYSYPBDEQYSNR-NFBKMPQASA-N 406.390 3.949 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2F)N1 587739093 TXPMADWRSOXHFG-QEIWDELWSA-N 417.294 3.907 0 1 HHAF CNC(=C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC 587741791 IOVFFFJOPAMTHB-LHSJRXKWSA-N 418.354 3.955 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587771697 CJWZWIGLLVBWHV-BLVKFPJESA-N 407.283 3.714 0 1 HHAF CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822799 MLVITGNWTQAONA-COSYQWLLSA-N 402.263 3.768 0 1 HHAF O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 653891195 XUSNHDNNNUMOBX-UHFFFAOYSA-N 401.419 3.526 0 1 HHAF CC1(C)Cc2n[nH]cc2[C@@]2(C1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962930674 WIXKESDEHWMVEL-RDPSFJRHSA-N 419.481 3.723 0 1 HHAF COc1ccc(C(=O)C[C@@]2(C(F)(F)Cl)NCCc3c(C(=O)O)cccc32)cc1 963125264 SVXNNCSEKVHNPG-LJQANCHMSA-N 409.816 3.839 0 1 HHAF CC[C@]1(c2ccc(F)cn2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963144974 MSRKSTGPXVJUBN-YJYMSZOUSA-N 407.467 3.577 0 1 HHAF C[C@]1(c2cc(Cl)ncn2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180366 NATMQXHTDUSKAF-RFAUZJTJSA-N 406.191 3.665 0 1 HHAF CCOC(=O)c1cnn(CC(=O)c2ccccc2)c1NC(=O)Nc1cccc(F)c1 1772586172 OTAQLJJDFCKGHF-UHFFFAOYSA-N 410.405 3.726 0 1 HHAF COc1ccc(N)c(-c2cnc3n[nH]c(-c4cc(OC)c(OC)c(OC)c4)c3c2)c1 1857557729 CBHPMGOQXQXBOD-UHFFFAOYSA-N 406.442 3.909 0 1 HHAF COc1cccc([C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1 1857559270 PEGDWAZVYUFIRC-QGZVFWFLSA-N 404.875 3.697 0 1 HHAF Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C3CC3)[C@@H]2c2ccc(F)cc2)c1 1857602864 QLPZMPXONGNWLO-SFTDATJTSA-N 418.472 3.857 0 1 HHAF COc1ccc([C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 1487071 PUJCSYJMQMUYPS-OAHLLOKOSA-N 424.400 3.668 0 1 HHAF C[C@]1(O)OC(=O)C(c2ccc(Cl)c(Cl)c2)=C1c1ccc(S(C)(=O)=O)cc1 3928664 STMDMLVEEZZZEO-SFHVURJKSA-N 413.278 3.573 0 1 HHAF CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 4177308 VUIPZNXKQCQODT-IFLJBQAJSA-N 422.518 3.635 0 1 HHAF CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCO 4212807 JGPOVKXZTWAZQD-IAGOWNOFSA-N 415.303 3.711 0 1 HHAF Cc1nc2ccc(S(=O)(=O)CCC(=O)N[C@H]3CCCc4ccccc43)cc2s1 9116874 BTKNERLTSYDJOM-SFHVURJKSA-N 414.552 3.962 0 1 HHAF COc1ccc(CO[C@H]2c3c(ncn3Cc3ccc(OC)cc3)N=CN(C)N2C)cc1 13559515 CLPKSEJPYWUGKC-QHCPKHFHSA-N 421.501 3.616 0 1 HHAF Cc1ccc(OC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1 26184929 TWDBQSVPOXBIAE-UHFFFAOYSA-N 406.485 3.990 0 1 HHAF CCOC(=O)N1CCC(c2ccccc2)(S(=O)(=O)c2ccc(OC)cc2)CC1 28354082 QQFIKDACOYRIAM-UHFFFAOYSA-N 403.500 3.617 0 1 HHAF CC(=O)Nc1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)cn1 43019612 WCNZQPYAPSRAAN-UHFFFAOYSA-N 423.542 3.913 0 1 HHAF COc1cccc(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c1OC 82068585 HGZWZPPIXYDITM-UHFFFAOYSA-N 418.457 3.521 0 1 HHAF COc1cc(-c2cnc3ccc(-c4cc(OC)c(OC)c(OC)c4)nn23)ccc1O 82083238 ZNNSBKDYNQUUFZ-UHFFFAOYSA-N 407.426 3.803 0 1 HHAF CNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 84708936 GEVKVPCFOBWCIY-INIZCTEOSA-N 406.269 3.793 0 1 HHAF CS(=O)(=O)NC(=O)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 95572429 NSPVFFZZDPHABN-CQSZACIVSA-N 412.945 3.859 0 1 HHAF COC(=O)CNC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 95603939 GCEDKZUSQMUAQW-RXRHROABSA-N 401.547 3.526 0 1 HHAF CCNS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)cc1Cl 138246461 IQCVKSWBTSKHPZ-UHFFFAOYSA-N 405.903 3.884 0 1 HHAF Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 143041328 OAJFXLONALDQMM-UHFFFAOYSA-N 415.877 3.778 0 1 HHAF CC(C)(CNC(=O)c1nc(C#N)c2cc(Sc3ccccc3)ccc2c1O)C(=O)O 146666146 SAZUPALACQZLTL-UHFFFAOYSA-N 421.478 3.804 0 1 HHAF CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149038302 VHLFWQNBFYCMBY-CQSZACIVSA-N 404.396 3.719 0 1 HHAF CC(C)c1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@H]2c2ccccc2)s1 169688688 ZDTFAGXQRKCDIJ-HUUCEWRRSA-N 411.508 3.879 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2 199682179 RDDVYKBDIYAHDT-DHIUTWEWSA-N 400.588 3.548 0 1 HHAF COc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(CO)cc4)cc3)cc2c1 203657890 YVEXQRMOPJIMFO-UHFFFAOYSA-N 422.506 3.814 0 1 HHAF COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 257558018 USYOOQFISINJLZ-PEEHDPLPSA-N 406.519 3.959 0 1 HHAF endogenous,in-man Cc1nn(C)c(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1Cl 299855843 GUFUJCNKQZLDLW-OAHLLOKOSA-N 415.881 3.565 0 1 HHAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4C[C@]5(C)CN(C)C[C@](C)(C4)C5)[C@H]3C=C12 504617090 FIPCGZHKEIMIJW-PWOLKMFLSA-N 400.607 3.964 0 1 HHAF biogenic CCOc1ccccc1[C@@](N)(c1nc2c(Br)ccnc2[nH]1)C(F)(F)F 587091305 CWPSDTUEYNLUKU-OAHLLOKOSA-N 415.213 3.884 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 587125460 FRAHACZKSSOEFS-QUBYGPBYSA-N 401.190 3.891 0 1 HHAF O=C(COc1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1)Nc1ccccc1F 587154130 JQNPUHKROZNLJC-UHFFFAOYSA-N 417.400 3.968 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2c1 587163992 PSZAXVXTHHZNMP-MRXNPFEDSA-N 406.255 3.902 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 587180600 HXLAGIJPWVIRIY-XLKFXECMSA-N 424.246 3.726 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN3CCN(C)CC3)cc1)CC2=O 587477234 WSZCWVGLNYXRLW-XMMPIXPASA-N 424.541 3.677 0 1 HHAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597403 UVMKALZHHBSTJO-YWUSGSKHSA-N 409.438 3.876 0 1 HHAF COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622539 PDFRQCGKMTWGTL-UHFFFAOYSA-N 416.206 3.969 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742440 RJTGRSUNOOPFPA-MPBGBICISA-N 421.310 3.679 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 587744432 ZXDOSOMYDVOXEN-MPBGBICISA-N 421.310 3.679 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587745485 WGUQEANLMWXQHK-ZKTNFTSUSA-N 421.310 3.725 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COC(=O)c2ccccc2N)N1 587750093 RKQQWSSYJQFAKS-NSPYISDASA-N 407.283 3.777 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587763761 MFYXCRNEUZSXPA-DPJCMNGNSA-N 407.331 3.658 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587798117 XMIPUAMQGFCFKB-JEOXALJRSA-N 408.267 3.984 0 1 HHAF CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)N2NN=NC2=N1 587799363 YEWATQWIAUVPGR-RTEYPVDISA-N 407.291 3.557 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2c(=O)n1C 587863017 AXUICCJRHGBYIX-UHFFFAOYSA-N 400.360 3.814 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1CCC(C)CC1 587869668 MIFAHYPFRRYZCQ-CQSZACIVSA-N 410.440 3.981 0 1 HHAF O=C(O)c1cccc2c1CCN[C@]2(CSc1nncs1)c1ccc(F)cc1 963130109 IFIRJGATFJLZLN-LJQANCHMSA-N 401.488 3.557 0 1 HHAF CC1(N2CCC3(CC2)NCCc2ccc(O)cc23)CCN(Cc2ccccc2)CC1 963331496 ZKJQDDOVYYQHRL-UHFFFAOYSA-N 405.586 3.884 0 1 HHAF CC(=O)c1cccc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)n1 1857566333 SCKZBHFDQXRZPP-UHFFFAOYSA-N 414.469 3.580 0 1 HHAF COc1ccc(-c2ccc3[nH]cc(-c4nnco4)c(=NCCn4ccnc4)c3c2)cc1 1857587336 WFGCESIOEGALPQ-UHFFFAOYSA-N 412.453 3.691 0 1 HHAF COC[C@@H]1[C@H](COC)Cc2cc(OC)c3c(c2[C@H]1c1ccc(C)c(OC)c1)OCO3 2356676254 RGKGGBJGKSZTNG-UEXGIBASSA-N 414.498 3.954 0 1 HHAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 2356718673 CDTUVRQKZSSELK-ZVDOUQERSA-N 423.523 3.878 0 1 HHAF CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1 4967360 UISOFTFMCMGCRC-XLIONFOSSA-N 410.539 3.955 0 3 HHAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H]1CO[C@H]2[C@@H]1C 15274115 XXKVJYBTOZDMRE-YZRASEIHSA-N 416.470 3.982 0 1 HHAF biogenic,in-vitro CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1cccc(NC(C)=O)c1 27870270 ZIFJKYODHHQQLQ-OAQYLSRUSA-N 409.486 3.908 0 1 HHAF CO[C@@]1(c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)CCCO1 28395241 WCXDKARFAAZQFT-NRFANRHFSA-N 416.474 3.692 0 1 HHAF COc1nc2[nH]ccc2cc1C(=O)N1CCc2c(cnn2-c2ccccc2Cl)C1 28708573 TXHYHAANWSNBCR-UHFFFAOYSA-N 407.861 3.609 0 1 HHAF C[C@H](CCC(=O)O)[C@@]1(O)CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820953 JSIQROACCRQDKK-SJRLTEROSA-N 408.579 3.593 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OCCCc1ccccc1)[C@H](OC(=O)c1ccccc1)C2 36271081 LLAHJYBITWOMNU-AFXVXQJMSA-N 407.510 3.871 0 1 HHAF O=C(O)CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[C@@H]2CCCCC[C@@H]21 38152827 HNROBLLXPPBPNO-HKUYNNGSSA-N 418.490 3.947 0 1 HHAF O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 40973235 YWNFBFMORHLUGP-UHFFFAOYSA-N 406.467 3.899 0 1 HHAF Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 44667946 PFHKAGAZRDERTK-OAQYLSRUSA-N 413.481 3.987 0 1 HHAF in-vitro O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1ccn(-c3ccccc3)c1-2 53230535 QSXHGJRPDYPKQP-UHFFFAOYSA-N 402.475 3.764 0 1 HHAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccc3OC)cc21 72114205 ICEDUEHQRWWIHL-QGZVFWFLSA-N 411.454 3.525 0 1 HHAF CCCCOCCCNC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82084773 SOUXNXYOSBSWHZ-UHFFFAOYSA-N 409.939 3.516 0 1 HHAF COCc1cc(NC(=O)c2ccc(Cl)cn2)cc([C@@]2(C)CCSC(N)=N2)c1 96174295 XJAGTLYCECKDIQ-LJQANCHMSA-N 404.923 3.801 0 1 HHAF COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)c1 100108704 YMBDSKWBQLBVHQ-NUNAXRQHSA-N 400.482 3.729 0 1 HHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1csc(-c2ccncc2)n1 117587888 SDCJFRXADZSTLM-UHFFFAOYSA-N 409.515 3.716 0 1 HHAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N(C)C(=O)C(C)C)c2)nc1 148266676 ZARPXWHOFLXANE-UHFFFAOYSA-N 417.513 3.704 0 1 HHAF Fc1ccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112478 SSIMRFYYUFVKNG-XMMPIXPASA-N 416.616 3.983 0 1 HHAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1 200832623 VWZQMRROJVQILU-UHFFFAOYSA-N 421.379 3.746 0 1 HHAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 253677485 JOCGWOQFKXCOGL-KLCIVUIPSA-N 413.650 3.991 0 1 HHAF Cc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)NC4CCCC4)cn3)c2)cn1 299840158 USXOZIVAMYGORY-UHFFFAOYSA-N 404.474 3.892 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299887390 YTQIWACAWZKGIH-VGUOSERISA-N 414.527 3.658 0 1 HHAF COc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1F 586952519 FIUHZUAKKORBFP-UHFFFAOYSA-N 404.448 3.635 0 1 HHAF COC(=O)c1cccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 587198630 OBBVDDRIYFQGTD-UHFFFAOYSA-N 400.438 3.875 0 1 HHAF COc1cc([C@]2([C@@H](C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587355389 XNPNJVVOEGFEFS-HSJHCEBHSA-N 424.424 3.881 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(N)c1)(c1ccc3c(c1)OCCO3)O2 587388331 AMGHMZIXSWVENO-DEOSSOPVSA-N 402.450 3.840 0 1 HHAF COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426907 AOIQBLFFHHSTTK-XNVILDLWSA-N 405.491 3.521 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(F)ccc1OC)CC2=O 587469384 YZJKHMGLPXOGKD-JOCHJYFZSA-N 402.418 3.916 0 1 HHAF CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521035 HSMVRBJYRODFCB-UHFFFAOYSA-N 414.498 3.953 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595358 NGWAUABJWUZTAO-NZQKXSOJSA-N 422.389 3.567 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587830974 GPJKQJSKYPCOIE-NFSSXHDISA-N 408.267 3.504 0 1 HHAF Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCOC2 653802055 QXVPIMJPDBDVJS-UHFFFAOYSA-N 413.481 3.513 0 1 HHAF Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5ncccc54)c(F)c3)ccc2n1 653866728 PUPPQIJTGDNLQN-UHFFFAOYSA-N 403.392 3.672 0 1 HHAF CC(=O)N(C)c1cccc([C@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697912 BZCMIUGOPFVMJF-QUCCMNQESA-N 424.394 3.690 0 1 HHAF CN(C)c1cccc([C@]2(CCCCC(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963024410 NFYMYOKTUUKVLF-GKVSMKOHSA-N 421.541 3.695 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cnc(C(=O)OCC)c(C(=O)OC)c1 963232510 SSLLOPPHSPVAFW-GYCJOSAFSA-N 410.514 3.965 0 1 HHAF C[C@H]1CN(c2ccc(N3Cc4c(cccc4-c4cccnc4)C3=O)cn2)C[C@@H](C)O1 1772618655 QQMYLOXRXJROIM-CALCHBBNSA-N 400.482 3.918 0 1 HHAF COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc2ncccc2c1 1857607185 PLBGANAGCVWTRS-UHFFFAOYSA-N 419.506 3.812 0 1 HHAF COc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)Cc2ccc3c(c2)OCO3)cc1 1911571068 KKWSKAHSQVBLDK-UHFFFAOYSA-N 421.497 3.766 0 1 HHAF C[C@@H]1C=C[C@@H]([C@H](O)CC(=O)CCc2ccc(O)c(OCN3C=C4N=CC=C4C3)c2)CC1 2356876089 ZVGKTDSIMVSATQ-ROMRWMGNSA-N 422.525 3.751 0 1 HHAF C[C@]1(C(=O)NCCc2ccccc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61926693 DSWJFZVWXUUDSZ-XMMPIXPASA-N 402.450 3.530 0 3 HHAF COc1cc2c(c(O)c1OC)C(=O)[C@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 1654631 WZXGHJPWPNTBTF-UTKZUKDTSA-N 403.434 3.839 0 1 HHAF CCN(CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c(NCCO)nc(C)nc21 7991806 XXFUSEOGGGHVBF-QGZVFWFLSA-N 410.566 3.889 0 1 HHAF Clc1ccc2c(NCCCN3CCN(CCCNCC4CC4)CC3)ccnc2c1 27641842 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COc1cc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](O)CCN2C3=O)nc2ccccc12 116942103 ITGLTDQKVCYKND-ACJLOTCBSA-N 418.453 3.539 0 1 HHAF COC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1[C@]21N=C(N)N(C)O1 141019176 DFRNTCQKLKHICI-ZZVXHFGESA-N 405.542 3.948 0 1 HHAF Nc1cc(C(=O)O)cc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c1 150613443 SSNKCDYYRYXDIJ-UHFFFAOYSA-N 408.479 3.559 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncoc3C3CC3)c2)c2cncnc21 169707924 ZUUCTORMKRCSDB-UHFFFAOYSA-N 416.441 3.756 0 1 HHAF COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 257558020 USYOOQFISINJLZ-SLNMNRQJSA-N 406.519 3.959 0 1 HHAF endogenous,in-man CN(C)CCOc1ccc(N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)cc1 299858401 RFZOKDHXERHEBQ-UHFFFAOYSA-N 412.511 3.860 0 1 HHAF COC(=O)CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C 299870291 WBOHIDITFNXQBL-UHFFFAOYSA-N 414.462 3.512 0 1 HHAF O=C(c1ccc(F)cc1)C1CCN([C@H]2Cc3c(cccc3OCCF)C[C@H]2O)CC1 473082444 HPFMDGHQRJOFBK-FCHUYYIVSA-N 415.480 3.597 0 1 HHAF COC(=O)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587000775 KUOVBFXOUOUAIS-AWEZNQCLSA-N 413.275 3.836 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017625 OBXXCNBNTOMEIG-UHFFFAOYSA-N 416.528 3.901 0 1 HHAF N=c1[nH]cc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc-2[nH]1 587030303 BYAWUDQZJYPNKL-UHFFFAOYSA-N 410.890 3.840 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134777 OLSQXNNZWLYQJL-GQCTYLIASA-N 417.359 3.679 0 1 HHAF Cc1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 587170233 PIZXEUMZCSPLAJ-UHFFFAOYSA-N 412.284 3.594 0 1 HHAF Cc1c(Br)cnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12 587236090 YUOFUDQUKYMJLU-UHFFFAOYSA-N 423.311 3.892 0 1 HHAF Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341166 VNVOKBIKIVMCKA-AUSIDOKSSA-N 423.396 3.913 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587797944 UAGDVOFMZAMRJF-GIGQVBGESA-N 405.267 3.635 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 587837196 DETWVGGOXXPJIL-DGIBIBHMSA-N 404.235 3.970 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(NC(C)=O)c1 587867898 PWLSYRCKRVBAJX-UHFFFAOYSA-N 404.348 3.619 0 1 HHAF COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC 587868228 XVZIFDTYLDBTFP-UHFFFAOYSA-N 407.348 3.678 0 1 HHAF CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(F)c2)CC1 653795650 NLHCISCLHSDPBA-UHFFFAOYSA-N 420.550 3.771 0 1 HHAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(Cl)cc1 1772615862 WMDFOUUNXWEBFQ-QHAWAJNXSA-N 402.897 3.974 0 1 HHAF O=C(CN1CCC[C@@H](CCc2ccccc2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 1857566021 JMLPATPCDYFEAO-LOSJGSFVSA-N 405.586 3.722 0 1 HHAF O=C(CN1CCC(F)CC1)Nc1ccc(OC2CCN(C3CCCC3)CC2)cc1 1857577100 WFDSKWWZSKEWSF-UHFFFAOYSA-N 403.542 3.845 0 1 HHAF O=C(O)c1cc(NC(=O)c2cnccn2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857590756 FSXSJQSLCYEKDE-UHFFFAOYSA-N 402.454 3.561 0 1 HHAF CC(=CC[C@@H](O)C(C)(C)O)CCC=C(C)CCOc1c(O)cc2c(c1O)COC2=O 2356738501 RPJDHRTUFGAQKI-LJQANCHMSA-N 420.502 3.732 0 1 HHAF COC(=O)[C@@]1(Cc2ccc3c(c2)CCC(C)(C)O3)OC(=O)C(O)=C1c1ccccc1 2356785458 AFQJNPHIZPDBIY-DEOSSOPVSA-N 408.450 3.771 0 1 HHAF CC[C@@H](C)C(=O)Nc1nc2c([nH]1)C[C@H](c1cnc(NC(=O)c3ccccc3)[nH]1)CC2 2356790560 FSEAGKJOZOEDRV-UKRRQHHQSA-N 406.490 3.642 0 1 HHAF Cc1ccc(Cn2c3ccccc3c3nnc(NCCCN4CCCC4=O)nc32)cc1 6781697 XFPYACLXMXLWLR-UHFFFAOYSA-N 414.513 3.761 0 1 HHAF CCCCN(Cc1ccc(F)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40405062 ZPIFUFLCIQEAIK-JOCHJYFZSA-N 418.463 3.886 0 1 HHAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](C(=O)NCc1ccncc1)[C@@H]2O 40556566 PHCMYYPTUPNLMJ-SSNODSCZSA-N 406.526 3.547 0 1 HHAF in-vivo CC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CNC6)ccc43)[nH]n2)CC1 68208750 ADRMFUJERSSARP-UHFFFAOYSA-N 415.457 3.682 0 1 HHAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1CCC1 72175612 GWCRDVWAXLTOOC-VGOFRKELSA-N 412.493 3.872 0 1 HHAF CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](O)C(F)(F)F 96177804 NVRIZFZJZGOIOM-ZFWWWQNUSA-N 423.443 3.528 0 1 HHAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(c1ccc(C(=O)Nc3ccccc3N)cn1)C2 100071148 YCAXAMGLAZSIOJ-IRXDYDNUSA-N 423.517 3.504 0 1 HHAF O=C(O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114764101 SDDOWGLGHALEIE-UHFFFAOYSA-N 412.534 3.643 0 1 HHAF COc1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c1 115730173 QRPRYIWQANRRFW-UHFFFAOYSA-N 411.479 3.785 0 1 HHAF NC(=O)c1cccc2c1c(C[C@H](O)CO)cn2-c1ccc(Oc2ccc(F)cc2)cc1 146660709 WXUXQOGIRNAHNO-SFHVURJKSA-N 420.440 3.557 0 1 HHAF COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4F)C3=C2)ccn1 149130150 ZJQFXZYGQOXOBI-UHFFFAOYSA-N 414.440 3.520 0 1 HHAF O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cc(C(=O)O)ccc2N1 168263889 YFHGXHNQVQUWMP-UHFFFAOYSA-N 413.518 3.637 0 1 HHAF COc1cc(OC)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 586939332 UQTIYHBCFRFSLS-KRWDZBQOSA-N 423.922 3.909 0 1 HHAF CC(C)(C)OC(=O)N[C@@H](Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)O 587104315 QBVJCLWCCOELBP-IBGZPJMESA-N 418.449 3.967 0 1 HHAF Cc1c(Br)cnc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 587133143 YNONIXZGKCXPLM-SECBINFHSA-N 417.254 3.998 0 1 HHAF C[C@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338439 ODGRNCRNRSAHLH-NZQKXSOJSA-N 407.397 3.985 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc(Cl)cc12 587571121 PIPSACUKTOIXII-IIBYNOLFSA-N 411.772 3.994 0 1 HHAF COc1ccc2c(c1)nc([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C 587574077 AJVDNTMBBFULIE-UGKGYDQZSA-N 402.406 3.990 0 1 HHAF CCO/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC 587707840 XLYFWYAQVHJHED-XUFLMEFDSA-N 411.237 3.977 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 587837197 DETWVGGOXXPJIL-GIGQVBGESA-N 404.235 3.970 0 1 HHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(Br)c(O)c(OCC)c1 617980974 XDUYLRBJCMNKIZ-UESPBHMZSA-N 415.309 3.750 0 1 HHAF Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21 653716284 POSRSBGSQMKPAD-UKILVPOCSA-N 415.537 3.834 0 1 HHAF COc1ccc2c(c1OC)[C@@H](c1sc(N3CCOCC3)nc1Cl)N(C)[C@H](C)C2 962617235 BACVIPITZISGSF-WBMJQRKESA-N 423.966 3.616 0 1 HHAF CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962637400 ZSXRNXRXDQPFBF-IPQOISQHSA-N 423.431 3.804 0 1 HHAF Cc1cc(-n2cc(C3=CCOCC3)c3ccc(=N[C@@H](C)c4ccc(F)cn4)[nH]c32)n[nH]1 1857558817 MLJKSWPNIQXPCX-HNNXBMFYSA-N 418.476 3.990 0 1 HHAF COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cn1 61904907 FBVUPVUUBQXHQI-HSZRJFAPSA-N 404.470 3.551 0 3 HHAF CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 7096633 WYCZGZMJAKTBLU-UHFFFAOYSA-N 402.450 3.837 0 1 HHAF biogenic COc1ccc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c(OC)c1OC 12306115 KLWZSVBVKAOHBY-QGZVFWFLSA-N 400.475 3.518 0 1 HHAF CCCCCOc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 13725128 NATABTMCIQIPPL-SFHVURJKSA-N 409.446 3.534 0 1 HHAF COc1ccc(/C=C/C(O)=C2/C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)c(OC)c1OC 15962200 OWUWZAVJFQJYSL-KJHZLJRWSA-N 423.465 3.950 0 1 HHAF COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(N4CCCC4)c3Cl)nc2c1 26144440 GEIUIROSXAJZMB-HHHXNRCGSA-N 404.923 3.836 0 1 HHAF COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(N4CCCC4)c3Cl)nc2c1 26144447 GEIUIROSXAJZMB-MHZLTWQESA-N 404.923 3.836 0 1 HHAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3ccc(Cl)cc3O2)CC1 27881636 QQFDKODFBMDMPZ-QGZVFWFLSA-N 413.905 3.768 0 1 HHAF O=C(NC(=O)c1ccccc1Cl)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 29391130 HSIROXKZQCRICQ-INIZCTEOSA-N 400.891 3.761 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)CN1CCCCC1)CC2 35034040 FBPNTMZGTOFESD-XMMPIXPASA-N 412.505 3.803 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)[C@H](O)C[C@H]21 39181395 GAQSWPYYPSDAAV-ZOBQAXMWSA-N 418.574 3.559 0 1 HHAF O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 73240325 KZWACXAMTSGJSU-GYCJOSAFSA-N 420.944 3.787 0 1 HHAF CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc(Cl)cc(Cl)c2)C1=O 83294448 CEZOSLUOJRBOEP-UHFFFAOYSA-N 412.294 3.887 0 1 HHAF O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H](CO)N12 95668738 BQMHFLZDQZXGCU-BFLUCZKCSA-N 416.496 3.664 0 1 HHAF CC1(C)c2cnc(C3CC3)nc2CN1[C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1 96284071 UBOJLBRUXZIMSC-HEFCMCLBSA-N 400.473 3.540 0 1 HHAF C[C@H]1CC[C@@H](Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1 118564604 NBHKKDNCENFLJU-ZWKOTPCHSA-N 413.481 3.888 0 1 HHAF COC(=O)/C=C(/C)CC/C=C\[C@H](C)CC[C@@H]1CCC[C@](O)([C@H]2CSC(=O)N2)O1 140636410 ZDGSZBCCKDDREV-QMTGLHIFSA-N 411.564 3.941 0 1 HHAF C[C@@](O)(COc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 202591319 UTHBYPVKUDRAEM-MRXNPFEDSA-N 420.290 3.660 0 1 HHAF C[C@@H]1CCCC[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 207148775 XEGAKSMBTFYKAD-GDBMZVCRSA-N 424.538 3.589 0 1 HHAF Cc1ccnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 586950359 VDGPCQCIFTZOMA-UHFFFAOYSA-N 422.466 3.505 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(Br)c2[nH]1 587201865 CLILAZQRZRIXSV-CQSZACIVSA-N 418.247 3.768 0 1 HHAF COc1ccccc1C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349523 IRIPGJFNGJMKFU-ZJSXRUAMSA-N 422.408 3.965 0 1 HHAF Cn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C(F)(F)F 587659096 XOSKGVRLOSYLHM-UHFFFAOYSA-N 416.334 3.643 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)nc2)N1 587771045 DWZOFVHHVQKUKM-RNODOKPDSA-N 420.326 3.618 0 1 HHAF Nc1cc(N)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 653702282 MBCYZCCFYLMVFK-UHFFFAOYSA-N 422.539 3.572 0 1 HHAF CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Br)cc2OC)cc1 1857555833 DTPZBRFGWPLSKU-UHFFFAOYSA-N 416.293 3.666 0 1 HHAF CCc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1 1857755093 ZMHSTSIVKKHHKD-UHFFFAOYSA-N 411.483 3.949 0 1 HHAF C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccccc3OC)n2)c1 1857756495 UKLIKRBCGWWHAL-UHFFFAOYSA-N 404.430 3.997 0 1 HHAF CC[C@]1(O)CC[C@@H]2CC=C3OC(=C4OC(=O)C(C)=C4OC)[C@H](C)[C@@H]3[C@H]3CCC[C@@H]1N23 2356491796 QCAFHXTWKUQEOP-YQBPRVQKSA-N 415.530 3.772 0 1 HHAF COc1cc2c(cc1OC)C1=Cc3c(OC)cc(OC)c(OC)c3CN1[C@@H](OC)C2 2356833019 JXKGJWVICBGELZ-QFIPXVFZSA-N 413.470 3.572 0 1 HHAF O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 12442664 ACGOMXUBJCYCGB-KRWDZBQOSA-N 407.445 3.835 0 3 HHAF COc1ccccc1-c1cc(NC=O)c2ncc(-c3ccc(S(C)(=O)=O)cc3)n2c1 61904742 BFKXFVUHICZJMJ-UHFFFAOYSA-N 421.478 3.649 0 3 HHAF CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cc(Cl)cc(Cl)c1 13892423 QUKRFPQSAGJATM-AWEZNQCLSA-N 403.306 3.509 0 1 HHAF CN1CCN(c2cccc3c2CN(c2csc(-c4ccncc4)n2)C(=O)N3)CC1 14974684 LSFAJUUYCKHDNF-UHFFFAOYSA-N 406.515 3.509 0 1 HHAF CN[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@@H](O)CNC(C)C)ccc4[C@H]3CC[C@]12C 66262618 RUQKSSQNZBKNNF-SKKBRJBHSA-N 400.607 3.868 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)s1 82219697 SHAWAIYAPVBNRF-AWEZNQCLSA-N 411.506 3.670 0 1 HHAF COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(S(C)(=O)=O)cc2)cc1 98085384 GIPJJKDAYCSIOL-YADHBBJMSA-N 423.490 3.634 0 1 HHAF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100403284 WIYUZYBFCWCCQJ-KBCQWCIPSA-N 414.505 3.573 0 1 HHAF CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3)C[C@H]21 102935218 GDHQBJVFNKIBKI-UBRQYEGLSA-N 410.583 3.683 0 1 HHAF O=C1C[C@H](N2CCN(C3c4ccccc4-c4ccccc43)CC2)C(=O)N1c1ccccc1 103228367 SCGSBRFKLVEQON-DEOSSOPVSA-N 423.516 3.706 0 1 HHAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1C1CC1 148088165 LGERYQAFBJSKNC-NPHXMPSESA-N 405.546 3.564 0 1 HHAF Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(NOCC(C)C)ncc3C)c[nH]2)c1 169693448 KYRQJURBVOXYQQ-HXUWFJFHSA-N 423.517 3.551 0 1 HHAF Cc1cc(C)c(-c2n[nH]c(CO)c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 220785658 SBNVIWBQNRGRNW-UHFFFAOYSA-N 400.482 3.606 0 1 HHAF Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@@]13C[C@H]4C[C@H](C[C@H]21)C[C@H]3C4 254194483 YZXGXCSVJCWIGP-CGCTZLDVSA-N 409.574 3.661 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C 257610194 WQOZGNFAVRFSGE-YJCLBEADSA-N 416.514 3.626 0 1 HHAF endogenous,in-man CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 586951286 VYPDBIVVQQRWER-UHFFFAOYSA-N 413.272 3.677 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@H]2CCCC[C@H]21 586958093 GASDWOWESJHFFH-XWIAVFTESA-N 400.479 3.792 0 1 HHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(Br)c2[nH]1 586963215 YFADDWDABRUVPN-YFKPBYRVSA-N 400.689 3.910 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 587030828 IYOCTQPBCSKGHM-QVASGMJFSA-N 413.528 3.789 0 1 HHAF NS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095138 QJFIXGGUCYZHKL-UHFFFAOYSA-N 409.311 3.915 0 1 HHAF FC(F)(F)c1nn(Cc2nc3ccnc(Br)c3[nH]2)c2c1CCCC2 587120021 NWMBIGZALIDRGQ-UHFFFAOYSA-N 400.202 3.863 0 1 HHAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587158732 GRBLKXQCNBLGIB-UHFFFAOYSA-N 411.458 3.616 0 1 HHAF N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1cccc2ccccc12 587258244 CCMCLXSOIHFCHO-HNNXBMFYSA-N 414.250 3.958 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C3)NC(=O)NC2=O)c1 587363547 QRLIPUAXVCVAFP-XMMPIXPASA-N 413.433 3.724 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1C(F)(F)F)[C@@H](C2)C3=O 587421219 OGPYQRAXYZEPML-UGSOOPFHSA-N 412.385 3.606 0 1 HHAF COC(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599861 IGHXHFWSRPQYIT-XUZZJYLKSA-N 420.417 3.821 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 587839602 HTEIBYSMDFXIKE-QGHHPUGFSA-N 413.312 3.583 0 1 HHAF Cc1cccc2c1[C@@]1(CCc3ncc(O)cc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863539 YONLDCGTSMQJGC-GYCJOSAFSA-N 424.497 3.922 0 1 HHAF Cc1ccc(-c2cc(C(=O)NCCc3nc(C)no3)cc(-c3ncccc3F)c2)nc1 1857757273 AOOJIKYOFOJADZ-UHFFFAOYSA-N 417.444 3.922 0 1 HHAF COc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(C)cc3F)[C@H](C)C2)c(F)c1 1911576709 DDVYRIQCNWCUFL-HUUCEWRRSA-N 402.441 3.657 0 1 HHAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccc1N1CCOCC1 15068191 PGUOERZYMDERSZ-HXUWFJFHSA-N 420.488 3.655 0 3 HHAF CC[C@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc1 27859650 UTKVKYWAOULRJL-IIYDPXPESA-N 424.485 3.526 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cc(N[C@@H]3CCCNC3)ccc12 35285416 LTBZSJCZSBJJDR-QGZVFWFLSA-N 406.511 3.713 0 1 HHAF COc1cc(Nc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC 40938885 VAFXKTKSDPMAHT-UHFFFAOYSA-N 410.430 3.997 0 1 HHAF COc1ccc2cc3[n+](c4ccn(CCN(C)C)c1c24)CCc1cc2c(cc1-3)OCO2 71341669 IPWHMBWZXKKUDK-UHFFFAOYSA-N 416.501 3.604 0 1 HHAF Cc1nnc(N2CC[C@@H](F)C2)c2nn(-c3ccc(OCC(F)(F)F)cc3)c(C)c12 72112352 CDPXETVZRHNLTM-CYBMUJFWSA-N 409.387 3.922 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 82224372 RHFGBBJAAGEGKE-FQEVSTJZSA-N 404.514 3.531 0 1 HHAF CCOC(=O)[C@@]1(C(=O)Nc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95598410 RCPFIUFNKROQIP-AOMKIAJQSA-N 417.433 3.527 0 1 HHAF O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F 95894364 UCMLOBLUNXRBKB-KMDXXIMOSA-N 420.459 3.954 0 1 HHAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 100032370 DDVBPZROPPMBLW-ZJBINBEQSA-N 421.559 3.860 0 1 HHAF in-vivo N#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1 115731999 PUAJMEHMJUIOIE-UHFFFAOYSA-N 406.463 3.648 0 1 HHAF CCCS(=O)(=O)NCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 140761444 WECYLIIKCYSVQZ-VXKWHMMOSA-N 421.006 3.812 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2)c2cc[nH]c2c1=O 146394277 MZIDCCPICWCACE-UHFFFAOYSA-N 412.442 3.869 0 1 HHAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)Nc1ccc(C(=O)NO)cc1 147360202 XVHUBRKBAJZQFX-UHFFFAOYSA-N 402.501 3.836 0 1 HHAF O=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1CCc1ccccc1 169308744 IHLBUBWSMMXXMZ-UHFFFAOYSA-N 408.542 3.700 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC(C(F)(F)F)CC2)cc1F 206993684 BWBCZPZIZMDKGY-UHFFFAOYSA-N 417.808 3.668 0 1 HHAF COc1n[nH]c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C2CC2)n1 219045989 LHRMPDDLRMERNV-UHFFFAOYSA-N 413.481 3.777 0 1 HHAF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(O)cc(Cl)c3)CC2)C1=O 473109564 SVQVCPHXKYFPSG-UHFFFAOYSA-N 407.942 3.710 0 1 HHAF N[C@@H](N=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586921184 FJQHDHVIEHDUPY-FQEVSTJZSA-N 406.467 3.928 0 1 HHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587235204 GYMCMPYBHYPLKU-QZTJIDSGSA-N 414.550 3.946 0 1 HHAF COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C 587341491 JPUOPWZZIFCAPA-OFNKIYASSA-N 409.413 3.931 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379373 UKMIKLLHYUBCQS-NRFANRHFSA-N 401.846 3.614 0 1 HHAF COc1cc2c3c(c1)O[C@@](COC(=O)c1ccc(N)cc1)(c1ccccc1)[C@@H](C2)C3=O 587432852 NFSUZGIXNCXGJE-CPJSRVTESA-N 415.445 3.777 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCc2nnc(C)n2C1 587866793 PSJTWLHOCWKKSX-CQSZACIVSA-N 419.407 3.770 0 1 HHAF CC(=O)SCc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O 587935748 PXVBBOSBKNKFDN-UHFFFAOYSA-N 422.304 3.831 0 1 HHAF O=C(CCN1CCC2(CCc3ccccc32)CC1)N[C@H]1CCCC[C@@H]1N1CCCC1 621431398 BKESMVNREPYXQK-ZEQRLZLVSA-N 409.618 3.880 0 1 HHAF COC(=O)[C@@]1(c2c[nH]c3cc(F)ccc23)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962563402 GFXSRGCGXUXRNC-JCQPUDPBSA-N 412.461 3.617 0 1 HHAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]2(c1ccccn1)c1ncc[nH]1 962960520 UYSZYRXODQBXKC-NRFANRHFSA-N 414.431 3.767 0 1 HHAF Cn1ncc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1-c1ccccc1 962967430 NDSTVMUKZIATFC-CRAIPNDOSA-N 403.816 3.707 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCC[C@H]1C(C)=O)N(C(=O)c1ccccc1N)CC2 963142711 LBWPQGNIOOKSEN-MHECFPHRSA-N 408.498 3.569 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cccc(OC(C)=O)c1)C(F)(F)F 963604929 FYBAPOMVDKOYHW-YUNKPMOVSA-N 409.404 3.969 0 1 HHAF COc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1Cl 1772577409 FATRLUGOOPYEGJ-QGZVFWFLSA-N 409.313 3.805 0 1 HHAF Cc1c(Cl)cccc1-c1noc([C@@H]2CCN2C(=O)c2ccccc2-n2nccn2)n1 1772578092 XTZKUKVHVWZYBB-SFHVURJKSA-N 420.860 3.866 0 1 HHAF COC(=O)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@@H]2C(=O)O 1857537835 GECPWDSMOSEZFU-MRXNPFEDSA-N 410.451 3.502 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1c(F)cc(-c2ccccc2)cc1F 1857548270 FQAIXXZYHASXNG-IBGZPJMESA-N 413.424 3.579 0 1 HHAF Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)o1 1857551411 IMGXAQKLKCCYBC-GOEBONIOSA-N 419.312 3.862 0 1 HHAF CC(=O)O[C@H]1C[C@@H](C(C)=CCC=C(C)C)[C@@H]([C@H]2C(=O)C[C@@H](OC(C)=O)[C@@H]2C)[C@@H]1CO 2356444921 NZWVOVFKAOWSBT-AGSPYBODSA-N 420.546 3.622 0 1 HHAF COc1cc([C@@H]2Oc3cc(O)c4c(c3C[C@@H]2O)CCc2cc(O)ccc2-4)ccc1O 2356502030 USMHVDBYUBRDAM-RDPSFJRHSA-N 406.434 3.615 0 1 HHAF COCCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccncc3)o2)C[C@@H]1C(C)C 2356527438 HUDULLMFDVEJOI-SLFFLAALSA-N 412.534 3.681 0 1 HHAF CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)N2CCCCC2)nc1=O 101842334 QZXJNJLSNKMSEA-UHFFFAOYSA-N 415.559 3.694 0 3 HHAF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 768780 CLRATSVFOFTHTP-SJBKTWHCSA-N 424.884 3.745 0 1 HHAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2OC(F)(F)F)c2ccccc21 3927137 JIRADRSBOPYPKZ-UHFFFAOYSA-N 412.433 3.934 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCOc1ccccc1 4153943 HYARTDWGSDWVAO-JTHBVZDNSA-N 420.465 3.965 0 1 HHAF COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(OC)c2c(C)cc(O)cc2oc1=O 13308704 BMCAPTVHSYKENS-UHFFFAOYSA-N 424.405 3.915 0 1 HHAF biogenic CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 13444704 JAUZYQXKUMRTOO-UHFFFAOYSA-N 414.477 3.600 0 1 HHAF c1cc(CNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)co1 13802483 MTODVLKVNOCUCW-UHFFFAOYSA-N 404.518 3.528 0 1 HHAF COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 14968498 FKHAJTOJGDZEST-HNNXBMFYSA-N 418.925 3.662 0 1 HHAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)CCCCc1ccccc1 26579595 FHWDBURJDRCBLO-DJFLBONJSA-N 416.558 3.876 0 1 HHAF CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 28530524 VRHDKJQVCPDYJB-WEVVVXLNSA-N 415.896 3.795 0 1 HHAF O=C(CCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)Nc1ccccc1Cl 40461616 WQVJTUMDMQJVMG-INIZCTEOSA-N 408.933 3.892 0 1 HHAF CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 42888898 QRXMVMCRSAGBBI-DNVCBOLYSA-N 415.921 3.851 0 1 HHAF COc1cc2c(cn1)OC[C@@]21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 43195164 UAGKOSVYQYDDOQ-FQEVSTJZSA-N 416.355 3.927 0 1 HHAF O=C(Nc1ccccc1C(=O)N[C@H](C(=O)O)c1ccccc1)c1cc2ccccc2[nH]1 73223519 DPICGIFVBZZLMH-NRFANRHFSA-N 413.433 3.976 0 1 HHAF O=C(CCc1cccc2ccccc12)c1cccc(OC[C@H](O)CN2CCOCC2)c1 96941827 LZXBWJVSLXUVJN-HSZRJFAPSA-N 419.521 3.727 0 1 HHAF O=c1oc2cc(OCCCCN3CCN(c4ccccn4)CC3)ccc2c2c1CCC2 103268606 HRSLETLKOLSZMD-UHFFFAOYSA-N 419.525 3.658 0 1 HHAF COC(=O)[C@@H]1C[C@@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@H]52)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 141428286 BJEDIGDSPYXOHZ-JEWVLIIWSA-N 417.590 3.713 0 1 HHAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CC2)nc1CO 142711378 KJZKXTRLGGFSEG-UHFFFAOYSA-N 412.493 3.866 0 1 HHAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1-c1cccnc1N 147050904 ITKWGXVYWSDMPF-UHFFFAOYSA-N 418.407 3.901 0 1 HHAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@@H]3CNCc4ccccc43)cc2)cc1 148733184 ZEGLWOVBWQUGAL-XMMPIXPASA-N 413.521 3.607 0 1 HHAF Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1cn(-c3ccccc3)cc1-2 169294597 DFEKKPWHKRQTTL-UHFFFAOYSA-N 416.502 3.774 0 1 HHAF Cc1noc(NS(=O)(=O)c2ccc(-n3cc(O)c(-c4ccccc4)c3N)cc2)c1C 169686645 MRRPWQFVBZCSAN-UHFFFAOYSA-N 424.482 3.838 0 1 HHAF NCC1CCN(c2cccc(-c3cc(N[C@H]4CC[C@H](O)CC4)ncc3Cl)n2)CC1 169703738 UGLJPEADADUIST-CALCHBBNSA-N 415.969 3.688 0 1 HHAF C[C@@H]1[C@@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C[C@H]2C[C@@H]1C2(C)C 169729808 CBQVUEDFZOLHIN-DHXZDTOLSA-N 402.922 3.855 0 1 HHAF C[C@@H]1Oc2c(c(O)c3c(c2[C@H](CC(=O)O)C[C@@H](C)O)OC(C)(C)C=C3)C(=O)[C@@H]1C 238789587 GWJFZUCGTPBCOE-NDBYEHHHSA-N 404.459 3.505 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3ncccc23)CC1 254144251 JITGRUBMKPRQCN-PLOGPRMISA-N 417.509 3.763 0 1 HHAF COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1nc2ccccc2s1 299867444 YBEZMFUFLCWMGW-QGZVFWFLSA-N 410.524 3.736 0 1 HHAF COC(=O)c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cn1 586960954 REWPMZVMPWZKMF-LJAQVGFWSA-N 405.479 3.783 0 1 HHAF COc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1F 586974720 GOTMUZBPSWRBHK-INIZCTEOSA-N 410.243 3.538 0 1 HHAF N[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(F)cc1F 587150160 KPILPUCFDGYERC-VIFPVBQESA-N 418.039 3.809 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(Br)c2F)CC(=O)c2cc(C)cc(N)c2O1 587384179 BOLNXZKOJHSFOE-IBGZPJMESA-N 422.250 3.903 0 1 HHAF Nc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Br 587549462 XAEGGVBRQLUPKP-KDOFPFPSSA-N 413.227 3.835 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595844 OXBOYGNARIINHI-JPYJTQIMSA-N 403.390 3.518 0 1 HHAF COc1ccc(Cl)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587657237 RXNWGQVTTHJAOQ-UHFFFAOYSA-N 409.804 3.948 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587859395 WNJBMCKEIIHTPP-MTRSUYSYSA-N 423.307 3.663 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](C)([C@@H](C)OC)N2C(=O)OC(C)(C)C 962703146 FSQPEISNYIEJIJ-NBQKENEESA-N 407.482 3.727 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2C(=O)c2c(F)ccc(F)c21 962929222 HLRQVEFDFRRQAZ-RUZDIDTESA-N 418.443 3.649 0 1 HHAF CC1=C[C@H](CNC(=O)c2ccco2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356317244 ABLXZFFQKWVNFJ-PWRODBHTSA-N 409.530 3.966 0 1 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2cccs2)O3)c1 61908275 JBXGVTNHWGLDKX-QFIPXVFZSA-N 407.495 3.779 0 3 HHAF COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(CCc4ccccc4)nn3)O2)cc1 95599332 LUIUYPQWCTXRHB-DNQXCXABSA-N 405.498 3.951 0 3 HHAF O=C(CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NCc1ccccc1Cl 6750284 XNWHFUZUNBSVQY-HXUWFJFHSA-N 407.857 3.518 0 1 HHAF COc1ccc(C2=NN(CCCCn3ccnc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474114 MUZUXIDORXRNNG-RBUKOAKNSA-N 410.518 3.733 0 1 HHAF CC[C@@H](C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@]2(C)OC1=O 14610759 PDIQMKRQFHBXJF-YYUOZPCZSA-N 406.434 3.692 0 1 HHAF biogenic COc1ccccc1N1CCN(CCCCNc2ccc3cc(N)ccc3n2)CC1 29135225 MTXXOEHYWJHPTL-UHFFFAOYSA-N 405.546 3.840 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(CO)[C@H]2C[C@@H](O)[C@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@H]3O 40576725 PKVICYZLWZIYRA-FHIVYJGYSA-N 404.591 3.890 0 1 HHAF COc1cc2c(cc1OCCCN1CCOCC1)Cc1c(-c3ccccc3)n[nH]c1-2 43075701 GTBCQDGRKRXSFF-UHFFFAOYSA-N 405.498 3.758 0 1 HHAF Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5)CC3)cccc2n1 64560265 VFFOKQFHFJASRW-UHFFFAOYSA-N 400.526 3.793 0 1 HHAF COC1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)CC1 72116355 OHCPUCJXJGWRQQ-UHFFFAOYSA-N 414.571 3.749 0 1 HHAF O=C(Nc1cnc(N2CCOCC2)s1)c1nc(-c2ccccc2)oc1C(F)(F)F 73170028 VFGPJUSSSVUVHW-UHFFFAOYSA-N 424.404 3.906 0 1 HHAF C[C@@H](C(=O)NCc1ccc(Cl)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 73224046 JIQONNXVXZOTSM-SNVBAGLBSA-N 419.305 3.924 0 1 HHAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 103871011 VXRZKMARJODZFD-GOBJLOIFSA-N 406.442 3.977 0 1 HHAF CCOc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccccc1OC(F)(F)F 167042119 XQANDJLYKPJHPA-LSDHHAIUSA-N 413.367 3.958 0 1 HHAF O=C1CCc2cc(/C=C/C(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cnc2N1 169707521 CXTHEZRFDLOSGG-VEGGFIAOSA-N 402.454 3.875 0 1 HHAF COc1c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccnc1OC(C)C 169709385 UXULGPDKTQFAIV-OXJNMPFZSA-N 413.518 3.732 0 1 HHAF COc1cccc([C@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC 169715407 DIBKCKZXBFTWSV-GIPWTMENSA-N 419.886 3.732 0 1 HHAF CC(C)(C)CC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195357493 RHYRXROSVKTLCJ-BNGJETSTSA-N 423.553 3.642 0 1 HHAF CC1=C(C(=O)OC(C)C)[C@@H](c2cncnc2)c2c(nc3c(c2N)CC(C)(C)CC3)N1 206143300 LMRUKUXUSXXRLD-GOSISDBHSA-N 407.518 3.752 0 1 HHAF C=C(Br)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 206754559 SIVNSCOIWZVSSY-UHFFFAOYSA-N 415.247 3.649 0 1 HHAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc([C@H](C)O)[nH]c1C 218994499 VPBWSWQGUNRKGK-INIZCTEOSA-N 400.482 3.858 0 1 HHAF O=C(OCc1ccccc1)OC[C@H]1C[C@H](O)C[C@@H]1OC(=O)OCc1ccccc1 299856186 IONDFUFYFHCPRU-AABGKKOBSA-N 400.427 3.833 0 1 HHAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)c1 586935723 KEWAVLXWVDHQAB-UHFFFAOYSA-N 410.499 3.824 0 1 HHAF COC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2n1 587018383 XTJLRLKWGHREDD-UHFFFAOYSA-N 402.439 4.160 0 1 HHAF O=C(NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cccc(C(F)(F)F)c1 587113071 XZFQFMKKKNNSKW-UHFFFAOYSA-N 403.339 3.837 0 1 HHAF O=C1C[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587519125 UWCTXYJNUZAVMA-QHCPKHFHSA-N 421.493 3.510 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587532916 QEUMRMULNLPWEO-KBJGYGKASA-N 404.528 3.984 0 1 HHAF O=C1CC2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)Oc2c1ccc1c2CCCC1 587533640 UJWBBLCKTYVSSN-UHFFFAOYSA-N 423.534 3.754 0 1 HHAF O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2c1ccc1c2CCCC1 587533838 WLHZGJLCKCZSHX-UHFFFAOYSA-N 417.552 3.816 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587833787 IBYKZDRAMBJJTA-WLRWDXFRSA-N 412.299 3.964 0 1 HHAF COc1ccc(-c2cccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2C)c(OC)c1 587931173 REXIRTIMZZSIKF-UHFFFAOYSA-N 423.494 3.870 0 1 HHAF Fc1ccc(OCc2cc(N3CC4(CCO4)C3)nc(-c3ccccn3)n2)c(F)c1F 653784837 PRWMZIKGJGLESV-UHFFFAOYSA-N 414.387 3.514 0 1 HHAF COc1ccc([C@]2(C[C@@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962625540 FFIWNGCWXUWLSF-JRLRZGBRSA-N 413.514 3.943 0 1 HHAF Cc1ccc(S(=O)(=O)N2CC3(C2)NCCc2cccc(-c4ccccc4)c23)cc1 962673052 ZNJABXPGLULIFC-UHFFFAOYSA-N 404.535 3.708 0 1 HHAF CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc21 1772609309 DLDXMINZRQNSDI-AWEZNQCLSA-N 400.918 3.550 0 1 HHAF O=C(CO)N[C@H]1CC[C@H](CCN2CCC(c3noc4cc(Cl)ccc34)CC2)CC1 1772613010 RICCGUYAQMEDQJ-RZDIXWSQSA-N 419.953 3.718 0 1 HHAF COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)NCc3ccccc3)no2)cc1 61928978 YTPGYLYSKYBXJS-OAQYLSRUSA-N 419.481 3.981 0 3 HHAF O=C1COCc2cc(-c3csc4ccccc34)ccc2N1CCN1CCOCC1 205221271 SHSAQKVUQPRVEZ-UHFFFAOYSA-N 408.523 3.764 0 3 HHAF COc1cccc2c1CCC[C@@H]2C(=O)N(C)CCCN1CCN(c2ccccc2)CC1 13757335 RLCDLDPMLOPMDM-DEOSSOPVSA-N 421.585 3.786 0 1 HHAF O=c1c2cn(CCN3CCOCC3)c3cc(Cl)ccc3c-2nn1C1CCCCC1 28962248 YYYCSUHAKVFNSF-UHFFFAOYSA-N 414.937 3.794 0 1 HHAF CCCC(=O)Nc1c(OS(=O)(=O)c2ccc(C)cc2)c2ccccc2oc1=O 29125344 DNHWMCOJPRHXHU-UHFFFAOYSA-N 401.440 3.608 0 1 HHAF N[C@H](CNC(=O)c1cc2c(-c3ccccc3Cc3ccccc3)cccc2[nH]1)C(=O)O 38334348 XABBSEWVPQRAHT-OAQYLSRUSA-N 413.477 3.567 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1c1c(C(F)(F)F)n[nH]c1C2 102021891 GIDDZCBUKLSXSR-ZWNOBZJWSA-N 405.829 3.923 0 1 HHAF COc1cccc(OC)c1[C@H]1COCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258873 DBVGSXHWGMFERG-OAHLLOKOSA-N 411.376 3.703 0 1 HHAF O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)C1 143722987 IUOXTZXENSYXDS-UHFFFAOYSA-N 411.241 3.997 0 1 HHAF Cc1nn(-c2ccnc(Nc3ccc4oc(C)c(Cl)c4c3)n2)cc1CN1CC(O)C1 169709016 WBUNQKQCIRJAJW-UHFFFAOYSA-N 424.892 3.599 0 1 HHAF CC1(C)Oc2ccc(-c3cccc4cnccc34)cc2[C@@]2(COC(N)=N2)C12COC2 220720562 BKDQSRMNJPVQTC-DEOSSOPVSA-N 401.466 3.630 0 1 HHAF O=C(Nc1ccccc1)C1=Cc2cc(NC(=O)c3ccccc3)ccc2S1(=O)=O 473161113 ZWXCCTAAHYPWTK-UHFFFAOYSA-N 404.447 3.706 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C(F)(F)C1 587133171 ZGLWJZJBCVESNY-SSDOTTSWSA-N 421.217 3.829 0 1 HHAF COC(=O)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2n1 587182898 PGCALEQMRUIBII-UHFFFAOYSA-N 413.602 3.670 0 1 HHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 587189441 AKDXPACINRNPHJ-LBPRGKRZSA-N 403.533 3.887 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239527 LBQBGNXMSNMDBS-HOSQHVHZSA-N 415.534 3.653 0 1 HHAF CCOC(=O)[C@H](CC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346199 HTNXMCGBWVRFAY-LEDOBFOHSA-N 414.429 3.807 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)cc(Br)cc21 587372179 OGUYFUHPLSIUKZ-KRWDZBQOSA-N 407.651 3.806 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2C(=O)COc3ccccc32)N1 587770321 PUZMBULFOQMFCU-BXUZGUMPSA-N 405.267 3.589 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)Nc1ccc(F)cc1 587861954 YLFRCXXWXNZHKQ-UHFFFAOYSA-N 407.323 3.996 0 1 HHAF COc1c(Cc2ccccc2)cc(O)n1-c1cc(C(=O)O)ncc1Br 587941759 QSBXSVVZLOAMQJ-UHFFFAOYSA-N 403.232 3.638 0 1 HHAF C[C@@]1(CC(=O)NCc2ccc(Cl)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962766714 OUQXOSPKEXZPCK-XLIONFOSSA-N 424.850 3.907 0 1 HHAF CCOCCOc1ccc(Br)cc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962913150 BJPMVPUWXYFKFR-FQEVSTJZSA-N 422.367 3.956 0 1 HHAF Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772643698 WXTWTQWQRJFWBY-UHFFFAOYSA-N 406.461 3.689 0 1 HHAF FC(F)(F)c1cccc(-c2nc3cc(Nc4ccc(-c5nn[nH]n5)cn4)ncc3[nH]2)c1 1857644860 BRRDCHCEVKZINJ-UHFFFAOYSA-N 423.362 3.962 0 1 HHAF COC[C@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(ccc(OC)c2OC)C[C@H]1COC 2356669334 XXPBZAWBQMPGDH-NJNPRVFISA-N 416.514 3.934 0 1 HHAF CCOc1ccc(NC(=O)OCCN2CCN(CCc3ccccc3)[C@@H](C)C2)cc1 23477108 HQNZUJSOBUCFOS-FQEVSTJZSA-N 411.546 3.883 0 3 HHAF CCOC(=O)C1=CC[C@H](c2ccc(F)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 34131450 MLGWDAMBIDCVGX-HXUWFJFHSA-N 403.475 3.759 0 3 HHAF CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1 13444685 CFANDXVYVGVAJZ-UHFFFAOYSA-N 402.535 3.993 0 1 HHAF COc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1 13834543 MQIIZTVPJZLAOU-UHFFFAOYSA-N 401.422 3.996 0 1 HHAF CS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)cc(C(F)(F)F)n2)cc1 29132475 KFNRPYNOMDOZLM-UHFFFAOYSA-N 408.405 3.573 0 1 HHAF O=C(Nc1ccccc1OCCO)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 38460356 SURDXQHAGDOKKM-OAQYLSRUSA-N 423.488 3.746 0 1 HHAF COc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nn2-c2ccccn2)cc1OC 43019353 FUTYXYLCCURAKS-UHFFFAOYSA-N 400.438 3.717 0 1 HHAF O=C(Cc1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95668094 FNCLCMYYCNLZAM-QFZRFWILSA-N 417.484 3.806 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5cc(F)ccc54)ccc31)[C@H]1CC[C@@H](C2)N1 96175171 NTHDPRNZKGYSQU-MAUKXSAKSA-N 409.486 3.858 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@H]1N2C/C=C/I 100791886 CZPZQMXAJDWBFP-UJGFAAGESA-N 411.283 3.745 0 1 HHAF CC(C)NC(=N)c1c(O)nsc1Nc1ccc(S(=O)(=O)c2ccccc2)cc1 101101171 RPZLTRWRXUWQGQ-UHFFFAOYSA-N 416.528 3.748 0 1 HHAF O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1 113134224 OOXWZSFGAUSTMM-UHFFFAOYSA-N 424.448 3.652 0 1 HHAF O=C(Nc1ccnc(N2C[C@@H]3C[C@@H]2CN3Cc2cccc(O)c2)c1)c1ccc(F)cc1 169295673 ZJGGDNSSIBKUOU-LEWJYISDSA-N 418.472 3.642 0 1 HHAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1 198924864 PTKFSUOJIJXMBV-UHFFFAOYSA-N 407.904 3.726 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccsc1)(N1CCC(O)CC1)C(=O)N2 219475607 WYBXCPDVXBGIIG-JOCHJYFZSA-N 409.511 3.672 0 1 HHAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261088836 DDOIPTNOPZXSRC-XUTJKUGGSA-N 414.590 3.903 0 1 HHAF NC(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027871 UANWHHIFDKETLI-JLSDUUJJSA-N 408.527 3.798 0 1 HHAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1 587116134 PHNIIQFBERCUII-UHFFFAOYSA-N 401.142 3.588 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135359 XSZWDBGXPQHENX-SREVYHEPSA-N 417.359 3.679 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(=O)(=O)c1ccccc1)(c1ccccc1)O2 587410562 YAWITOFPKDBUCD-QHCPKHFHSA-N 407.491 3.912 0 1 HHAF Cc1nn([C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br 587651471 UKFYDJVLLCXONK-SNVBAGLBSA-N 409.671 3.527 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)nn2C)N1 587683157 OBYUOKNMYMZEAG-NXSYQRQQSA-N 403.093 3.708 0 1 HHAF COc1cc2c(cc1OC)[C@H](c1ccc(I)o1)N(C)[C@H](C)C2 962640561 WWAWHLFEYJBAGM-BMLIUANNSA-N 413.255 3.867 0 1 HHAF Cn1nccc1-c1ccccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962697675 LTVRQYHZJPQEDI-MJGOQNOKSA-N 419.378 3.933 0 1 HHAF Cn1cc([C@H](CNC(=O)c2c(Cl)cccc2Cl)N2CCC(F)(F)CC2)cn1 1772617570 HNESITFVGUXARM-HNNXBMFYSA-N 417.287 3.929 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@H]2CCOC2)cc1F 1772626245 CQELORVDHHELML-JTQLQIEISA-N 405.904 3.575 0 1 HHAF O=C(NCc1ccc(F)cc1)[C@@H]1CCC2=Nc3ccc(Br)cc3CN21 1857651218 XVOOWESIEAWGKH-KRWDZBQOSA-N 402.267 3.913 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C(=O)C[C@@]2(C)[C@H](C(C)=O)[C@H](N4CC4)C[C@H]32)C1 17020415 ZFVBYRDTMKLTPA-AXXRUBHGSA-N 415.574 3.639 0 3 HHAF O=C(Nc1ccc(F)cc1)[C@H](CCc1ccccc1)N1CCN(c2ccncc2)CC1 95602343 FMDHQKGSMAOVPY-DEOSSOPVSA-N 418.516 3.983 0 3 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 12356361 IRVKXZUMTITJIC-UHFFFAOYSA-N 406.530 3.509 0 1 HHAF CC(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 13862659 UYFOANFUTFLIOV-IFKAHUTRSA-N 416.521 3.819 0 1 HHAF C[C@H](COc1ccc(C[C@H]2SC(=O)NC2=O)cc1)N(C)c1nc2ccccc2o1 27315116 UVPUFRHTTYUFDH-FZKQIMNGSA-N 411.483 3.626 0 1 HHAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1ccc(F)cc1 28702116 FKIGGPSDLUPIQN-SFHVURJKSA-N 412.421 3.577 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 33820789 MIHNUBCEFJLAGN-JMMGXLQXSA-N 406.563 3.657 0 1 HHAF CCNC(=O)c1ccc2c(c1)NC(=O)/C2=C\Nc1ccc(CN2CCCCC2)cc1 35997246 GNNMAPGYHFHFJB-QNGOZBTKSA-N 404.514 3.827 0 1 HHAF CC(=O)N1c2ccccc2Sc2ccc(-c3csc(NC(=O)C(=O)O)n3)cc21 40504080 XBZILRDLGHSISF-UHFFFAOYSA-N 411.464 3.982 0 1 HHAF O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCCN(Cc1ccccc1)C3 68266865 DISVMXDWAMMVLT-UHFFFAOYSA-N 420.900 3.540 0 1 HHAF O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1 100106109 INDQYVIMPKUAJO-ZBYYUNFXSA-N 406.436 3.999 0 1 HHAF COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633349 LXEZJBNRKHCPSS-MLGOLLRUSA-N 400.475 3.508 0 1 HHAF CC(=O)N1CCC(c2nccnc2O[C@H]2C[C@@H](Nc3ccc4ccccc4n3)C2)CC1 144112451 UUKCBNBPKAEKBA-MXVIHJGJSA-N 417.513 3.773 0 1 HHAF CN(c1ncc(C(F)(F)F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203541114 VHPUHTIXWAKPCF-CYBMUJFWSA-N 422.382 3.668 0 1 HHAF O=C(N[C@@H](c1ccc(C(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]c1 205237085 UDOMJNZQWLGPMB-INIZCTEOSA-N 409.314 3.586 0 1 HHAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cccc(Br)c1 299829139 TVRQIJHUBFBZDM-LJQANCHMSA-N 414.299 3.767 0 1 HHAF C[C@H](c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O)C1CCCC1 299858872 DYZSQTNWVOFBOT-NSHDSACASA-N 401.336 3.686 0 1 HHAF COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)ccc1O 299859167 HTGOQXHZORPGRQ-PFATUAPWSA-N 419.521 3.841 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016938 QHHVHVHXISUKEW-MRXNPFEDSA-N 406.533 3.616 0 1 HHAF O=C(CCc1nc2cnc3ccccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023388 AILUAEUEPNQPAV-UHFFFAOYSA-N 401.455 3.596 0 1 HHAF Cc1c(-c2nc3ccc(Br)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073258 DUQBAGCVVDWNMO-UHFFFAOYSA-N 403.671 3.989 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(C)(C)C)nc2[nH]1 587128569 MSZSHJUXWXVAMQ-UHFFFAOYSA-N 418.423 3.679 0 1 HHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587232415 WXUPJNBVAIIZNF-VHSXEESVSA-N 416.266 3.640 0 1 HHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)=O 587378260 TVSPNUBEZDRRBT-MRXNPFEDSA-N 420.259 3.980 0 1 HHAF COC(=O)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591871 ICLXDWGTWZJIRH-GBXCKJPGSA-N 404.418 3.898 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)nc1 587596988 STTGMLLPBJEGIF-SIKLNZKXSA-N 403.438 3.875 0 1 HHAF Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 1857539574 DSXHNIGMJDSHBS-UHFFFAOYSA-N 412.486 3.543 0 1 HHAF Cc1c(NC(=O)c2cc(CN(C)CCO)cn3ccnc23)cccc1-c1ccccc1 1857568673 CUJHPMJGKZGBFN-UHFFFAOYSA-N 414.509 3.986 0 1 HHAF COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4[nH]ccc4c3)C[C@H]2C)c(F)c1 1911577490 GZAINWUCFGBEHR-HUUCEWRRSA-N 409.461 3.691 0 1 HHAF COC(=O)[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C(=O)O)[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 2356486439 RZUPNWIKIOESCU-LAXWJAILSA-N 418.486 3.557 0 1 HHAF O=C(O)CCC=C[C@@H](O)[C@@H](O)CCCCCC=C(Br)Br 2356720410 ZFXQBFPZXYPLPE-NWDGAFQWSA-N 414.134 3.711 0 1 HHAF CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1 12196401 RSRQXZAPJUVSAR-QGZVFWFLSA-N 423.469 3.750 0 3 HHAF COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 2873988 RDFKDNSSRAWNSH-PDGQHHTCSA-N 412.511 3.505 0 1 HHAF O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1 5139846 RMHLYODVQGTMOO-VXKWHMMOSA-N 405.498 3.619 0 1 HHAF CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)OC1(C)C 5712048 BNSRVXDDPIAAQG-SFTDATJTSA-N 408.406 3.794 0 1 HHAF biogenic O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cccc(F)c1F 12192616 HHKXJDFBTDAIPS-OAQYLSRUSA-N 406.860 3.906 0 1 HHAF CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@@H](NC(=O)c1ccccc1)C(C)C 14856639 YYJRAGPDSYXARF-VLCRHTCISA-N 424.541 3.829 0 1 HHAF biogenic CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O 38628570 LSLQFUYTMXHXKN-WNSKOXEYSA-N 408.452 3.614 0 1 HHAF CC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S@](C)=O 43065348 GDZNYEZGJAFIKA-XMMPIXPASA-N 400.209 3.720 0 1 HHAF in-vitro CC(C)n1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82204851 JTGPFQJZHXJSLD-SFHVURJKSA-N 412.534 3.673 0 1 HHAF COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2Cl)C3)cc1 84651963 JRYJSKZSQZTOIH-UHFFFAOYSA-N 414.933 3.852 0 1 HHAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ncccn2)cc1Cl 95556450 MKVFCBDKNSJPPZ-OAHLLOKOSA-N 407.923 3.836 0 1 HHAF COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccncc1)[C@@H](CO)N2 95667431 OUTZMAHCKUUXMK-KWOQKUFVSA-N 415.493 3.747 0 1 HHAF Cn1ncc2c(-c3cccn4nc(Nc5ccc6c(c5)CCNCC6)nc34)cccc21 96169803 BNGJPICGPJTHCP-UHFFFAOYSA-N 409.497 3.715 0 1 HHAF CC(C)N(C(=O)Cc1cn(CNc2ccnc3cc(Cl)ccc23)nn1)C(C)C 96934965 IAXQLWVNBZVTDJ-UHFFFAOYSA-N 400.914 3.737 0 1 HHAF CCn1cc(-c2cc3c(-c4cccc(N[C@H]5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1 205262923 BSOSQKZSTMNSEC-CVEARBPZSA-N 402.506 3.585 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 207145604 DLTRMWBUJAPXDT-UHFFFAOYSA-N 404.319 3.565 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nncn4c3)c2cn1)c1ccc(F)cc1 219757754 RVGKINQBUXWWND-GFCCVEGCSA-N 416.420 3.689 0 1 HHAF COc1cc(F)ccc1-c1nncc2cc(S(=O)(=O)Nc3nccs3)ccc12 225062866 MUDABRBFAQPGLH-UHFFFAOYSA-N 416.459 3.702 0 1 HHAF COc1ccc2cc(-c3cn(CCCN4C(=O)COc5ccccc54)nn3)ccc2c1 299828613 QUKLREYYLKLBNN-UHFFFAOYSA-N 414.465 3.923 0 1 HHAF COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cn1 586954669 HEDREUYNVQCJPD-UHFFFAOYSA-N 414.531 3.658 0 1 HHAF N[C@H](N=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586999247 WSTRVCZVUIPGIY-NKEDHYFDSA-N 401.220 3.948 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(F)c(N)c4)[nH]c3c2)cc1 587141035 VBPBQLXOHJONMY-UHFFFAOYSA-N 412.446 3.761 0 1 HHAF O=C1c2ccccc2N/C(=C\N2CCOCC2)N1Cc1cc2c3c(cccc3n1)CC2 587212257 MIJHEYABGWTDHJ-XQNSMLJCSA-N 412.493 3.532 0 1 HHAF O=C(O)C[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347156 ANCVGMQTOAOCOQ-JTHBVZDNSA-N 408.381 3.966 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Br)cc1)[C@@H](C2)C3=O 587418283 OIWUZAYFBLXMFJ-MGPUTAFESA-N 416.271 3.993 0 1 HHAF CCn1ccc(C(=O)Oc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)n1 587432751 RAYPTUJJBWMWHJ-VGOFRKELSA-N 404.422 3.620 0 1 HHAF CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 587554425 XIWAWEWOIAQLFU-PGRDOPGGSA-N 407.809 3.879 0 1 HHAF CN1CCN(c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 587593534 KDHVLRKKPAHTAC-DHLKQENFSA-N 416.477 3.847 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccccc12 587843974 VKAQVMBWENHFMU-OVWNDWIMSA-N 404.235 3.727 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=NCc2cnn(C(C)(C)C)c2N1 587870186 XTQZUDRFDTZEMG-UHFFFAOYSA-N 419.411 3.754 0 1 HHAF CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@@](C)(O)c1ccc(Cl)cc1 653729226 KNLKBQBHYPJRTH-DENIHFKCSA-N 400.906 3.661 0 1 HHAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(C=C(Br)CCC2)N1 962622161 BBCFJOCUWCWYMI-DZGCQCFKSA-N 406.198 3.842 0 1 HHAF OC(O)(C1=COc2ccccc2[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12)C(F)(F)F 963108362 OUAHAWCZQIOUOZ-YWZLYKJASA-N 421.390 3.609 0 1 HHAF Cc1cn(C[C@H]2CCCN(Cc3cccc(Oc4ccccc4)c3)C2)c(=O)nc1O 1772599447 BRLFHTSNNBSJQI-FQEVSTJZSA-N 405.498 3.962 0 1 HHAF Cc1nc2c(N3CCOCC3)nccn2c1NCc1ccc(-c2ccncc2)cc1 1772631975 TUUVLAPBTJGKRD-UHFFFAOYSA-N 400.486 3.548 0 1 HHAF COc1ccc2c(c1)c(C1CCNCC1)cn2S(=O)(=O)c1cncc2ccccc12 1857547439 BVIMNHLNDXRATR-UHFFFAOYSA-N 421.522 3.902 0 1 HHAF Cc1ccc2oc(=O)c(C(=O)Nc3c(C(=O)O)cnn3-c3ccc(Cl)cc3)cc2c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c2ccccc2F)Sc2ccc(C(=O)NC[C@H]3CCCO3)cc21 4932105 JLEIUWDADZVDCT-SDLDRHLBSA-N 412.486 3.844 0 3 HHAF O=C(c1ccncc1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 61969727 QXWAOPXXBNRISE-HXUWFJFHSA-N 418.463 3.527 0 3 HHAF CCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 2459436 FLEAULQKEWOTOD-MOPGFXCFSA-N 402.516 3.544 0 1 HHAF O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 13586757 DFZNXCBJEKLXMV-OAHLLOKOSA-N 407.297 3.655 0 1 HHAF CCC(CC)C(=O)/N=c1/c2cnn(-c3ccccc3)c2nc(O)n1-c1ccccc1 18178561 JLJGEOUEWXFKKV-QQTULTPQSA-N 401.470 3.780 0 1 HHAF CN(C)S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1 28768790 FEXGKMNZRBMJMB-UHFFFAOYSA-N 413.396 3.948 0 1 HHAF O=P(O)(O)[C@H](CCCc1cccc(Oc2ccc(Cl)cc2)c1)S(=O)(=O)O 40899485 WFRSZISILHXWHG-INIZCTEOSA-N 420.807 3.847 0 1 HHAF O=C(c1ccncc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877884 OYARCXHZSFONHV-WTIAFYNJSA-N 403.457 3.878 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)[C@@H](O)C2 100640568 NFAGEMWHQMZYBN-KPDCDPCYSA-N 419.562 3.703 0 1 HHAF COc1ccc(C(=O)N2C[C@H]3CN(c4cc(C)c5ccccc5n4)C[C@@H]3C2)c(OC)c1 116823658 CJWVZDYTCRDBKW-QZTJIDSGSA-N 417.509 3.769 0 1 HHAF CN(C)C(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140133100 MLGMIVULFLSXQO-UHFFFAOYSA-N 409.493 3.997 0 1 HHAF Nc1cc(F)c(-c2ccncc2F)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1 140190574 NIGKYNBXMPAUEZ-OLZOCXBDSA-N 424.455 3.636 0 1 HHAF N#Cc1c[nH]c(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCCCC2)n1 145729086 RAZJIMXQXCSBHB-UHFFFAOYSA-N 420.469 3.624 0 1 HHAF C[C@H](Oc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1)C1CC1 205102904 PIBBGQXUWFPWDI-AWEZNQCLSA-N 400.482 3.856 0 1 HHAF CCN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1 205735619 QCVCXMSOBNEFFK-UHFFFAOYSA-N 413.426 3.936 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OC(C)C)c3Cl)C2)cc1 261095925 FJPANYCAIROVCM-KBXCAEBGSA-N 418.925 3.772 0 1 HHAF COC[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 261176303 UXQLDMRJUFRORS-IBGZPJMESA-N 402.458 3.838 0 1 HHAF COC(=O)c1ccc(Oc2ccc3nc(CSc4nc(O)cc(O)n4)[nH]c3c2)cc1 586966785 NBVNWTTWWBRKSF-UHFFFAOYSA-N 424.438 3.635 0 1 HHAF N[C@H](N=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586999248 WSTRVCZVUIPGIY-POKLJVKSSA-N 401.220 3.948 0 1 HHAF COC(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1OC 587020369 PSNSEHYNAKBFQG-UHFFFAOYSA-N 418.475 3.752 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587139150 XZTHNZVOEGMQHH-UHFFFAOYSA-N 411.449 3.844 0 1 HHAF C[C@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332358 DLJNLAJQSZYUKI-FYYLOGMGSA-N 409.413 3.948 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587452220 JVLJBSQNGRCYMQ-DFIYOIEZSA-N 416.429 3.926 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587490053 QENITKXIELWYKN-DTKQMDLBSA-N 400.471 3.775 0 1 HHAF C[C@@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590914 DENQWWNJMFTSHL-QPPBQGQZSA-N 418.449 3.501 0 1 HHAF CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703922 HNTAOUFYNXMDEP-FMCKTDMXSA-N 416.184 3.781 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O 587797515 VTFVTJDOAFYDPX-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF CCOC(=O)CCC[C@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962896135 AHUKXQOISXBNEP-PGRDOPGGSA-N 421.415 3.680 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCc3nc(Cl)sc3C2)N1 962975762 YLIJEUYUCQFNLB-QLJPJBMISA-N 405.253 3.711 0 1 HHAF COC(=O)c1cccc(-c2cccc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)n2)c1 963026765 KGXUYCZLSIYJKW-OSPHWJPCSA-N 413.477 3.678 0 1 HHAF COc1cccc(C(=O)C[C@]2(C(F)(F)Cl)NCCc3c(C(=O)O)cccc32)c1 963118274 BFCCZFMFWIBSEE-IBGZPJMESA-N 409.816 3.839 0 1 HHAF CC[C@@]1(C2(C(=O)OC)CCC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182831 POPUICACBZBLPI-RDTXWAMCSA-N 419.827 3.906 0 1 HHAF Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CC(=O)OCc1ccccc1 1857590586 GKIJTQYQWYHMBE-UHFFFAOYSA-N 407.857 3.868 0 1 HHAF CC(C)CNC(=O)[C@H](C)OC1=CC2=C3C=CNc4c3n(c(=O)c3ccccc43)[C]2C=C1 2356871712 QZONNHUYWUBZAY-HNNXBMFYSA-N 414.485 3.719 0 1 HHAF CCCCCNC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 95604809 ZQXLMXRFMLUOGX-QFIPXVFZSA-N 416.481 3.947 0 3 HHAF O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccccc21 590694 ZJGVTBCFAZUUBP-UHFFFAOYSA-N 418.428 3.976 0 1 HHAF CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2Cl)C1 13442690 RVQDUVSRXQVRFM-UHFFFAOYSA-N 402.903 3.886 0 1 HHAF C[C@H]1CC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](N3CCCCC3)[C@@H]12 27099218 SYPNOGGRCOHUCT-XRMBBJOXSA-N 416.606 3.510 0 1 HHAF O=C(Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccccn1 29399198 UGRYLNPFRAPSNH-UHFFFAOYSA-N 420.266 3.969 0 1 HHAF O=C(Nc1cc(Br)ccc1N1CCNCC1)c1ccc2ccccc2n1 34803845 OIROQWCVWZKKQT-UHFFFAOYSA-N 411.303 3.659 0 1 HHAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCOC2)cn1 40584773 YXZBSKLZCVBSNQ-QHCPKHFHSA-N 408.454 3.700 0 1 HHAF N[C@H](COc1cncc(-c2ccc3[nH]nc(C=O)c3c2)c1)Cc1c[nH]c2ccccc12 45288008 ATOXLTMLIQMPDW-SFHVURJKSA-N 411.465 3.868 0 1 HHAF CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2Cl)c1 45506564 AKSBTBLEMBOTBP-MAUKXSAKSA-N 415.921 3.851 0 1 HHAF CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 49054579 MBHKGHDNJWASRA-ZVDOUQERSA-N 424.589 3.545 0 1 HHAF COc1ccc(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)c(OC)c1 82195739 MHIGDKKBACRNOC-UHFFFAOYSA-N 421.563 3.951 0 1 HHAF O=c1ccoc2cc(OCc3cn(Cc4cccc(Br)c4)nn3)ccc12 84670893 PTZIIDVOPJMBEC-UHFFFAOYSA-N 412.243 3.774 0 1 HHAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(c1ccccc1)C(=O)N2c1ccccc1 143104074 PDTUOUCUVIKQME-INIZCTEOSA-N 401.470 3.906 0 1 HHAF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@@H]1O 263608671 UFRYXHSGDCMKGK-FUMNGEBKSA-N 413.297 3.828 0 1 HHAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cnnc(O)c4[nH]3)c(Cl)cc12 587078578 WJASSXITBFUSID-VIFPVBQESA-N 400.822 3.911 0 1 HHAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)cnc4[nH]3)o2)c1 587158555 ZZEMBAPARAXSFD-UHFFFAOYSA-N 406.190 3.834 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587228019 DOFOVMPQIHCKNQ-UHFFFAOYSA-N 408.792 3.993 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(CN3C(=O)c4ccccc4C3=O)CC1)O2 587392683 VLTXUVUGLZZDJI-UHFFFAOYSA-N 404.466 3.768 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(CCC(=O)c1cccs1)[C@@H](C2)C3=O 587449125 FFQVKZZSWQQWEE-LHSJRXKWSA-N 400.452 3.771 0 1 HHAF CC(C)(C)OC(=O)N1C[C@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587516892 GBBIEZJYZKITLV-SBUREZEXSA-N 415.486 3.754 0 1 HHAF COc1ccc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC 587581864 XMGBGZZOXVUPTL-CVDCTZTESA-N 407.422 3.869 0 1 HHAF COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587596847 PMTRYWCOTQQQHI-OFNKIYASSA-N 408.406 3.826 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2Cc3ccccc3C2=O)N1 587776541 XGFUQTZBWNBWTD-ODXCJYRJSA-N 403.295 3.994 0 1 HHAF COC(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587806671 KPPKZTXAYYSGQU-MPBGBICISA-N 422.294 3.938 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587808637 OUPLKEIZYHSBEU-SLIIYKDFSA-N 404.279 3.831 0 1 HHAF COc1ccc(C[C@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC 587926663 MWUJTUIEILTGTL-AWEZNQCLSA-N 406.486 3.682 0 1 HHAF COc1cccc([C@]2(c3c(OC)cccc3OC)NCCc3cc(C)c(F)cc32)n1 962148765 UVAFVYQFWHMTKC-XMMPIXPASA-N 408.473 3.993 0 1 HHAF CC(C)Nc1nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3CCCN(C)C3)CC2)c2ccccc2n1 1772628509 AZAPVPMFHPBOQQ-GUDVDZBRSA-N 424.593 3.631 0 1 HHAF O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)N1CCCCCC1 1857542603 VYPFVNFYECMSGP-UHFFFAOYSA-N 403.523 3.921 0 1 HHAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)NC(=O)N1CCCC(=O)O 8680144 XNKVRXVTIXOUKA-LJQANCHMSA-N 414.483 3.697 0 3 HHAF CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 776790 WQCQRBRMTHGJHB-CTNGQTDRSA-N 414.546 3.942 0 1 HHAF CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCc1c[nH]c2ccccc12 2113133 GKOYFQGZTYMOAY-SIKLNZKXSA-N 405.523 3.875 0 1 HHAF biogenic CCCCN(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 4971240 IITYYCJLORYTMN-XZOQPEGZSA-N 422.525 3.799 0 1 HHAF Cc1cccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1C 4977849 PQBLVODFEIOMIT-IXTNQLDESA-N 417.505 3.851 0 1 HHAF COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 5070882 PKWQQGZFQZKYSO-IRLDBZIGSA-N 424.541 3.996 0 1 HHAF CCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682619 UMKNCERWDMGXJQ-UHFFFAOYSA-N 414.346 3.667 0 1 HHAF CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@@H]32 31897539 GZTRBGOKFUFZBR-WHUMVWBPSA-N 416.514 3.657 0 1 HHAF Cc1nc2nc(C(=O)N3CCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN 35826768 BULFOJDUFCMBCV-UHFFFAOYSA-N 404.301 3.706 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccc(F)cc2)cc1 36160097 ZSPAEDJDADQTKU-FCHUYYIVSA-N 413.489 3.831 0 1 HHAF CC(=O)NCCn1c(-c2ccsc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188244 ABONMMHUXFMBGL-OAHLLOKOSA-N 420.542 3.907 0 1 HHAF Clc1ccc([C@H](NCCNc2ccnc3cc(Cl)ccc23)c2nnn[nH]2)cc1 103230545 TYFAUNCBRXSZBQ-SFHVURJKSA-N 414.300 3.846 0 1 HHAF COC(=O)Nc1nc2ccc([C@@]3(O)c4ccccc4C(=O)N3C3CCCCC3)cc2[nH]1 136833945 KGRMJELEXWBRNA-HSZRJFAPSA-N 420.469 3.723 0 1 HHAF COC(=O)CNC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 144786703 IIIBYQHUCFDUQL-LJQANCHMSA-N 408.542 3.602 0 1 HHAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(N4CCCNCC4)n3)c2c1 150109653 RWNSOGBUKTYZJZ-UHFFFAOYSA-N 406.440 3.765 0 1 HHAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195398140 AGOMZXFWATVFOH-BXWFABGCSA-N 407.520 3.515 0 1 HHAF CC1(C)C[C@@H]1C(=O)N1CCc2ncsc2[C@@H]1c1cc(Cl)ccc1OCC(=O)O 206935071 RMTCJZVBTRZXHG-DYVFJYSZSA-N 420.918 3.780 0 1 HHAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(NC(C)C)n2)n1 223423753 VEEGVDQMJQHICI-HOTGVXAUSA-N 402.506 3.652 0 1 HHAF CN1CCC(c2cc3c(-c4cccc(NC[C@H]5CCN(C)C5)n4)ccnc3[nH]2)CC1 226089695 DPQKVYICRPBZMP-QGZVFWFLSA-N 404.562 3.798 0 1 HHAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@@H]1c1ccc2c(c1)OCCO2 299833874 AIORHDXVRJHMHR-CQSZACIVSA-N 412.389 3.512 0 1 HHAF COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O 299837077 PHIBSMYTSFICFG-UHFFFAOYSA-N 401.426 3.922 0 1 HHAF COC(=O)c1ccc(Oc2ccc3nc(CNC(=O)c4cscn4)[nH]c3c2)cc1 587028111 KYYULMZBBCGPBM-UHFFFAOYSA-N 408.439 3.528 0 1 HHAF O=C(N[C@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587202180 GIJNWIPONLFJOM-CQSZACIVSA-N 408.241 3.792 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)N1CCC(C(=O)OCC)CC1)CC2=O 587474336 GPGOHXNHKZYPPN-HXUWFJFHSA-N 403.519 3.732 0 1 HHAF C[C@@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611138 FNHLUDHCEWBICM-AVRDEDQJSA-N 406.463 3.925 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccncc3)c(=O)c3ccccc23)c(O)c1 587664140 AZILSHBDGKPSKY-UHFFFAOYSA-N 414.465 3.699 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCCc3[nH]c4cccnc4c32)N1 962983701 ZCRBDYIEQQAFIW-JLTOFOAXSA-N 403.816 3.673 0 1 HHAF CCOC(=O)CC[C@]1(c2cc(C)cc(C)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030570 NXJOYZOYGVNVMN-IQGLISFBSA-N 406.526 3.944 0 1 HHAF COc1ccc(-c2cncc3ncn(-c4cc(OC)c(OC)c(OC)c4)c23)cc1O 1857554944 YGKOYQCBYKCDEI-UHFFFAOYSA-N 407.426 3.828 0 1 HHAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@@H]5c4ccc(F)c(F)c4)(C2)C3)cn1 1857561637 HZFPQLYGOZJEDT-NYYVNYEXSA-N 410.472 3.543 0 1 HHAF Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2[nH]c(C3CC3)nc2c1 1857576237 ORMGNASINOSAFB-UHFFFAOYSA-N 400.504 3.933 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1ccc(Cl)cc1 72139599 FZLKOFCRAILOAF-IBGZPJMESA-N 405.903 3.884 0 3 HHAF O=C(NCCc1ccccc1)OCc1cn(Cc2cccc(C(F)(F)F)c2)nn1 203462713 VWIJVDVDABHRTB-UHFFFAOYSA-N 404.392 3.814 0 3 HHAF COc1c(Br)cc2cc1Oc1ccc(cc1)C[C@@H](O)COC(=O)CC2 26748662 BILREOZCVCVBSU-CQSZACIVSA-N 407.260 3.643 0 1 HHAF CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccc2)n(CC(C)C)c1=O 26844373 YWXNLVHKVCCOGG-UHFFFAOYSA-N 423.561 3.829 0 1 HHAF O=C1C[C@@]2(CC[C@@](O)(c3ccco3)[C@@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 31871013 QOIBTJCCEGZCMA-XRJVTAMDSA-N 419.433 3.955 0 1 HHAF Cc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2 40936395 KPTLLDAXZGPLSV-IBGZPJMESA-N 420.513 3.515 0 1 HHAF COc1ccc(CNC(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1 40955258 AZMAXBLMFRAXJU-UHFFFAOYSA-N 416.525 3.527 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21 45349914 NKESGRXRDZCMNV-UHFFFAOYSA-N 406.417 3.601 0 1 HHAF O=C(NCCS(=O)(=O)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl 49803359 WNKYZFISAOGKPP-UHFFFAOYSA-N 406.718 3.992 0 1 HHAF CCCCOc1ccc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C(=O)O)ccc2c1 72112654 LXWVSICUFJXLCV-WOJBJXKFSA-N 405.516 3.940 0 1 HHAF COc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC(=O)c1cc(OC)c(OC)cc1-2 84604640 LPGISHJNGNRNBR-OAHLLOKOSA-N 409.360 3.685 0 1 HHAF COc1ccc(Cn2cc(C(=O)N3CCCCC3)c(=O)c3c(F)ccc(F)c32)cc1 96906818 BPWPFYRLIBOWFV-UHFFFAOYSA-N 412.436 3.963 0 1 HHAF C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)CCSC(N)=N1 141493347 FSIYTVBWWROBPT-KRWDZBQOSA-N 405.321 3.763 0 1 HHAF Cc1ccc(Oc2ccc3c(O)c(C(=O)NCC(C)(C)C(=O)O)nc(C#N)c3c2)cc1 146675207 UPCTVPDBBQWTLO-UHFFFAOYSA-N 419.437 3.753 0 1 HHAF CC(C)CS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224793609 ISFLCNPYHCLJGS-UHFFFAOYSA-N 414.506 3.954 0 1 HHAF Cc1ncc(-c2ccc3[nH]nc(-c4cc(N5C[C@H](C)O[C@H](C)C5)ncn4)c3c2)nc1C 225566346 BIRPOLJSNIWIAZ-OKILXGFUSA-N 415.501 3.707 0 1 HHAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCOc5ccccc54)ncc23)ccn1 261177869 VHJVQWYJIDRTPJ-QGZVFWFLSA-N 400.442 3.974 0 1 HHAF COc1ccccc1[C@]12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 299820102 DRLZJOUBIYQHIK-DEOSSOPVSA-N 420.415 3.786 0 1 HHAF CCOC(=O)/C(=C/N(C)C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586987373 DZPLOBHQQZILTL-FOWTUZBSSA-N 402.450 3.926 0 1 HHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(I)cc2[nH]1 587052562 VMFNSCOCMPXKGN-LLVKDONJSA-N 413.646 3.769 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1OC)[C@@H](C2)C3=O 587422727 ZHLLFUHJBSEDSX-LHSJRXKWSA-N 401.846 3.892 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3ccc(OC)cc3)nn1)CC2=O 587479528 UGPDDXUGSBAJTM-HSZRJFAPSA-N 407.470 3.874 0 1 HHAF CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C1 587581833 JFAHCGQAPYYQQM-JBUDQFAYSA-N 411.498 3.861 0 1 HHAF COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 587588397 QIIJLRUPEMYLTH-OFNKIYASSA-N 421.405 3.518 0 1 HHAF CN1CCN(c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 587593536 KDHVLRKKPAHTAC-RDGATRHJSA-N 416.477 3.847 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC 587772447 VLIFNFKHZZGEHG-JDNHERCYSA-N 411.271 3.633 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2c1 587785359 NOMFJHGXGSUBOK-UHFFFAOYSA-N 421.247 3.892 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587830973 GPJKQJSKYPCOIE-NCDWJDPGSA-N 408.267 3.504 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN[C@H](C)c1ccccc1 587867470 FMALUATUHAAZBG-CYBMUJFWSA-N 404.392 3.964 0 1 HHAF O=C(c1ccc(CN2CCN3CCC[C@H]3C2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587876213 PRSACVWOKXRENK-IBGZPJMESA-N 418.472 3.763 0 1 HHAF COc1cc2c(cc1OC)[C@@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)N(C)[C@H](C)C2 962563368 FZEIVMGONKWGSW-ZTQAJYAQSA-N 420.550 3.993 0 1 HHAF CCOC(=O)CC[C@]1(c2cccc(OCC)c2)c2ccsc2CCN1C(N)=O 962701964 KXVIIIBLYOBPSP-NRFANRHFSA-N 402.516 3.671 0 1 HHAF C[C@@H]1C2(CCCC2)NCC[C@@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963152405 UXMDLMHIMWVIAV-VWLHBSKXSA-N 421.563 3.527 0 1 HHAF C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177404 IMUCYVQYIXVOSV-KPZWWZAWSA-N 413.779 3.950 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cnc(C(=O)OCC)c(C(=O)OC)c1 963232514 SSLLOPPHSPVAFW-UPCLLVRISA-N 410.514 3.965 0 1 HHAF Cc1cc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)no1 1772595582 AIHLALPAPQQMMF-UHFFFAOYSA-N 424.545 3.896 0 1 HHAF COc1cc(CCn2cnc3ccc(-c4c(C)noc4C)cc3c2=O)cc(OC)c1 1857539868 QSZLXPUMGIIDPD-UHFFFAOYSA-N 405.454 3.928 0 1 HHAF CCOC(=O)c1cccc(Nc2ncnc3c2CN(c2cnc(OC)c(C)c2)CC3)c1 1857603109 TVFSZIXTKGVBDL-UHFFFAOYSA-N 419.485 3.672 0 1 HHAF Cc1ccc(C)n1CCC(=O)NCC[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 2356493271 MZPRXARMMDHMTF-MOPGFXCFSA-N 422.566 3.643 0 1 HHAF COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@@H]1C(=O)O2)C=CC(C)(C)O4 2356724899 COZQSMYTHMTDIR-RXVVDRJESA-N 408.406 3.535 0 1 HHAF Cc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1 61944529 MMAGAWGNOCQTNT-UHFFFAOYSA-N 401.470 3.569 0 3 HHAF CSCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 12048957 GAOANGUSOWBYAJ-UHFFFAOYSA-N 407.927 3.707 0 1 HHAF S=C(NCCC1CCN(C[C@H]2COc3ccccc3O2)CC1)Nc1ccccc1 13813679 YUZZRQPWYLSRIR-FQEVSTJZSA-N 411.571 3.915 0 1 HHAF Cc1nc(N2CCCCC2)c2[nH]c(CS(=O)(=O)c3ccc(Cl)cc3)cc2n1 13834982 MHFMOQHHTOLRGZ-UHFFFAOYSA-N 404.923 3.884 0 1 HHAF COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)c1 13835817 LRYVHUGMUSRZRA-SANMLTNESA-N 422.569 3.854 0 1 HHAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(Cl)cc21 22941231 YWWSNUCDECZHPM-UHFFFAOYSA-N 404.341 3.700 0 1 HHAF O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1 29054873 ZAQILESACFCOBN-UHFFFAOYSA-N 405.425 3.971 0 1 HHAF COc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459622 LNZYZAVDMUOOBN-LJQANCHMSA-N 413.524 3.760 0 1 HHAF COc1cc2nc(N3CCC(O)CC3)nc(NCCCc3ccccc3)c2cc1OC 82131333 PEMAJROIEBTPRA-UHFFFAOYSA-N 422.529 3.653 0 1 HHAF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cc(OC)c(OC)c(OC)c1 82144550 MLKVQEKNYCYYLR-ZIAGYGMSSA-N 416.522 3.908 0 1 HHAF Cn1cnnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12 84709938 XAVXRMMYQLWKCY-UHFFFAOYSA-N 424.508 3.575 0 1 HHAF NC(=O)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1 96270432 BCZQEXKZJLTOFI-UHFFFAOYSA-N 418.251 3.984 0 1 HHAF CC(C)C[C@H]1C(=O)N[C@@H](C(C)(C)C)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103265370 CWTWKQWRIOBNIY-PKOBYXMFSA-N 401.482 3.882 0 1 HHAF Cc1nc(Cn2nc3ccc(-c4ccc(Oc5ccc(F)cc5)cc4)cn3c2=O)no1 113399293 FVWAVLHWMKAFBA-UHFFFAOYSA-N 417.400 3.834 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC[C@@H]1CC(C)(C)N([O])C1(C)C)O2 205778490 IOEUCWATYILOFJ-HJPURHCSSA-N 403.543 3.742 0 1 HHAF O=C(OCc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(Oc3ccccc3)cc12 377839381 LSAWJFPEWWVQHF-UHFFFAOYSA-O 419.442 3.941 0 1 HHAF COC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1OC 586994758 BFNZVKAAJORTQZ-UHFFFAOYSA-N 404.264 3.775 0 1 HHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2nc(Br)c[nH]c-2n1 587168176 ULRFLEHSMZDUGI-LLVKDONJSA-N 405.231 3.575 0 1 HHAF C[C@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336380 NIWLVNCUZQEOSZ-ISKFKSNPSA-N 421.424 3.670 0 1 HHAF CCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 587372198 OLQMEORISQZTIM-HXUWFJFHSA-N 415.287 3.957 0 1 HHAF CCn1ncc(-c2cc(C(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)c1C 587651383 ILCTZBFLJCFDQC-UHFFFAOYSA-N 416.819 3.959 0 1 HHAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC 587747545 LYFIQAHVADUOBJ-APBUJDDRSA-N 409.299 3.985 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 587827671 LZLGXBCNAISXBX-WLRWDXFRSA-N 406.251 3.675 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(Cl)ncnc3Cl)N12 962672169 SQZGTWRWHIQOPU-IFXJQAMLSA-N 403.269 3.520 0 1 HHAF O=C1CC[C@@]2(N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc2N1 963190901 YCOGFFIYEACPRH-VQIMIIECSA-N 424.806 3.934 0 1 HHAF CCCNC(=O)C1CCN(C(=O)c2cc3occc3n2Cc2ccc(OC)cc2)CC1 1772607481 OCOYYHCGEUEUKT-UHFFFAOYSA-N 423.513 3.670 0 1 HHAF CC(=O)OC[C@]1(C(=O)O)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C 2356408630 LHKQQWKOWNPPSN-GRUNAHJYSA-N 418.530 3.815 0 1 HHAF COc1cc(C(=O)OC[C@H](C)[C@@H]2CC[C@]3(C)C[C@@H](O)[C@@]4(C)CC[C@@]23O4)ccc1O 2356619212 XHMSSIXKMBPWCK-QLIHLOKSSA-N 404.503 3.683 0 1 HHAF Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNCc2ccccn2)n1 2356874950 ZXHSRBANEOTCCE-IHPCNDPISA-N 405.571 3.876 0 1 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 770277 MGTPSJHVEXCIRP-GMAHTHKFSA-N 421.472 3.935 0 1 HHAF Cc1c(CCC(=O)N2CCC[C@@H]2C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2099266 AUXASDNAGLTQIL-GOSISDBHSA-N 423.465 3.735 0 1 HHAF biogenic Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCC[C@@H]4C(=O)O)c(C)c3cc2c1C 2099372 HAQDGIUSJWXJOO-GOSISDBHSA-N 411.454 3.781 0 1 HHAF biogenic O=C(Nc1cccc2c1C[C@@H](O)[C@H](N1CCC(c3ccccc3)CC1)C2)C(F)(F)F 28234213 VQKOGRBVBGYRKT-NHCUHLMSSA-N 418.459 3.895 0 1 HHAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(=O)NC3CC3)cc2)S1)c1ccc(F)cc1 40848109 VSKLTPJPTOYPER-XMHCIUCPSA-N 411.502 3.913 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2C)s1 82177444 CJJONUYKAZQKJF-HNNXBMFYSA-N 407.543 3.840 0 1 HHAF O=C(CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1)C[C@H](O)CCCO 85597495 GGHLNYHLROWDOY-OAQYLSRUSA-N 424.493 3.855 0 1 HHAF biogenic,in-vitro O=S(=O)(c1ccc(-c2cc([C@@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)cc1)C(F)(F)F 101556240 XADIAGJQJVHXBU-NOLJZWGESA-N 400.397 3.789 0 1 HHAF O=Nc1c([C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccc(-c3nnn[nH]3)cc12 169729494 IXRJKNXPONACSK-GFCCVEGCSA-N 413.319 3.849 0 1 HHAF C[C@H](NS(C)(=O)=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 204666447 QCSRVODTOZIYRM-NSHDSACASA-N 414.508 3.726 0 1 HHAF CC(=O)N1CCc2c(c(-c3ccc(F)c(C#N)c3)nn2Cc2ccc(F)cc2F)C1 204895373 HBGSPJWCRQEUFN-UHFFFAOYSA-N 410.399 3.792 0 1 HHAF CCNC(=O)Nc1nc2cc(-c3ccc(C(C)(C)O)nc3)cc([C@H]3CCCO3)c2[nH]1 299819584 AQXZEUSQHBAHDL-QGZVFWFLSA-N 409.490 3.845 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)nc2[nH]1 586971940 BUYNJBZTPPSZCJ-CQSZACIVSA-N 405.321 3.831 0 1 HHAF O=C(NCc1nc2c(Br)cnc(Cl)c2[nH]1)c1cc2c(s1)CCC2 587034254 GFRLSGNIMKFUBU-UHFFFAOYSA-N 411.712 3.854 0 1 HHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587069983 NOUBABBEQUKIHZ-LBPRGKRZSA-N 405.907 3.843 0 1 HHAF N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1F 587144301 LGTYYCDGQPMRMK-CYBMUJFWSA-N 406.255 3.868 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(Cl)cc12 587569702 IVUYGWPYLCOVEO-UWJYYQICSA-N 411.772 3.994 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 587720483 RVQLJRMAIJAYKM-HUTHGQBESA-N 416.287 3.754 0 1 HHAF O=C(NCC1COC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772605916 HTCMWJYLISNOQQ-UHFFFAOYSA-N 403.360 3.817 0 1 HHAF N=c1[nH]c2cc(-c3ccccc3)cc(-c3cccc(N)c3)c2c(=O)n1C[C@@H]1CCCO1 1857756592 VEWFKNUERSAOIS-FQEVSTJZSA-N 412.493 3.904 0 1 HHAF C=C1C2=C(Cc3occc31)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@@]1(O)C[C@@H]2OC(C)=O 2356672713 VBLHHNLILNJNIZ-TYJFDUFHSA-N 414.498 3.970 0 1 HHAF CCCCNC(=O)[C@]1(C)CCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 61895613 TZMFSDBGZPKMDM-DEOSSOPVSA-N 412.530 3.906 0 3 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCc2ccccc2)O3)c1 61902941 DXAIOAJHVGPTNO-VWLOTQADSA-N 415.493 3.760 0 3 HHAF CC(C)(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 95605373 NLPMRGMMJNYDOU-HXUWFJFHSA-N 400.486 3.697 0 3 HHAF O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)[C@@H](N1CCCC1)S2 3006177 NASCEZCOTDWICI-FQEVSTJZSA-N 401.919 3.736 0 1 HHAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049314 NEAVIXCFIBOSNW-GMVOTWDCSA-N 403.885 3.637 0 1 HHAF CC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O 5833532 XAPZYJFLCOBOIV-YPMHNXCESA-N 408.227 3.569 0 1 HHAF CC(C)c1ccc(O[C@](C)(Cc2ccc(Cl)cc2)C(=O)NS(C)(=O)=O)cc1 13604870 JASWYWUWIJWMPK-HXUWFJFHSA-N 409.935 3.919 0 1 HHAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(S(=O)(=O)c1ccc(C)cc1)CC2 13817505 YLSAXQHLNORWTO-KRWDZBQOSA-N 414.571 3.941 0 1 HHAF O=C(O)C(=O)CC(=O)[C@@]1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 13906001 HIBNJLSGEFHEKC-HSZRJFAPSA-N 413.901 3.778 0 1 HHAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 20215836 KTKXJIOEMUUUNR-UHFFFAOYSA-N 419.890 3.676 0 1 HHAF CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O 26165907 PLVZHSOTHXAZMF-OLKWKJITSA-N 400.581 3.817 0 1 HHAF COc1ccc2[nH]c([S@](=O)Cc3nc4cc(OC)ccc4n4cccc34)nc2c1 28638915 YEVIYWMKRBWPAL-LJAQVGFWSA-N 406.467 3.689 0 1 HHAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cnc4ccccc4c3)sc12 64573155 YZRGBLHMCIVFAS-HNNXBMFYSA-N 403.511 3.774 0 1 HHAF C[S@](=O)c1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 66102140 NQXKIOZJPCCROR-RBISFHTESA-N 411.910 3.927 0 1 HHAF Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2C(=O)N2CCOCC2)c1 82145251 DDARIEZWUMGAOS-UHFFFAOYSA-N 420.488 3.718 0 1 HHAF CN(CCCN1CCCCC1)c1cccc(C(=O)N2CCc3ccc(O)cc3C2)c1 103301251 WEJUVADAKXZQRK-UHFFFAOYSA-N 407.558 3.903 0 1 HHAF CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(Cl)c(C)c4)C3)n2)c1 118579888 PVWWOYQRKOGNMU-UHFFFAOYSA-N 423.904 3.809 0 1 HHAF O=C(NCCN1CCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 142565246 GUTHKSISTVGJSD-UHFFFAOYSA-N 403.486 3.838 0 1 HHAF O=C1Nc2ccc(Br)cc2[C@@]1(O)c1c[nH]c2ccc(Br)cc12 146727534 KCELEMHWHLVIML-MRXNPFEDSA-N 422.076 3.881 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@@H]2CC[C@H]1N2C 169366286 ABXUYGWOEIXKBD-SXWCDZENSA-N 411.283 3.832 0 1 HHAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C/c4ccncc4)c3)c12 218978840 BVDRWDGBMLUYEF-VOTSOKGWSA-N 413.437 3.849 0 1 HHAF Cc1c(C(=O)Nc2nccs2)cc(-c2ccccc2)n1CCCN1CCOCC1 220750590 WBBKXNYKMRVSKW-UHFFFAOYSA-N 410.543 3.895 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3ncccc3c2[nH]1 586936921 OFDBNMRZUFTIFK-GOSISDBHSA-N 412.540 3.884 0 1 HHAF COc1cccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 586944825 XBNVXZZYRCIDNP-UHFFFAOYSA-N 413.524 3.821 0 1 HHAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5ncccc5[nH]4)[nH]c23)cc1 586952361 CDNVPWGAUXHUGW-UHFFFAOYSA-N 419.466 3.916 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O 587108200 WYSUMWMSBHTYAZ-KIMHZCHSSA-N 412.489 3.702 0 1 HHAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(I)c1 587179453 AOQAAVARIGPOCR-UHFFFAOYSA-N 408.195 3.614 0 1 HHAF C[C@@]1(c2cccc(N3CCCS3(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587529585 AEEIJADXSFKLRS-QHCPKHFHSA-N 411.523 3.986 0 1 HHAF C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531789 JUFKCIVFURROLJ-NRFANRHFSA-N 401.484 3.523 0 1 HHAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587552667 BUNDTWAJIMJNSU-WIYYLYMNSA-N 414.410 3.638 0 1 HHAF COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812371 ZSBRDRDQBFIDKC-MPBGBICISA-N 422.294 3.938 0 1 HHAF CC(=O)c1ccc2c(c1)[C@@H](c1ccc(C=O)o1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635017 SUSJGSICHKVPGC-HKUYNNGSSA-N 413.426 3.631 0 1 HHAF O=C(N[C@H]1C[C@@H](O)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772585511 RSNYWHWFBAPIII-OKILXGFUSA-N 403.360 3.694 0 1 HHAF COCCOc1ccc(NC(=O)c2cc(N(C)Cc3ccc(F)cc3)ncn2)cc1 1772599979 BUPAOLKTHZKUPG-UHFFFAOYSA-N 410.449 3.530 0 1 HHAF C[C@H](O)CCCC=CCC=CCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 2356383336 JPDHHIDMPUIHBY-PMACEKPBSA-N 424.582 3.606 0 1 HHAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356718179 NCQLOJDAPOEYJA-RNEZRUNWSA-N 404.547 3.865 0 1 HHAF O=C(c1ccc(Cl)s1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55109328 VBJSFIIOHUWINU-QGZVFWFLSA-N 407.942 3.967 0 3 HHAF CCCCNC(=O)[C@@]1(C)CCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 61895614 TZMFSDBGZPKMDM-XMMPIXPASA-N 412.530 3.906 0 3 HHAF COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1OC 767885 ORMIWXJWDVNFQM-FYYLOGMGSA-N 420.465 3.748 0 1 HHAF O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F 3024175 RYJXZUOWEYOWRP-UHFFFAOYSA-N 416.449 3.738 0 1 HHAF CCOc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 3775477 LAUHOTTZDXINOP-UHFFFAOYSA-N 423.557 3.951 0 1 HHAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4054966 MRAUPNNKOJSKPA-AZUAARDMSA-N 401.894 3.627 0 1 HHAF CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)CC1 9265401 GZCKEBXOXWABLP-UHFFFAOYSA-N 405.498 3.782 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)[C@H](O)C2 27308347 NFAGEMWHQMZYBN-HCLVMJGWSA-N 419.562 3.703 0 1 HHAF C[C@@H](COc1ccc(C[C@H]2SC(=O)NC2=O)cc1)N(C)c1nc2ccccc2o1 27315110 UVPUFRHTTYUFDH-SCLBCKFNSA-N 411.483 3.626 0 1 HHAF Cc1ccc(Cl)cc1N1C(=O)c2ccccc2[C@@]1(O)c1ccc2c(c1)NC(=O)CO2 35901763 GCQSTRCSTKDJPL-QHCPKHFHSA-N 420.852 3.833 0 1 HHAF COc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H]3COC[C@H]32)cc1OC 36400963 RKVVUMUMIOPICX-QINHECLXSA-N 400.471 3.680 0 1 HHAF biogenic Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(CO)o2)n1 39960782 DXSLIRZXXRNJST-MZKRTTBSSA-N 418.541 3.505 0 1 HHAF biogenic Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(C(=O)O)cnn4c3N)cc2)c1 40406980 VLKWVXFXSIJFFW-UHFFFAOYSA-N 402.414 3.629 0 1 HHAF O=C(O)c1ccccc1C(=O)Nc1cc(Br)c(O)c(Br)c1 40421931 OFRZEAILMNWSQN-UHFFFAOYSA-N 415.037 3.868 0 1 HHAF COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1 45259430 DPSHYRRSRHVRRE-UHFFFAOYSA-N 419.395 3.633 0 1 HHAF CCc1c(C)[nH]c2cc(OCCCOC(=O)[C@@H](CC)C(C)=O)c(Cl)cc2c1=O 73225016 CPTBGOMQEPVPPU-HNNXBMFYSA-N 407.894 3.980 0 1 HHAF Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)NCc2ccccc2Cl)c1 82146587 XIAGQXUUKYBVSO-UHFFFAOYSA-N 422.916 3.872 0 1 HHAF CC(C)c1ccccc1OCCN1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 95576236 VLUZXILOPLVBGT-GOSISDBHSA-N 422.978 3.895 0 1 HHAF Cc1cnc(-c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)[nH]c1=O 96273785 XZVWLQOEWVMFTF-UHFFFAOYSA-N 414.483 3.728 0 1 HHAF Cc1nc(N2CCCCC2)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)cc-2[nH]1 100867604 HWPFJSYYOYEDRX-UHFFFAOYSA-N 404.923 3.836 0 1 HHAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(Cc2ccc(C)cc2)CN1C 103209551 UCGNFVGRVMODFR-UHFFFAOYSA-N 415.925 3.716 0 1 HHAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](O)C(C)C)n1 207202726 QPONSQWOQBWVEK-ZOCZFRKYSA-N 417.517 3.521 0 1 HHAF O=C(NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cscn1 587028160 LPGOIGGSKKFUQG-UHFFFAOYSA-N 405.199 3.731 0 1 HHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 587125886 HGTXXMVEIBVXAL-RCOVLWMOSA-N 401.190 3.891 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C[C@@H]1CCCO1 587197918 XOFLTXBTCBYKCB-LBPRGKRZSA-N 400.401 3.893 0 1 HHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)CC2=O 587477510 RMSARPZAMSPICC-OWJWWREXSA-N 407.466 3.743 0 1 HHAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576467 JBZOIKIMQRPWHY-CVDCTZTESA-N 407.422 3.784 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1c[nH]c2ccccc12)C(=O)O 587586784 DMIIFHQDFXAOID-GBXCKJPGSA-N 415.401 3.901 0 1 HHAF CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2C 587597553 VTCHPOSNPWGZNP-GBXCKJPGSA-N 401.418 3.788 0 1 HHAF O=C1OCC[C@@H]1Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609611 OHMJPJVGYJEOJK-MIZPHKNDSA-N 418.401 3.789 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 587765388 JRPLIRPRDIHINV-FKIZINRSSA-N 418.310 3.916 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587796563 ULIJBERELFZYNG-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c[nH]c3ccccc23)N1 587801609 HCCVRHFEWDCNKU-GIGQVBGESA-N 403.251 3.932 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 587827670 LZLGXBCNAISXBX-NSPYISDASA-N 406.251 3.675 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3s2)(C(O)O)N1 587855466 GHBDWFSYKPPRDQ-OVWNDWIMSA-N 422.319 3.891 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCN1Cc1ccccc1 587869281 FTWGNXUYXCAJLF-KRWDZBQOSA-N 416.403 3.887 0 1 HHAF C[C@H](CCCCC(=O)O)[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705286 VQSGMEXRPZAYKE-TZOQJCELSA-N 405.388 3.940 0 1 HHAF CCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977298 OQYUCTKHOLGWAC-QRWLVFNGSA-N 409.816 3.642 0 1 HHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)C1 1772585032 QFSRXFSKJQBPQH-OAHLLOKOSA-N 417.469 3.522 0 1 HHAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(OC(F)(F)F)cc1)C2 36388498 UYVNWMZENXLEGM-XJKSGUPXSA-N 412.408 3.868 0 3 HHAF O=S1(=O)c2ccc(Br)cc2N2CCC[C@@H]2CN1Cc1ccccc1 61944702 OQBTVQKEKHPCPV-MRXNPFEDSA-N 407.333 3.622 0 3 HHAF O=C(COCc1ccccc1)N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358897 DAFCPZALIFGBSR-HXUWFJFHSA-N 400.906 3.554 0 3 HHAF COc1cc2ncnc(NS(=O)(=O)c3cc4ccccc4s3)c2cc1OC 1655222 QWIIOSAZKCEDQT-UHFFFAOYSA-N 401.469 3.663 0 1 HHAF CCOc1ccc(-n2cc(C(=O)N[C@H](C)CC)c3cc(OC)c(OC)cc3c2=O)cc1 3660448 XMZPEEXUQUQQTO-OAHLLOKOSA-N 424.497 3.935 0 1 HHAF CCN(CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 4909634 KMEZOVJMUCBDTD-XZOQPEGZSA-N 418.541 3.536 0 1 HHAF CC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)OC1(C)C 5664613 BNSRVXDDPIAAQG-LEWJYISDSA-N 408.406 3.794 0 1 HHAF biogenic COc1cc(CCC(=O)C[C@H](CCc2ccc(O)c(OC)c2)OC(C)=O)ccc1O 13377904 CDIQAHPGTJXRRX-IBGZPJMESA-N 416.470 3.571 0 1 HHAF biogenic NCCc1c[nH]c2ccc(O)c([C@@H](CN)c3c[nH]c4cc(Br)ccc34)c12 15253031 CYOQHWKPIREKQD-AWEZNQCLSA-N 413.319 3.709 0 1 HHAF biogenic O=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1cccc(OC2CCCC2)c1 28371647 KTGOFUPLLGQSBB-UHFFFAOYSA-N 415.437 3.697 0 1 HHAF Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(Br)cc1)C2=O 40900728 OMQVVCKAQDNWIK-UHFFFAOYSA-N 419.300 3.767 0 1 HHAF CCCn1c(=O)nc(O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 53226774 MDOUOFIPUFQHAM-UHFFFAOYSA-N 418.453 3.525 0 1 HHAF C[C@@H]1N[C@H](C)[C@H](C)N(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H]1C 64454535 ODRYYALTRCCVOI-CKIJPRSSSA-N 416.736 3.776 0 1 HHAF CC1(C)NC(=O)N(C[C@@H](O)COc2cccc(-c3cccc4ccccc34)c2)C1=O 66074719 HKBNALSQJQALDD-GOSISDBHSA-N 404.466 3.577 0 1 HHAF Fc1ccc(Nc2ncnc3sc4c(c23)CCNC4)c(OC2CCOCC2)c1 68199777 SQGZUMNITNRRET-UHFFFAOYSA-N 400.479 3.778 0 1 HHAF Cc1cn(CCCCCCCCCCCC(F)(F)P(=O)(O)O)c(=O)[nH]c1=O 84652978 STTJNCZVTDENAK-UHFFFAOYSA-N 410.398 3.517 0 1 HHAF O=C(Nc1ccccc1N1CCOCC1)c1csc(-c2ccc3c(c2)CCO3)n1 84712827 DRTUFTYYMVYVAS-UHFFFAOYSA-N 407.495 3.834 0 1 HHAF CCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C(=O)O)c1 96921176 ZMDHNYHYPIOQRH-UHFFFAOYSA-N 419.275 3.882 0 1 HHAF CCCCc1ccc(Oc2ccc(CC[C@](N)(CO)COP(=O)(O)O)cc2)cc1 103301211 VPWNJMJBKQLUDJ-NRFANRHFSA-N 423.446 3.553 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N3C(=O)OC[C@H]3C)c2)nc1 113542107 IAXRBXSRJDRHLE-CVEARBPZSA-N 417.469 3.683 0 1 HHAF O=c1n(Cc2cc3cc(Cl)ccc3n2CCCCO)c2cnccc2n1C1CC1 200588348 GMCUWQHCTSCBAE-UHFFFAOYSA-N 410.905 3.962 0 1 HHAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCCC2CCCCC2)cc1F 216201544 JTQWDYUOKLVDHR-UHFFFAOYSA-N 420.934 3.755 0 1 HHAF COc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 586934654 COOSMHBRQYRUFQ-KRWDZBQOSA-N 419.572 3.961 0 1 HHAF Clc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccnc1Br 587006586 IIKMULHFLRNAMP-UHFFFAOYSA-N 407.699 3.873 0 1 HHAF Cn1nc(-c2nc3nccc(N)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587131144 ZWNUMIRWNRRZAE-UHFFFAOYSA-N 407.384 3.757 0 1 HHAF Cc1nc(O)nc(S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370742 AYSQSUMGIXANBT-UTKZUKDTSA-N 412.442 3.898 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)NC(C)C)c4ccccc14)[C@@H](C2)C3=O 587429754 CRGQTZGVHSGPPT-BXKMTCNYSA-N 404.466 3.663 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C 587488997 AEIBXLPXMSNFCY-HBUDHLSFSA-N 408.516 3.763 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 587751177 WSDJQHQMRUOASY-ZQBYOIRZSA-N 421.310 3.558 0 1 HHAF COc1ccc(F)c([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1OC 962674144 VPPRIKCAWYXEDQ-XXBNENTESA-N 410.445 3.579 0 1 HHAF C[C@@H](N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CCC2)[nH]1)C1CCC1 1857655841 HTFFUPGDRXDEIP-CHWSQXEVSA-N 420.483 3.997 0 1 HHAF O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccc(Cl)cc2F)CC1 1857771623 ULFBDNCBCRYWLP-UHFFFAOYSA-N 415.896 3.678 0 1 HHAF C[C@H](O)C=C[C@](C)(O)[C@@H]1CC[C@@H]2C=C([C@@H]3CC[C@@H]4C(=O)C[C@H](O)CC=C43)C[C@]21C 2356725353 MCYUJBHXAJEPHI-AEKLUAMBSA-N 400.559 3.713 0 1 HHAF Cc1c(NC(=O)CN2CCCC2)ccc2nc(N[C@H](C)c3ccccc3)oc(=O)c12 6520516 KVLYICFXIMSNCL-MRXNPFEDSA-N 406.486 3.704 0 1 HHAF CN1CCC(n2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1 13489990 HCJOTKSJPHFVJC-UHFFFAOYSA-N 424.504 3.957 0 1 HHAF COc1ccccc1C(=O)OC[C@@]1(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O1 13704085 FEYVCMAKCJAFOZ-FADXNGITSA-N 404.503 3.775 0 1 HHAF O=C(O)Cc1nn(Cc2nc3ccc(C(F)(F)F)cc3s2)c(=O)c2ccccc12 13860755 XOJYJEBZQIGCBU-UHFFFAOYSA-N 419.384 3.700 0 1 HHAF COc1cc(OC)c(OC)c(-c2cc(=O)c3c(OC)c(OC)ccc3o2)c1OC 14436541 NCXFRNCNVLBXSM-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF biogenic,in-vitro COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H]2CCc3ccccc32)cc1OC 26579582 DZLNOHGOGHSKMG-OAQYLSRUSA-N 424.522 3.977 0 1 HHAF O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)C(c2ccccc2)=NN1 28656404 GSSNISWUIUDDCJ-QGZVFWFLSA-N 406.461 3.687 0 1 HHAF O=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12)c1ccccc1 36184926 IEOQBNYYSAIFCL-UHFFFAOYSA-N 417.490 3.966 0 1 HHAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@H]1CCCN(C)C1)[C@@H]3c1cccc(O)c1 45351718 ILPBYDQWNIUYOS-MHECFPHRSA-N 403.526 3.998 0 1 HHAF CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(CCN)c4)c3c2)c1 84731021 QRBHNULPURRWMI-UHFFFAOYSA-N 406.511 3.770 0 1 HHAF CN(C)C(=O)c1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928694 WULSBYKWCGDFOX-UHFFFAOYSA-N 421.284 3.691 0 1 HHAF CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@@H]1c1cc(OC)cc(OC)c1 103205740 MCXASUKAIPSVDU-HSZRJFAPSA-N 423.513 3.628 0 1 HHAF CC(C)C[C@H]1C(=O)N[C@@H](c2ccc[nH]2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103264345 NCNXBUWPJRRRHQ-MOPGFXCFSA-N 410.449 3.537 0 1 HHAF CCOC(=O)/C=C/c1ccc(O)c(/C(=C/c2ccc(OC(C)=O)cc2)C(=O)OCC)c1 103265900 JTCCTFFAIXPCFK-ZABCAIROSA-N 424.449 3.998 0 1 HHAF COC(=O)[C@]1(OC(C)=O)C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 104369516 USYOOQFISINJLZ-AKCMQFMCSA-N 406.519 3.959 0 1 HHAF in-man Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCN(C(=O)N(C)C)CC3)cc12 114714251 PQUAASUWZCDBAM-UHFFFAOYSA-N 417.579 3.787 0 1 HHAF C=CC(=O)N[C@H]1CCCN(c2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 221412304 FDPCPMJXQZVTTF-SFHVURJKSA-N 415.497 3.789 0 1 HHAF COc1cc2c(cc1[C@H]1COc3c(cc(OC)c4c3C=CC(C)(C)O4)C1=O)OCO2 238772559 SVVMFCAJMUPCKW-OAHLLOKOSA-N 410.422 3.976 0 1 HHAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 253634505 PCALQRJKBBDAFN-RLIDHQHUSA-N 403.563 3.725 0 1 HHAF CC1=C2CC[C@]3(C)[C@@H]4[C@@H](O)C[C@]5(O)[C@H](C)[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 255209374 FKTUIAROLJADNJ-ZDRQUAPQSA-N 416.650 3.881 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(I)c2[nH]1 587044293 ZBKYOAIKAHDTQY-NSHDSACASA-N 415.300 3.788 0 1 HHAF O=C1CSc2ccc(-c3nc4ccc(I)cc4[nH]3)cc2N1 587044355 UFXBVHQBVQXLCN-UHFFFAOYSA-N 407.236 3.879 0 1 HHAF Cc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Br 587127533 VZTDGXDALIBSNX-UHFFFAOYSA-N 420.210 3.989 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)N1CCC[C@H]1C(=O)O)(C(C)(C)CC)CC2=O 587485023 HYEDPGGWOYJYBC-QMHKHESXSA-N 417.502 3.561 0 1 HHAF C[C@@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514980 ZEZUZQOZJIXCLT-PUAOIOHZSA-N 421.493 3.796 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580431 HZBWUHBHIAXECP-UTXUYHSBSA-N 419.481 3.675 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1c[nH]c2ccccc12)C(=O)O 587586786 DMIIFHQDFXAOID-RDPSFJRHSA-N 415.401 3.901 0 1 HHAF CN1CCN(c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 587593537 KDHVLRKKPAHTAC-WIOPSUGQSA-N 416.477 3.847 0 1 HHAF CCO/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC 587707839 XLYFWYAQVHJHED-NQTCYSCSSA-N 411.237 3.977 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587848327 HXYVEWWOZWYOCC-ZMZPIMSZSA-N 412.324 3.789 0 1 HHAF CNc1cccc(-c2cnc3cnc(-c4ccc(OCCCN(C)C)nc4)cn23)c1 653750417 JZSPMXIZXWZBPZ-UHFFFAOYSA-N 402.502 3.831 0 1 HHAF CC(=O)N(C)c1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697902 BZCMIUGOPFVMJF-AZUAARDMSA-N 424.394 3.690 0 1 HHAF CC1(C)OCc2cc([C@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962973401 WAHABJYJHHJRLR-RDTXWAMCSA-N 409.816 3.952 0 1 HHAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(C[C@H](c3ccccc3)C2)NCCc2nc3ccccn3c21 962988436 OBTMMABKYHYOFY-CRICUBBOSA-N 412.493 3.788 0 1 HHAF COc1ccc(CN2CCC(COC(=O)/C=C/c3ccc(O)c(OC)c3)CC2)cc1 1772578556 WXERTBOJSFMTBS-UXBLZVDNSA-N 411.498 3.878 0 1 HHAF COc1cc(-c2nc(SCC(=O)Nc3ccc(C)cc3)n[nH]2)cc(OC)c1OC 1857594916 IKLGRCYNIFWJEX-UHFFFAOYSA-N 414.487 3.537 0 1 HHAF CC=Cc1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3)c(C)c2c1 2356531243 TWGHXVKHVUGVCO-XVKIFQOISA-N 410.466 3.648 0 1 HHAF Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1Br 1540809 JRIBBCYNNHGXIT-UHFFFAOYSA-N 410.293 3.766 0 1 HHAF investigational COc1cc([C@@H]2c3c(ccc4ccccc34)C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1O 1654642 PWASRHCIRUXQDB-HTAPYJJXSA-N 403.434 3.839 0 1 HHAF COc1ccc(OC)c([C@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)c1 2914485 ZBCSBQPJWDLLQT-HZPDHXFCSA-N 416.279 3.599 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C 13398009 WQOZGNFAVRFSGE-DNKIOBKQSA-N 416.514 3.626 0 1 HHAF in-man COc1ccc(CNc2nc(N[C@H](CO)CC(C)C)nc3c2ncn3C(C)C)cc1 13863607 APJPLKQKJZATLB-KRWDZBQOSA-N 412.538 3.847 0 1 HHAF COc1ccc(/C=C/C(O)=C2/C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)c(OC)c1OC 15962202 OWUWZAVJFQJYSL-RHELORABSA-N 423.465 3.950 0 1 HHAF Brc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccon1 35997524 GAYVGIZGJOYMSQ-UHFFFAOYSA-N 417.267 3.551 0 1 HHAF CC(=O)N1CCOc2ccc(C(=O)Nc3nnc(-c4c(C)cccc4C)s3)cc21 43075122 BUAATPMOGDLUBH-UHFFFAOYSA-N 408.483 3.820 0 1 HHAF Cc1cccc(C(=O)N2CCN(Cc3cccc(NC(=O)c4ccco4)c3)CC2)c1 45167049 OZNDKCHFCAMQIO-UHFFFAOYSA-N 403.482 3.798 0 1 HHAF O=C(Nc1cccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1)c1ccco1 45194500 HBHJFODPMQCKGC-UHFFFAOYSA-N 407.445 3.629 0 1 HHAF COC[C@H](Cc1ccccc1)Nc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82204376 NGWQTXMWTDOUEB-NRFANRHFSA-N 409.578 3.519 0 1 HHAF O=C(NCCc1ccccc1)NCCc1ccccc1C(=O)NCCc1ccccc1 84738958 SNAKABCKSJEIFP-UHFFFAOYSA-N 415.537 3.744 0 1 HHAF Nc1cnc(-c2ccccc2)cc1NC(=O)c1cnc2cc(N3CCNCC3)ccc2c1 144698090 AMRQVYIDQIGWQL-UHFFFAOYSA-N 424.508 3.541 0 1 HHAF CNCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 198841374 XUPAHVLQFBGOOQ-NRFANRHFSA-N 417.513 3.859 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(-c3ncc[nH]3)c2)cc1 199934281 UPBDCQHVCHHNFM-UHFFFAOYSA-N 407.499 3.895 0 1 HHAF O=C(N[C@H]1CC[C@@H](c2ccccc2)CC1)c1ccn(CCC(F)(F)F)c(=O)c1O 261070997 ACWHTUOKWGNVIC-IYBDPMFKSA-N 408.420 3.963 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Cl)cc2[nH]1 586945588 JKMKJRUHPRKZRH-CQSZACIVSA-N 405.907 3.649 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)cnc2[nH]1 586956411 JZDPHQQLSATJFG-UHFFFAOYSA-N 424.457 3.524 0 1 HHAF CCOC(=O)Cc1ccc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 587091325 DAFYYSDLXZCNHF-HXUWFJFHSA-N 421.419 3.832 0 1 HHAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2nncn12 587338283 NSLAYVGMJKNYEK-DENIHFKCSA-N 404.401 3.552 0 1 HHAF CCC[C@@]1(CC(=O)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346969 KGHGBYSNSALSLO-REWPJTCUSA-N 414.429 3.951 0 1 HHAF COC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587373709 MZBVEMRGUSSCQL-YRISNDGFSA-N 402.443 3.555 0 1 HHAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@H](C)C(=O)N(C)C 587387551 QCESRZGFQLFIJT-JLTOFOAXSA-N 412.486 3.538 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(CC(=O)O)cc21 587408985 SFGZTWZAUYCMEA-VWLOTQADSA-N 413.429 3.658 0 1 HHAF CCCc1c(O)ccc2c1O[C@](c1ccc(N3CCCCC3)cc1)(C(O)O)CC2=O 587476014 SIEWFGQOLIPOJU-XMMPIXPASA-N 411.498 3.506 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N1CCc3cccc2c31 587590981 TZUJCJAELNAOQQ-BWKNWUBXSA-N 413.429 3.932 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O 587831609 ICBURTJPOPZNKO-WLCUFGOBSA-N 408.267 3.996 0 1 HHAF Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 587838228 MWYMKEKUAKBBOE-BMIZZYGASA-N 418.262 3.890 0 1 HHAF CC(=O)Nc1nc(C)c(-c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1 1857611923 BEEWYYBUVYXWGQ-UHFFFAOYSA-N 408.483 3.844 0 1 HHAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@@H](CNCc4ccccc4)O3)no2)cc1 2356287536 LEYIDIUEXDKCGN-WMTXJRDZSA-N 408.498 3.591 0 1 HHAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@@H](C)[C@@H](O)CC(=O)O)C(=O)OC2 2356852577 QRDKDYUDGPKLKF-DYVFJYSZSA-N 406.475 3.510 0 1 HHAF CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 2489220 CZDIRUDJTAAJIX-IBGZPJMESA-N 417.550 3.593 0 1 HHAF C[C@H]1CCN(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc2S1 6917510 CKPPZTVWXZYQBP-UIBVPNSUSA-N 415.555 3.778 0 1 HHAF CN(C)C(=O)CCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12079041 IZZBUJICBRKRPX-OAHLLOKOSA-N 420.431 3.661 0 1 HHAF COC/C(=C\C(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 13745835 JNGHAFCRPYOSHO-KGENOOAVSA-N 404.514 3.708 0 1 HHAF Cc1ccc(CN2CCN([C@H]3CCc4cccc5c4N(C3=O)C(C)(C)C5)CC2)cc1 22927140 OLGSDKVBQGETRV-QHCPKHFHSA-N 403.570 3.795 0 1 HHAF CCN(C)CCN1C(=O)[C@H](O)[C@@H](c2ccc(OC)cc2)Sc2cc(Cl)ccc21 27741053 ISCCGEOIRNWELU-WOJBJXKFSA-N 420.962 3.841 0 1 HHAF COc1ccc(-c2ccc3ncc(-c4cccc(NC5CCNCC5)n4)n3c2)cn1 29044940 SGWQLKZDRSCUTH-UHFFFAOYSA-N 400.486 3.631 0 1 HHAF Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCC2(CC1)OCCO2 62241942 NJOQHORLRFTUGK-UHFFFAOYSA-N 421.291 3.946 0 1 HHAF CC[C@@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82143950 OAOUXGCESAIYAI-CYBMUJFWSA-N 414.506 3.520 0 1 HHAF CC(C)n1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82209833 OLSZWXOGQZFSQZ-SFHVURJKSA-N 410.518 3.608 0 1 HHAF COC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@@H]1C(OC)OC 95556643 SHPVAGYZHMXTLR-QGZVFWFLSA-N 404.463 3.709 0 1 HHAF COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)c(OC)c1 100555025 ZMPDNTWGKGMYRK-SUXCYGLUSA-N 407.894 3.763 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823548 KNADVTKHMNYCNZ-PMACEKPBSA-N 416.525 3.854 0 1 HHAF C[C@@H]1[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C[C@H]2C[C@@H]1C2(C)C 169729813 AGIGZQHXZXQTFQ-DHXZDTOLSA-N 402.922 3.855 0 1 HHAF COc1cccc([C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199424186 SXDLOMLBRQHGIA-IBGZPJMESA-N 404.514 3.859 0 1 HHAF Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 201147668 DQAWVMXJLTWRDV-UHFFFAOYSA-N 414.435 3.896 0 1 HHAF COc1nccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957699 DKNBLAJOPPAKIC-OLMNPRSZSA-N 412.515 3.661 0 1 HHAF COC(=O)c1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cn1 586967884 HJZRDGMGHKSIJC-UHFFFAOYSA-N 414.878 3.579 0 1 HHAF Cc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1F 586999927 KUWVRCYNMDXSQD-UHFFFAOYSA-N 404.239 3.741 0 1 HHAF COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1F 587125913 VMISJVNCCDRBHZ-UHFFFAOYSA-N 403.357 3.948 0 1 HHAF O=C(COc1ccccc1-c1nc2ccc(CCO)cc2[nH]1)Nc1ccccc1F 587155403 YJBCEUDDZOADIY-UHFFFAOYSA-N 405.429 3.921 0 1 HHAF O=C(c1cccc(C(F)(F)F)n1)c1c(CO)oc2cc(Br)cnc12 587276673 QNTFDUIOFTWXPN-UHFFFAOYSA-N 401.138 3.727 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(Cl)cc1)CC2=O 587460050 FHKIZFIWIWJOFU-JOCHJYFZSA-N 416.857 3.991 0 1 HHAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609163 MMSHINPADSKDPU-HYBUGGRVSA-N 416.385 3.919 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587720841 OBZBANBXOPGKPT-VVVCHXIZSA-N 416.241 3.589 0 1 HHAF CCO/C=C(\C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798067 NSMHJOMNUXGLGV-HCTBUZCTSA-N 400.288 3.821 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN(Cc2ccccc2)CC1 587872251 ISZBHDPFSOTSLB-UHFFFAOYSA-N 422.504 3.546 0 1 HHAF C=C(C(=O)O)c1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O 587943796 PJTFCHDXMJXMEL-UHFFFAOYSA-N 415.348 3.622 0 1 HHAF NC(=O)N1CCc2sccc2[C@]1(c1ccc(F)cc1)c1ccc(CC(=O)O)s1 962693673 ARLPERUQOUMOJH-HXUWFJFHSA-N 416.499 3.805 0 1 HHAF C[C@]1(CC(=O)Nc2cccnc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958358 PTFWMVWTAXQUFX-HXUWFJFHSA-N 419.447 3.996 0 1 HHAF Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(=O)CC4)cn3)n2)s1 1772646868 MYKVBUFMOIMWGR-UHFFFAOYSA-N 413.528 3.827 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](N[C@@H](CO)C(C)C)(c1ccccc1)C(=O)N2 1772648096 HUSZVVFPYFRMAR-XUZZJYLKSA-N 405.498 3.761 0 1 HHAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3cncs3)c2)c2cnccc21 1772652796 SGTNNXJSSMUODG-UHFFFAOYSA-N 405.483 3.881 0 1 HHAF CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccccc3)cc2oc1=O 1857546856 ZJVOIPFVGVYXJF-UHFFFAOYSA-N 403.434 3.850 0 1 HHAF COc1ccc(CCn2cc(CCc3ccc(O)cc3)nn2)cc1Br 1857655926 JCJBTKMUBQLOAX-UHFFFAOYSA-N 402.292 3.783 0 1 HHAF CSc1cccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCC(C)CC2)c1 2356286086 PSKDLUKUXSJGJP-SBHAEUEKSA-N 416.635 3.972 0 1 HHAF CC=C(C)C(=O)O[C@H](COc1c2ccoc2c(OC)c2oc(=O)ccc12)C(C)(C)O 2356422755 VTMREZQNDKWTII-OAHLLOKOSA-N 416.426 3.576 0 1 HHAF C[C@@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61930383 MIUWULAZCXYTJW-QFIPXVFZSA-N 407.857 3.833 0 3 HHAF CCOc1ccc2nc(NC(=O)C3(S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 4893277 CQSYOIONMQRLFH-UHFFFAOYSA-N 416.524 3.948 0 1 HHAF C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)[C@@H]1C 6724933 KSXAIWQJKUIRPO-WJFTUGDTSA-N 424.593 3.710 0 1 HHAF CN1C(=O)[C@H](NC(=O)c2cc3ccccc3n2C)N=C(c2ccccc2)c2ccccc21 13601722 LORMCGPDRBOOEU-DEOSSOPVSA-N 422.488 3.748 0 1 HHAF COC(=O)[C@@H]1Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2OC1=O 13975111 JRQPPTMEDCUEQR-SFHVURJKSA-N 407.422 3.522 0 1 HHAF O=C(O)CCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 14966995 RMBXKBYYWPXMDU-CQSZACIVSA-N 414.321 3.577 0 1 HHAF CCO[C@@H](Cc1ccc(OCCN2c3ccccc3O[C@H]3C=CC=C[C@H]32)cc1)C(=O)O 26575770 ACYMEKQXUVUFGC-SFLYRZDNSA-N 421.493 3.860 0 1 HHAF in-vitro CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)OCCCc1ccccc1 29207256 LLAHJYBITWOMNU-WZYRSQIMSA-N 407.510 3.871 0 1 HHAF c1cncc(CCNc2nc(-c3ccc4cc[nH]c4c3)cc(N3CCOCC3)n2)c1 60325261 DHIZZIOTVAOHCQ-UHFFFAOYSA-N 400.486 3.511 0 1 HHAF Nc1nc(N2CCN(Cc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1 66100736 SHDNTOJIAPVOQC-UHFFFAOYSA-N 420.517 3.797 0 1 HHAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)NC12CC3CC(CC(C3)C1)C2 73196102 MZWMPUXEJIICDD-IXQOCIMPSA-N 407.514 3.746 0 1 HHAF CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196162 JNNNUYBLYCGWFV-UHFFFAOYSA-N 412.559 3.769 0 1 HHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 100107132 KCRQDAGTLDHGDY-UBRQYEGLSA-N 422.525 3.930 0 1 HHAF Cc1noc(C[C@H]2CC[C@H](c3ccc([C@H]4COc5ncnc(N)c5O4)cc3)CC2)n1 101448029 LJSFOJRCMJHCMD-RVKKMQEKSA-N 407.474 3.779 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1CCCC2)c1ccc(C#N)nc1 146146436 UCKLIRRGOSTVPK-OXJNMPFZSA-N 419.529 3.597 0 1 HHAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2ccc3c(c2)OCO3)n1 261095393 FFXQHWJIBRJTOJ-IBGZPJMESA-N 404.422 3.732 0 1 HHAF O=C(Nc1ccccc1)C1CCN(C[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 473154915 MQDHWFBAOKEPSN-IBGZPJMESA-N 422.447 3.796 0 1 HHAF O=S(=O)(CCc1nc2cccc(Br)c2[nH]1)c1ccc2c(c1)CCC2 586920339 IXZLTPXMUULJOS-UHFFFAOYSA-N 405.317 3.831 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 586936113 HGJYOCJMNJPYOC-SFHVURJKSA-N 421.906 3.663 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(Cc3csc(-c4ccco4)n3)nc-2[nH]1 587018017 TXEDELCJIBYEFV-UHFFFAOYSA-N 404.455 3.930 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C(=O)O)[C@H]4C(=O)O)-c1ccccc1C2=O 587100749 HKKKNDOULFIXTA-MCGXXNDWSA-N 401.418 3.816 0 1 HHAF O=C1C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CN1Cc1ccc(F)cc1F 587148644 JHDKVOFPLCMQMV-SNVBAGLBSA-N 407.323 3.679 0 1 HHAF O=C(O)CCN(CCc1nc2ccc(Br)c(F)c2[nH]1)Cc1ccccc1 587193416 KMRQALILFRATCN-UHFFFAOYSA-N 420.282 3.984 0 1 HHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)=O 587378259 TVSPNUBEZDRRBT-INIZCTEOSA-N 420.259 3.980 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccco2)Cc2nc(N)ncc21 587472768 MSPHNVFKTCFRLO-ZAMGYDSWSA-N 405.454 3.901 0 1 HHAF COC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596734 RMMGDYOWLNJQEL-OFNKIYASSA-N 406.390 3.647 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2nc[nH]n2)o1 587614690 ULIOZEXIQOFQPN-APWZRJJASA-N 407.407 3.957 0 1 HHAF O=C(C[C@@]1(c2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)C1CC1 962662566 IJACLRCMSDYLLO-CLJLJLNGSA-N 414.505 3.946 0 1 HHAF CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033686 UEYOCPWPYPUGDK-LAJNKCICSA-N 419.308 3.853 0 1 HHAF Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc(N)nc1 1772618774 YIUZEPPABHWHBV-UHFFFAOYSA-N 415.375 3.891 0 1 HHAF CCC[C@@H]1c2c(CO)c[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356361912 BESMSBQFWIBHRJ-MOPGFXCFSA-N 411.498 3.909 0 1 HHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)[C@H](O)C[C@H]1OC(C)=O 2356495648 ZGDWNZMBIMUYME-RTOMLYRKSA-N 410.551 3.702 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1[C@H](OC)O2)C=CC(C)(C)O4 2356657660 PJHSNMSFYNPHLP-WTIAFYNJSA-N 424.449 3.980 0 1 HHAF C[C@@]1(C(=O)NCCc2ccccc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61926694 DSWJFZVWXUUDSZ-DEOSSOPVSA-N 402.450 3.530 0 3 HHAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2n[nH]c3cc(F)ccc23)CC1 26493957 NPKCLZQNGLZUCO-QFIPXVFZSA-N 420.488 3.594 0 1 HHAF CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1 29130383 BRKDRAMGEIRGGU-UHFFFAOYSA-N 411.571 3.840 0 1 HHAF O=C(NN1C(=O)CCS[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccncc1 84619638 INCPIBCWRJZYDM-QHCPKHFHSA-N 419.506 3.970 0 1 HHAF COc1ccccc1CN1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 95662130 GRDFPAHEYAVZPB-RSXGOPAZSA-N 414.549 3.910 0 1 HHAF C/C=C/C(=O)N[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1 100941902 AXDJCFLQRCIEQQ-PPABOGAYSA-N 406.526 3.998 0 1 HHAF Cc1c(F)cc(C(=O)NC2COC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144368302 XWGFKFXLSYBZBS-UHFFFAOYSA-N 419.456 3.826 0 1 HHAF CCCNC(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 146951035 MCKKDTMZKGAYBO-UHFFFAOYSA-N 402.926 3.617 0 1 HHAF COc1ccc(OC)c([C@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@H]32)c1 169689083 VQGLTDOEKNJEPX-GOTSBHOMSA-N 419.481 3.919 0 1 HHAF COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 199714062 DBNSFHRBLSAKGJ-HXUWFJFHSA-N 407.470 3.986 0 1 HHAF O=S(=O)(c1cccc(F)c1)c1cnc2cc(Cl)ccc2c1N1CCOCC1 201539845 XHTDULDMQOEGOR-UHFFFAOYSA-N 406.866 3.697 0 1 HHAF O=C(O)c1ccc(N2C[C@@H]3CN(C(=O)NCc4ccc(Cl)cc4Cl)C[C@@H]32)cc1 205436384 HXTLAORWBSDYFO-KSSFIOAISA-N 420.296 3.722 0 1 HHAF O=c1c2cc(Cl)ccc2c(=O)c2c1sc1c(=O)c3ccc(Cl)cc3c(=O)c12 208124389 JRDPYHWOJWUKDN-UHFFFAOYSA-N 413.237 3.984 0 1 HHAF COc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1OC 587004395 UKFHRUBQVFLGFA-SNVBAGLBSA-N 417.259 3.978 0 1 HHAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587027530 RPKCDNHRDDSVHW-PVAVHDDUSA-N 424.526 3.881 0 1 HHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587069234 GFPVHABBOHBSFI-HNNXBMFYSA-N 408.893 3.561 0 1 HHAF Cc1cc(Br)cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 587171367 XIINLRQQFVXLNT-UHFFFAOYSA-N 412.284 3.594 0 1 HHAF CC(C)(C)n1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587344198 WJNVMEDSZGVDFE-AUSIDOKSSA-N 424.428 3.822 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccc1N)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587433506 RMJNPDWNAVWFMI-UUOWRZLLSA-N 401.418 3.667 0 1 HHAF CCCc1c(O)ccc2c1OC1(CCN([C@@H](C(=O)O)c3ccccc3)CC1)CC2=O 587476030 OBXDTFFUWNKXRL-OAQYLSRUSA-N 409.482 3.970 0 1 HHAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)n1ncc2ccc(Cl)cc2c1=O 587654267 JQRQXEREEKPKQM-INIZCTEOSA-N 417.893 3.727 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587736999 VHPSDRKFPSXRIE-MLCYQJTMSA-N 405.246 3.672 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587749380 PBNVQUOJNHCHSD-DGIBIBHMSA-N 409.299 3.985 0 1 HHAF C=C1NC(C)=Cn2nc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc21 587796798 QJRSBUWMHPCUPA-APBUJDDRSA-N 403.299 3.975 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 587833789 IBYKZDRAMBJJTA-WYRIXSBYSA-N 412.299 3.964 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc(C)cc(C)n1 587869476 IQCINLGGPNVWNX-UHFFFAOYSA-N 423.420 3.812 0 1 HHAF COc1ccc(/C=C\Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(OC)c1 587928990 ITQAECQDEBQALV-TWGQIWQCSA-N 417.469 3.895 0 1 HHAF COc1cc(-c2cnc3cnc(-c4ccc(OCCCN(C)C)nc4)cn23)ccc1O 653765598 KDZHRSVKBXXGON-UHFFFAOYSA-N 419.485 3.503 0 1 HHAF CN(C)Cc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)cc1 962638275 SOAIYNOQOZSVRD-AZUAARDMSA-N 408.420 3.509 0 1 HHAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)ncc12 1772572277 TUKFHQRQRCZRFA-MRVPVSSYSA-N 406.805 3.811 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3cccnc3)c2cn1)c1ccc(F)cc1 1772601074 GUCFCZLUEWYATQ-CYBMUJFWSA-N 406.421 3.954 0 1 HHAF Oc1nc(N2CCC3(CC2)CNc2cccc(Br)c23)nc2c1CCCC2 1857602190 HDPKFKWBVMIZEB-UHFFFAOYSA-N 415.335 3.787 0 1 HHAF COc1cccc([C@@H]2CS(=O)(=O)Oc3c2c(C2CC2)nn3-c2cccc(F)c2)c1 1857612707 XXOULTLHZZQCCS-SFHVURJKSA-N 414.458 3.752 0 1 HHAF COc1cc(OC)c(-c2cn3ccc(N4CCC(CO)CC4)cc3n2)cc1Cl 1857619303 HHXDYYCNDIUIHM-UHFFFAOYSA-N 401.894 3.881 0 1 HHAF CCCCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@H]2C 2356307684 LHEBXTCMVABHAM-SXYLXEDASA-N 419.635 3.745 0 1 HHAF CC(=O)O[C@H]1C[C@@H](C(C)=CCC=C(C)C)[C@@H]([C@H]2C(=O)C[C@@H](OC(C)=O)[C@H]2C)[C@@H]1CO 2356444924 NZWVOVFKAOWSBT-TXBHKCBOSA-N 420.546 3.622 0 1 HHAF COc1ccccc1-c1noc(CCC(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 59201537 OAIJFOHYSYYTEW-UHFFFAOYSA-N 420.513 3.643 0 3 HHAF Cc1sc2c(c1C)-c1nc(SCC(=O)C(C)(C)C)ncc1S(=O)(=O)N2C 1039216 KGEKPYWQEJTCEN-UHFFFAOYSA-N 411.574 3.668 0 1 HHAF CS(=O)(=O)c1ccc(-c2cc(CCCO[N+](=O)[O-])nn2CC2CCCCC2)cc1 3938217 RVGOCPGIDJWKIS-UHFFFAOYSA-N 421.519 3.675 0 1 HHAF COc1ccc(CO[C@@H]2c3c(ncn3Cc3ccc(OC)cc3)N=CN(C)N2C)cc1 13559516 CLPKSEJPYWUGKC-HSZRJFAPSA-N 421.501 3.616 0 1 HHAF O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3ccccc3Cl)CC2)o1 26378895 QUXVFCAVIRVIOM-UHFFFAOYSA-N 401.869 3.792 0 1 HHAF O=C1Nc2ccccc2S/C1=C\c1c[nH]c2cc(OCCN3CCOCC3)ccc12 28455241 IVDKPGBCQGWDMO-XKZIYDEJSA-N 421.522 3.964 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3c2ccc(F)cc2)nc1 28824510 OJUBJVRKXUPGAK-RTBURBONSA-N 403.461 3.523 0 1 HHAF CS(=O)(=O)N(Cc1c(F)cccc1-c1cccc(Cl)c1)CC1CCNCC1 49035254 SSLQXNFBHFVQQV-UHFFFAOYSA-N 410.942 3.907 0 1 HHAF O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1 64539810 HLPHLGNPJPSUFS-UHFFFAOYSA-N 422.464 3.799 0 1 HHAF CCNC(=O)NCc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1 66099171 KEVRIFVMDNIIJF-UHFFFAOYSA-N 417.897 3.590 0 1 HHAF Cc1c2c(n3c1CC[C@H](C)N[C@H](C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71319359 ZJLULZSQJMGWCS-LSDHHAIUSA-N 422.573 3.764 0 1 HHAF CC1(C)CCc2c(NCCO)nc3oc4c(NCc5cccnc5)ncnc4c3c2C1 72117048 DTJNUDNOBCGTPD-UHFFFAOYSA-N 418.501 3.697 0 1 HHAF COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(O)c2)cc1 72126268 ZCUMWJCEHMSQTN-UHFFFAOYSA-N 407.451 3.920 0 1 HHAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN([C@H]3CCCNC3)C2)c2ccccc21 73224417 ABNVVKAVWJYHCL-DFBJGRDBSA-N 418.516 3.663 0 1 HHAF Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2cccs2)[N+](=O)[O-])c2ccco2)cc1 84670631 MDRJVAMGQRIQGY-XOQYZJNISA-N 404.469 3.987 0 1 HHAF COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 96271886 NFUILGBRJQDWLM-UHFFFAOYSA-N 418.199 3.515 0 1 HHAF CC(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cc1 96907646 CKYHQYXPPTWLPV-UHFFFAOYSA-N 420.561 3.678 0 1 HHAF COc1cccc(OCCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 96928019 NVNJXBGRRTWXBO-UHFFFAOYSA-N 404.466 3.503 0 1 HHAF CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C 195144016 YNMRJIMLEOQFSB-GTAWCEEGSA-N 402.487 3.711 0 1 HHAF CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)c1 204875618 APTZOLCMZQNBAH-UHFFFAOYSA-N 413.890 3.930 0 1 HHAF Cc1c(Br)ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586924806 AKZANQKBIRTQKI-UHFFFAOYSA-N 421.316 3.853 0 1 HHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 586952430 DARLCUTZPIMDMK-UHFFFAOYSA-N 421.729 3.782 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C(F)(F)C1 587131742 BVWOYHJZCJZUGH-LLVKDONJSA-N 407.396 3.857 0 1 HHAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(O)c2[nH]1 587194847 YPHKWKDVFTVHGK-GFCCVEGCSA-N 413.316 3.549 0 1 HHAF CC1(C)Cc2nc(N)ncc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587332202 FPDXQNZGCWWZAH-HYBUGGRVSA-N 419.456 4.130 0 1 HHAF CC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339795 SSLQJMHJMZQOQQ-UPVQGACJSA-N 405.425 3.922 0 1 HHAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O 587416842 GLVJSJVKWGHANS-MGPUTAFESA-N 411.255 3.872 0 1 HHAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S(C)(=O)=O 587531170 IVHPBQPJTDXEQW-QFIPXVFZSA-N 400.496 3.858 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587806674 KPPKZTXAYYSGQU-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1N 587870574 MKMAINOIVUAKIX-UHFFFAOYSA-N 409.396 3.683 0 1 HHAF O=C(NCCCCN1CCN(c2cccc(O)c2)CC1)c1ccc2ccccc2c1 653701092 UYSUVIPTEFGQSA-UHFFFAOYSA-N 403.526 3.878 0 1 HHAF CCOC(=O)COc1cc([C@@H]2NCCc3c(OC)ccc(Cl)c32)ccc1OC 963260585 YUGFVXLAINSSGE-NRFANRHFSA-N 405.878 3.534 0 1 HHAF CCc1ccc2nc(N3CCC(NCC4(C)COC4)CC3)c(-c3nc(C)no3)cc2c1 1857534437 MYBQADLXDCDTFA-UHFFFAOYSA-N 421.545 3.751 0 1 HHAF O=S1(=O)C[C@@H](c2ccc(F)cc2)c2c(C3CC3)nn(-c3ccccc3F)c2O1 1857552654 BPSCNTHGMCIERI-HNNXBMFYSA-N 402.422 3.882 0 1 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3C[C@@H](N3CC3)[C@H]2C(C)=O)C1 1857622881 WRCFYFRXAYMSAE-AAKJNIIZSA-N 415.574 3.639 0 1 HHAF CC(C)(C)c1cccc(OCCN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 1857646744 HPQZRVJVROEREX-UHFFFAOYSA-N 416.587 3.806 0 1 HHAF CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 95569317 REQWVELPYKHGBZ-AKERNLMBSA-N 422.602 3.910 0 3 HHAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)cc1 772181 HMXDUHDVWYITGD-PZJWPPBQSA-N 414.889 3.689 0 1 HHAF COc1cc(Cl)ccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13975954 BIHGIMCBUUNHBP-NRFANRHFSA-N 419.868 3.894 0 1 HHAF OCc1cc(Br)c(-c2ccc(O)cc2)c(I)c1 29462638 ANNBPSCNUAGKRU-UHFFFAOYSA-N 405.029 3.919 0 1 HHAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C3(C(N)=O)CC3)cc2)S1)c1ccc(F)cc1 40865919 XZVYHDOKKMKZAQ-YEJXKQKISA-N 411.502 3.538 0 1 HHAF CC(C)Nc1nc(NCCc2c[nH]cn2)nc(NCc2ccc(Cl)c(Cl)c2)n1 45168324 GLOJLTPNGYHMSK-UHFFFAOYSA-N 421.336 3.989 0 1 HHAF CCNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@@H](C3)O4)c3sccc3n2)cc1 101306755 XQXVCGDWWAHZSJ-HOTGVXAUSA-N 409.515 3.867 0 1 HHAF CC[C@H](Nc1ncnc2c(C(N)=O)cc(-c3cnn(C)c3)cc12)c1cccc(F)c1 114349346 SHKHXAXICQSNHX-IBGZPJMESA-N 404.449 3.832 0 1 HHAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCC5)cc4c3)n2)c1 144202334 JHPOBVBFXRROPK-UHFFFAOYSA-N 400.442 3.618 0 1 HHAF OC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1 150074861 UQJUFHPFHXUISQ-UHFFFAOYSA-N 407.424 3.926 0 1 HHAF O=C(Nc1ccc(C2=CCN(C[C@@H]3CCOC3)CC2)cc1)N1Cc2ccncc2C1 168030899 AGJKNOBCIAQRMU-SFHVURJKSA-N 404.514 3.755 0 1 HHAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@H]3[C@@H]1C5 169289861 KNIGTFRSJKNFFO-LTAQGGJHSA-N 403.522 3.689 0 1 HHAF CCCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169366496 PKRSCLWRYRXOGB-GJDPNALDSA-N 423.553 3.699 0 1 HHAF CCOc1ccc2c(c1)[C@]1(C)CCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H](C2)[C@@H]1C 201107094 ASMQRWPNNJKJAD-JJVTXGHKSA-N 407.510 3.976 0 1 HHAF CC(=O)[C@@H]1C[C@@]23C(=O)[C@](C)(CC=C(C)C)C(=O)[C@@](C(=O)C(C)C)(C[C@@H]2C1(C)C)C3=O 238775609 XVSSGVODPYXGOA-UMBMHIEFSA-N 414.542 3.923 0 1 HHAF O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)c1ccccc1CS2(=O)=O 299860306 JAIAOPCFCPAFFJ-UHFFFAOYSA-N 414.914 3.881 0 1 HHAF CCS(=O)(=O)c1cccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c1 586922326 LJLOVTQWYGFFSY-UHFFFAOYSA-N 414.712 3.758 0 1 HHAF NS(=O)(=O)c1ccc(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586929313 DODXZEHQJHSYLW-UHFFFAOYSA-N 407.495 3.575 0 1 HHAF COc1cc(OC)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 587004405 UNFFXEFEWJLFOT-SNVBAGLBSA-N 417.259 3.978 0 1 HHAF CCOC(=O)Cc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043878 WMEZZWMKPHZOER-KRWDZBQOSA-N 415.902 3.977 0 1 HHAF C[C@@H](c1nc2c(N)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199308 AEFMBVKSBBEMTG-ZDUSSCGKSA-N 414.469 3.877 0 1 HHAF COC(=O)C1=C2CCCCCN2C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521133 AGKMIIJCNWLCTD-XMMPIXPASA-N 409.482 3.503 0 1 HHAF Cc1ccc([C@@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602317 HUGNEDVBLGLVHG-HYBUGGRVSA-N 418.401 3.602 0 1 HHAF CCC[C@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792329 BPWVYURVYSDUII-BBATYDOGSA-N 400.288 3.640 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCC[C@@H](n3ccnc3)C2)N1 962926687 TXBRDSHQFQRCJJ-OUPRXKBMSA-N 419.481 3.991 0 1 HHAF Cc1ccccc1CN1CC[C@@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772645263 KUVFQBCWWCBTFO-NHCUHLMSSA-N 400.469 3.926 0 1 HHAF Cn1c(C(=O)NCc2cccc3ccccc23)nc2cccc(OC3CCNCC3)c21 1857538035 WTLUQGNJVMAPTO-UHFFFAOYSA-N 414.509 3.787 0 1 HHAF CCCC[C@](C)(OC)[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)OC)C(=O)C[C@H]1O 2356342761 GGDWDKDPRJFMHD-BDIVZWSOSA-N 412.567 3.579 0 1 HHAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)Oc3cc(O)c4c(c3C[C@@H]12)C[C@@H](O)CC4=O 2356719178 PSTLLZRFPVSVAC-ZTHGHJHISA-N 412.526 3.997 0 1 HHAF O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1cccc(Cl)c1 10166469 QEIAKBLEUJCWLY-UHFFFAOYSA-N 424.884 3.869 0 3 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 61907715 GGTQSELZCCQNOF-QFIPXVFZSA-N 416.481 3.715 0 3 HHAF CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 61923141 WFAOUWSZJODSTB-YPAWHYETSA-N 412.534 3.620 0 3 HHAF Fc1ccccc1[C@H]1C[C@H](c2ccc(I)cc2)Nc2nnnn21 2916485 LLTFHUDKIIVTOG-HUUCEWRRSA-N 421.217 3.563 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@@H](O)CC)c1 4055076 QXLZXGYEDCCVNH-CUWPLCDZSA-N 416.905 3.718 0 1 HHAF COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2ccncc2)CC3)cc1 4237959 LUBJMUYXZUMIEQ-UHFFFAOYSA-N 408.502 3.641 0 1 HHAF O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066840 UBLIWFWZNLJJBM-QGZVFWFLSA-N 415.902 3.680 0 1 HHAF aggregator O=C1NC[C@@H](c2c[nH]c3cc(Br)ccc23)N[C@@H]1c1c[nH]c2ccccc12 15266935 BAHAHDZOJKHNMC-RBUKOAKNSA-N 409.287 3.914 0 1 HHAF biogenic CO[C@H]1CC[C@H](OC)[C@@H](C2([C@@H]3C[C@@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 17176463 GRLWJBJNHZKQHW-GEFCAPRESA-N 418.530 3.713 0 1 HHAF O=C(O)CN(CCc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 29404547 HFYLPPKIAZFNAX-UHFFFAOYSA-N 422.428 3.802 0 1 HHAF Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccccn2)n1 39960764 ZXHSRBANEOTCCE-SXLOBPIMSA-N 405.571 3.876 0 1 HHAF biogenic Cc1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)o1 43019926 GUEUOFGZYQOLFF-QGZVFWFLSA-N 416.477 3.811 0 1 HHAF O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CC[C@@H]3N1 113222305 QBZDRCQBGMITBW-YWZLYKJASA-N 416.456 3.781 0 1 HHAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc(C(N)=O)cc3)nn3ccnc23)n1 207348496 OSMXZXORIHTBDQ-HNNXBMFYSA-N 413.485 3.623 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)o1 586923298 JDGAWNSHDAAASN-UHFFFAOYSA-N 402.863 3.803 0 1 HHAF CN1CCN(c2ccc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3c2)CC1 587133465 QFTACTGTWMIDMB-UHFFFAOYSA-N 407.276 3.992 0 1 HHAF CCOC(=O)[C@H]1CCN(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395482 MVCLNWQYRNVKLM-CJFMBICVSA-N 422.525 3.757 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587450111 DEHVJVXKDFLFNP-KDSXSNECSA-N 414.413 3.747 0 1 HHAF COC(=O)[C@]1(Cc2c(C)[nH]c3cccc(F)c23)CN(C(=O)OC(C)(C)C)CCC1=O 587637010 SQGRUCCEMPLMFI-JOCHJYFZSA-N 418.465 3.527 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2N)N1 587682052 MIAFKONYTYNAIH-WJWGPLDTSA-N 415.104 3.952 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cn2)N1 587682890 MDBIAHIAFRZBEE-AYVTZFPOSA-N 415.104 3.938 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587760407 YIIJMPKFRHPJLR-DGIBIBHMSA-N 424.314 3.588 0 1 HHAF CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12c1ccsc1CCN2Cc1cccn1C 962400282 UDCJOGUHWLPEAO-GBXCKJPGSA-N 421.566 3.909 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1cccn1CC(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962571045 OMIXVVOHNSNUEF-BTYIYWSLSA-N 400.519 3.813 0 1 HHAF NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)NC1CCCCC1)CC2 1772609733 FPRUUYGKWVSEBH-UHFFFAOYSA-N 400.910 3.765 0 1 HHAF CNC(=O)c1cccc(Nc2ncnc(N3CCC(c4ccc(C)c(C)c4)CC3)n2)c1 1772614943 GKAHFYNJWSERLA-UHFFFAOYSA-N 416.529 3.976 0 1 HHAF NS(=O)(=O)Oc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 1857594727 URRVKMJUMYIPNV-UHFFFAOYSA-N 409.773 3.585 0 1 HHAF CCCO[C@@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)C(=CC=C4CCCC(C)(C)C4)[C@H]3[C@@H]21 2356791825 IZZZOEMEYJMVAL-MKXNZWAPSA-N 420.502 3.626 0 1 HHAF Cc1ccc2c(c1)-n1c(nc3cc(F)ccc3c1=O)[C@H](Cc1ccc(O)cc1)NC2=O 61949240 QQDLNLPVCWCIBO-FQEVSTJZSA-N 415.424 3.566 0 3 HHAF Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 13472314 XMSLNRUNVUAOJS-UHFFFAOYSA-N 408.809 3.568 0 1 HHAF COc1ccccc1/C=C1\C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O 13704210 VUJPLDYWIITOTL-DRTMAPTHSA-N 404.503 3.618 0 1 HHAF COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cc3ccccc3cc2C1=O 13757426 CRCKHUCOOURRKN-LJQANCHMSA-N 419.433 3.757 0 1 HHAF COc1ccc(CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1 20114391 XTZCFKFJPJDDEZ-UHFFFAOYSA-N 418.541 3.875 0 1 HHAF CCCCN1CC(=O)N2[C@@H](c3cccc(C)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 26771998 IQWHACXLXMSVQX-QPPBQGQZSA-N 401.510 3.961 0 1 HHAF biogenic Cc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2 26824655 UPFXJVXNPXLCSK-UHFFFAOYSA-N 405.542 3.659 0 1 HHAF O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(S(=O)(=O)O)cc12 27631171 UBLBOXFCHGYNRT-UHFFFAOYSA-N 408.229 3.609 0 1 HHAF Cc1cc(CCC(=O)O)c2c(c1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 28769691 BZHRYTSLTBGVRX-QGZVFWFLSA-N 407.919 3.501 0 1 HHAF O=C(O)c1cn(Cc2ccc(-c3ccnc(Cl)c3)cn2)c2c(F)cccc2c1=O 45352674 LJCMHWDVZAUZJK-UHFFFAOYSA-N 409.804 3.998 0 1 HHAF O=C(N[C@H](CO)COCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 82085904 AOGDLNQEXROMTD-QGZVFWFLSA-N 402.903 3.771 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)cc(O)c31)[C@H]1CC[C@@H](C2)N1 96175344 CSWWUSLTFBDNLZ-BLLLJJGKSA-N 402.903 3.719 0 1 HHAF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)c(Cl)c3)cc2)no1 103250322 PHMRRWNGTSNAOQ-UHFFFAOYSA-N 423.853 3.758 0 1 HHAF O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)c1ccco1 110757320 UTENLGCOJFODIH-HUUCEWRRSA-N 416.220 3.533 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OC(C)C)ncc3F)C2)cc1 169709290 CAZLBFOBWKPNBS-HNAYVOBHSA-N 401.482 3.863 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CCC[C@H](N)C1)C(=O)N2 219396441 RKPWYUDCZHEUBU-YADARESESA-N 402.498 3.577 0 1 HHAF COc1ccc(/C=C/C[C@@H](c2ccc(OC)c(OC)c2)[C@@H](O)CCO)cc1OC 238788887 HXCGBYDGJKYLDZ-WLMAVBAVSA-N 402.487 3.651 0 1 HHAF FC(F)(F)c1nn(Cc2nc3ccc(Br)nc3[nH]2)c2c1CCCC2 587120070 PTLCCOXJHQRSSU-UHFFFAOYSA-N 400.202 3.863 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 587414618 WNAOLFAUGDXXNO-XUZZJYLKSA-N 417.417 3.552 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1nnn(Cc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587421465 MMIPVKDEHWAVNZ-HTAPYJJXSA-N 409.873 3.960 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCOCC2)c1 587593567 KJVHLHUMEDPUFY-WIOPSUGQSA-N 417.461 3.927 0 1 HHAF O=C(O)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594340 GQYSYPBDEQYSNR-NZQKXSOJSA-N 406.390 3.949 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2N)OCCO3)N1 587747971 TVDVUJUFAHQRPB-DGIBIBHMSA-N 407.283 3.739 0 1 HHAF CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965543 LGDSAGIAIVRXEU-WBMJQRKESA-N 413.770 3.980 0 1 HHAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(F)c(F)c1 1772595782 VLIVVRVETMYTHW-PXNSSMCTSA-N 422.422 3.896 0 1 HHAF O=C(NCCO)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1 1772654517 OYXLPQSMLSODGS-UHFFFAOYSA-N 424.884 3.893 0 1 HHAF C[C@@H]1CN(C)CCN1c1nc2cc(F)ccc2c(=O)n1-c1ccc(C(F)(F)F)cc1 1857536220 AMYBSZBSLHCWPX-CYBMUJFWSA-N 420.410 3.684 0 1 HHAF O=C1c2cc(S(=O)(=O)NC3CCCC3)ccc2CCCN1c1ccc(F)c(F)c1 1857761320 SYKKZNLOIUWIJM-UHFFFAOYSA-N 420.481 3.779 0 1 HHAF COc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 1857762420 VBGZDDYLPBTOBH-UHFFFAOYSA-N 412.463 3.800 0 1 HHAF Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@@H](C)C[C@@H](C)O)oc(=O)c1C2 36389236 YKTVPJPRINESLJ-RWMBFGLXSA-N 418.486 3.657 0 3 HHAF CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)c1 61927530 RFRGSTRPXCHHFB-NRFANRHFSA-N 402.406 3.622 0 3 HHAF O=C1COCc2ccc(-c3ccc4ccccc4c3)cc2N1CCN1CCOCC1 205207426 LHHZPJYIJNMANH-UHFFFAOYSA-N 402.494 3.702 0 3 HHAF Cc1nc2cc(C(=O)N3CCOCC3)ccc2n1-c1ccc(Br)cc1 2926344 IIMBALYQYINSIO-UHFFFAOYSA-N 400.276 3.569 0 1 HHAF CN1C(=O)[C@@H](OC[C@@H]2COC(C)(C)O2)N=C(c2ccccc2)c2cc(Cl)ccc21 3599130 JUMFEAXDHKDELJ-OXQOHEQNSA-N 414.889 3.648 0 1 HHAF COc1cc(OC)c([C@@H]2CCC(=O)c3c(OC)cc(OC)c(OC)c32)cc1OC 13480697 HDOLGKQZQAYPJH-LBPRGKRZSA-N 402.443 3.847 0 1 HHAF biogenic COc1ccc(-c2c(-c3cccc(NS(C)(=O)=O)c3)oc3ncnc(N)c23)cc1 14945100 QSUZLYWASFSPHS-UHFFFAOYSA-N 410.455 3.519 0 1 HHAF CCOC(=O)[C@H](CCc1ccccc1)C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C(=O)O 28260941 FSCGJDFCNOIPDF-NQSCKRDGSA-N 423.509 3.867 0 1 HHAF CC(C)(C)n1ncc(OCc2nnc(-c3cc(F)c(F)cc3F)o2)c(Cl)c1=O 38319711 KHHRCDYOHATDGX-UHFFFAOYSA-N 414.771 3.698 0 1 HHAF O=C1N(Cc2cc3ccccc3s2)C[C@@H]2CN(Cc3cccc4c3OCO4)CCN12 45302440 XLKMIJTUEUSWDW-SFHVURJKSA-N 421.522 3.752 0 1 HHAF Cc1c2c(n3c1CCCN[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 72176082 NPICSXCYDBJDTM-HOTGVXAUSA-N 422.573 3.764 0 1 HHAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCc3ccc(F)cc3)ncnc21 82185703 DCZOYHWVKOJEKI-UHFFFAOYSA-N 410.497 3.761 0 1 HHAF Cc1cccc2c1CN(C[C@@H](CO)N1CCC(c3noc4cc(F)ccc34)CC1)C2 87722225 HTUYABQWSXGCMY-FQEVSTJZSA-N 409.505 3.831 0 1 HHAF Cc1ccc(C(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC(C)C)c3C2)cn1 96168391 OSCCZCVJMNUCNR-UHFFFAOYSA-N 423.904 3.881 0 1 HHAF COc1ccccc1-c1cccn2nc(Cc3ccc(N4CCN(C)CC4)cc3)nc12 96169581 LMFKNEDNNFADOD-UHFFFAOYSA-N 413.525 3.748 0 1 HHAF COc1ccccc1OCCNC[C@H](O)CNc1ccc2[nH]c3ccccc3c2c1 96939507 GIDIQHKNIVZBJF-SFHVURJKSA-N 405.498 3.771 0 1 HHAF CC1(C)CC=C(c2nc(C3(O)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 146889194 QMCWYDFHDJJLTK-UHFFFAOYSA-N 421.501 3.520 0 1 HHAF C[C@H](c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CS(=O)(=O)c2ccsc21 169348913 JLDAMWQKGBMEFH-MRVPVSSYSA-N 409.382 3.667 0 1 HHAF N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CS[C@H]1c1cc(F)ccc1F 169708410 UVPKYEKLTNQJJY-WPGHFRTFSA-N 416.419 3.663 0 1 HHAF O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)CC1CC1 206925572 IUFSPDKQSBTLQO-GOSISDBHSA-N 406.891 3.534 0 1 HHAF C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@]2(C)C[C@]1(C)[C@]4(COC(C)=O)C(=O)OC 238739867 IYXXBNQIKXAQMV-NGBTXBKHSA-N 422.525 3.567 0 1 HHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586939842 XRFUWLMTRDZLDT-SJORKVTESA-N 421.910 3.616 0 1 HHAF O=S(=O)(NCc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)s1 586942613 NVCJRLNVEYZZLZ-UHFFFAOYSA-N 406.714 3.519 0 1 HHAF N[C@H](N=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 586999521 FIPMSGZVFRNGTL-OAHLLOKOSA-N 415.203 3.528 0 1 HHAF O=C1C[C@@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)c2c(Br)cccc2O1 587004579 XHARMPARKBMFGS-SNVBAGLBSA-N 401.216 3.659 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 587032478 TXTKFSNYLONZET-IXIHQHOXSA-N 412.544 3.974 0 1 HHAF Cc1c(-c2nc3ccnc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074057 QABXBGJXFFBOOT-UHFFFAOYSA-N 403.671 3.989 0 1 HHAF COC(=O)c1cc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587123877 KMMRQEVEPKSZGK-UHFFFAOYSA-N 412.190 3.818 0 1 HHAF C[C@@]1(c2nc3ccc(I)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174197 NXKAHZKRYOQTQR-KRWDZBQOSA-N 422.197 3.935 0 1 HHAF C[C@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341208 IQWJHWGTLODZMV-JTHBVZDNSA-N 416.412 3.781 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(I)ccc41)[C@@H](C2)C3=O 587428642 PJYJWZAZVGACRX-HNAYVOBHSA-N 418.230 3.889 0 1 HHAF CCOC(=O)CCCC(=O)NCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513627 SQSXVARIBRIDQH-KRWDZBQOSA-N 401.503 3.529 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 587737245 DHXRDRDBUUDUAU-SBOFIZKASA-N 417.294 3.907 0 1 HHAF CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587770028 HPYZZJYOJJUESQ-WLRWDXFRSA-N 407.283 3.958 0 1 HHAF CCOC(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587772305 FKUSDHMWLSLZPX-CWTRNNRKSA-N 407.283 3.714 0 1 HHAF CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793361 DPTAASHYKHIGSY-ZNFDVOBESA-N 400.288 3.821 0 1 HHAF COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805452 FKWGRVVHYIFXFG-MPBGBICISA-N 422.294 3.938 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC2OCCO2)N1 587834094 PYFBQOARIPHXHR-MPBGBICISA-N 422.294 3.964 0 1 HHAF CCOC(=O)Cc1c(C)[nH]c([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1C 962568875 LKCVLDZQWMPFSS-ZLOXQWCVSA-N 400.519 3.720 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccc(Cl)nc2)(c2ccccc2F)N1 962901940 URZCVBHJDJVGPW-UWJYYQICSA-N 400.812 3.904 0 1 HHAF CCCCSN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 1772584106 NWRMZYHPQQYULG-UHFFFAOYSA-N 419.522 3.744 0 1 HHAF C[C@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61928679 FVBZDCQFHSVLCY-JOCHJYFZSA-N 407.857 3.833 0 3 HHAF O=S1(=O)c2ccccc2O[C@H](COCc2ccccc2)CN1Cc1ccccc1 61944804 WHRYHDZPHIYWHL-NRFANRHFSA-N 409.507 3.855 0 3 HHAF O=C(O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1)N1CCN(c2ccccc2)CC1 205712650 JTDXWIISTZAWOO-ZCVJKFOLSA-N 411.546 3.659 0 3 HHAF O=C(O)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 3815051 AORLUMDMFWSHLT-UHFFFAOYSA-N 402.252 3.808 0 1 HHAF COCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21 4238817 OHSZAONIMAVXSO-UHFFFAOYSA-N 408.845 3.946 0 1 HHAF Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C 15879208 PUKPIHHQWSEWAO-IYOUNJFTSA-N 422.522 3.645 0 1 HHAF O=C(c1ccc(Br)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 40914130 UNVKLEKYYAZCKO-NHCUHLMSSA-N 414.343 3.872 0 1 HHAF CN(C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccc(O)cc1 40914699 CUIATNKAOCNQDR-UHFFFAOYSA-N 411.502 3.726 0 1 HHAF CC(=O)N1CCN(CCN2C(C)=Nc3ccc(Cl)cc3[C@H]2c2ccccc2)CC1 72123124 DEUBJXROHNXFGK-HSZRJFAPSA-N 410.949 3.959 0 1 HHAF CCN(CC)c1cc2c(cc1S(=O)(=O)Nc1ccc(C)c(C)c1)CCC(=O)N2 73223379 CPCRMUCDKAAXGT-UHFFFAOYSA-N 401.532 3.835 0 1 HHAF COCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 82132493 ORLKMAIJTQXSMH-UHFFFAOYSA-N 408.477 3.704 0 1 HHAF C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cn3)cc2)CCN1 95598492 MAIRELIWEBXPMN-SFHVURJKSA-N 418.516 3.958 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@H]2CC)n2c1COCC2)c1ccccc1 146137855 LNLKPPWJJZVTLN-UYAOXDASSA-N 409.530 3.914 0 1 HHAF Cc1nc([C@](C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(Cl)cn2)no1 149206728 KHCHRKGVMRTQOF-INIZCTEOSA-N 418.803 3.813 0 1 HHAF COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)[C@@]3(C)I)ccc1O 169364517 KMCWFSRJAGUCQK-PREXVCJDSA-N 416.255 3.940 0 1 HHAF O=C(O)CC/C=C\[C@H](O)[C@H](O)CCCCCC=C(Br)Br 238744201 ZFXQBFPZXYPLPE-MCTUQULKSA-N 414.134 3.711 0 1 HHAF COc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)c1 299821312 CFNAVCPPRDKPBH-UHFFFAOYSA-N 410.495 3.768 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4nc(C[S@@](=O)CC5CC5)[nH]c4c3)o2)cc1 586960171 UJRJZAGADHHTTF-LJAQVGFWSA-N 408.483 3.947 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 587038764 BPAMKMQBNOKHFV-DLBZAZTESA-N 418.526 3.569 0 1 HHAF Cc1c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C 587336854 AXXCHRCDWAFLRB-XWJITYEGSA-N 421.472 3.903 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)O2 587397282 ZHDZORCSGNXFSY-CEXJFXJFSA-N 416.518 3.717 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)C[C@@H]1F)[C@@H](C2)C3=O 587426679 FBGXERIQKBHPSS-WCAVRKLYSA-N 411.429 3.562 0 1 HHAF CCNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574267 WOGYJUGWKNJSQW-QPPBQGQZSA-N 419.433 3.610 0 1 HHAF C[C@@]1(c2cccc(N3CCNC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593153 JNOBXFQEAVUOQH-YKSBVNFPSA-N 416.433 3.799 0 1 HHAF O=C(Nc1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656048 VBJYGIAFXVNTRD-UHFFFAOYSA-N 405.360 3.621 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587791014 DRRPIUZJJRNRQP-VPTHRUTESA-N 404.239 3.786 0 1 HHAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O 587792904 LUPYRBYQVVYBMQ-GIGQVBGESA-N 424.266 3.684 0 1 HHAF CCC[C@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587797623 MOMWNEIDLCCSDQ-ADLMAVQZSA-N 400.288 3.640 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc2onc(C)c2c1 587867555 JPICGKRZJZGRKV-UHFFFAOYSA-N 403.320 3.506 0 1 HHAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CC(=O)NC21CCCC1 961753824 YNBMADRNMOKRFV-DEOSSOPVSA-N 411.546 3.866 0 1 HHAF COc1cccc([C@]2(c3ccccc3F)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963023645 KJAUIXWTUJMIGS-IZHWHUGBSA-N 403.457 3.575 0 1 HHAF Cc1c(O)ccc2c1[C@@]([C@H](C)OCc1ccccc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963547947 CJVUKLVUGREKKF-RISOHXOYSA-N 409.404 3.662 0 1 HHAF O=C(N[C@@H]1CCC[C@@H]1Cc1cc(C(F)(F)F)ccn1)c1ccccc1-n1nccn1 1772606053 MDUDGDCORVMJGD-RDTXWAMCSA-N 415.419 3.822 0 1 HHAF CC[C@H](C)C(=O)N1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 1772618545 KTMXDIROEKJXJK-ZDUSSCGKSA-N 400.441 3.615 0 1 HHAF CCOC(=O)N(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 1772647572 UYGXGKFNEPFSRL-UHFFFAOYSA-N 403.475 3.703 0 1 HHAF COc1cccc2nc(C[C@@H]3CN(C(=O)Nc4ccccc4)CC[C@H]3CC(=O)O)[nH]c12 2356305953 VPFCQVYYVIRSFC-JKSUJKDBSA-N 422.485 3.759 0 1 HHAF CC(=O)O[C@H]1[C@@H]2[C@H]3CC(C)=CC[C@@H](OC(C)=O)[C@@]4(C)OC[C@@H](C)[C@@H](C[C@H]1C)[C@H]2[C@@H]4O3 2356789217 DAJIKNUNDGBDIF-NPNJXVDOSA-N 420.546 3.671 0 1 HHAF Cc1c([C@@H](C)C[C@@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)CCCO)oc(=O)c1C2 36389237 YKTVPJPRINESLJ-FRRDWIJNSA-N 418.486 3.657 0 3 HHAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)NCc2ccc3c(c2)OCO3)cc1 61906777 GDVWCMDVSJJSSR-VWLOTQADSA-N 422.525 3.563 0 3 HHAF Cc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)CC1CCCCC1 61930578 WLBFFXVVVDACNU-UHFFFAOYSA-N 408.550 3.676 0 3 HHAF CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccco2)C1=O 95605738 GKUCLTIWATWOBG-HXOBKFHXSA-N 416.518 3.552 0 3 HHAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 769596 XBZJNGUWOCVRKP-UPVQGACJSA-N 421.541 3.827 0 1 HHAF COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 2352601 OSMQIWXVTKJSHL-LEWJYISDSA-N 403.434 3.748 0 1 HHAF COc1cccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1 13473893 QVFBXCMBAOLLPS-NRFANRHFSA-N 413.518 3.564 0 1 HHAF Nc1cccc(CN2C(=O)[C@@H](NC(=O)Nc3ccccc3)CCc3ccccc32)c1 13798973 HPUMWWWYDYLUHT-NRFANRHFSA-N 400.482 3.939 0 1 HHAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@@H]3CC[C@@]21C 26185449 WUXOBBJUEKXKHZ-AAPKDCIVSA-N 404.576 3.624 0 1 HHAF CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2)C1=O 26771638 QQNWCGMZIWPELT-ZJSXRUAMSA-N 417.509 3.662 0 1 HHAF biogenic COC(=O)c1ccc(OC[C@H]2C=C(c3ccc(Br)cc3)C(=O)O2)cc1 45356580 UUMJPJDIJAWZOF-MRXNPFEDSA-N 403.228 3.624 0 1 HHAF CCOC(=O)c1c(C)oc2nc(Nc3cccc(C)c3)nc(N3CCN(C)CC3)c12 64527888 XHPPPQPVUOYTHJ-UHFFFAOYSA-N 409.490 3.512 0 1 HHAF O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cn1)N1CCCC1 72113622 SFMJMKMVPCKUNE-QUCCMNQESA-N 411.571 3.908 0 1 HHAF CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072642 QUSRNXAGBGKQQE-IBGZPJMESA-N 415.559 3.738 0 1 HHAF O[C@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 82084144 QRJVZDBEGCTEDI-CQSZACIVSA-N 411.361 3.991 0 1 HHAF CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 95574263 YHFYIWRVJLIUGZ-HRCLSFSHSA-N 413.537 3.647 0 1 HHAF COc1ccc([C@H]2O[C@](OC)(c3ccc(OC)c(OC)c3)[C@](C)(O)[C@@H]2C)cc1OC 139025733 VOCDWVXLKPORDZ-ZDTCWRRLSA-N 418.486 3.679 0 1 HHAF Cn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccc(Cl)cc21 147840556 PZNYRNVGRCIBFC-UHFFFAOYSA-N 407.861 3.567 0 1 HHAF Cc1ccc(C)c2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 586941239 HNMNOAPVYBYYRS-UHFFFAOYSA-N 408.527 3.877 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2c(Cl)ncnc2[nH]1)c1cc(F)ccc1F 587140582 NVTOWOZPUAROTB-UHFFFAOYSA-N 421.816 3.752 0 1 HHAF CCC[C@]1(CC(=O)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346687 KGHGBYSNSALSLO-NZQKXSOJSA-N 414.429 3.951 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)no3)c(=O)c3ccccc23)c(O)c1 587666065 ZIYMTLJSZAHDBU-UHFFFAOYSA-N 418.453 3.600 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 587762271 RWOKIBNCOSXMMU-ZBEGNZNMSA-N 417.278 3.850 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-n2ccnc2)nn1 587865536 AQQNSSSAXKOKTG-UHFFFAOYSA-N 400.364 3.933 0 1 HHAF C=C1C=C(n2nc(-c3cccc(F)c3)cc2OCC)N2NC(C(F)(F)F)=NC2=N1 587871364 UWXGHGNWSUFTFJ-UHFFFAOYSA-N 406.343 3.551 0 1 HHAF CCOC(=O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3CC2)n1 653700686 BUPPNZDUGXMLCR-UHFFFAOYSA-N 423.542 3.570 0 1 HHAF CCOC(=O)CC[C@@]1(c2cc(OC)cc(OC)c2)NCCc2ccc(F)c(C)c21 962093216 OVXIXOMEKCBUCH-QHCPKHFHSA-N 401.478 3.884 0 1 HHAF Cc1c(O)ccc2c1[C@](C)(c1cc(Br)ccc1Cl)N[C@H](C(=O)O)C2 963530117 ZZSIGNKIHHOZTD-KSSFIOAISA-N 410.695 3.979 0 1 HHAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 1772596138 KWNJJPLLFRQMRI-IYARVYRRSA-N 415.607 3.638 0 1 HHAF Cc1nc([C@H](CN(C)C)NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)sc1CO 1772640590 MJDFFUXNKSQOJV-KRWDZBQOSA-N 418.950 3.625 0 1 HHAF Cc1ccc2c(c1)-n1c(nc3ccc(C)cc3c1=O)[C@H](Cc1ccc(O)cc1)NC2=O 61949244 XYLBWILEQDPZRY-NRFANRHFSA-N 411.461 3.735 0 3 HHAF CCc1c(CC(N)=O)c2cc(OCCCC(=O)O)c(C)cc2n1Cc1ccccc1 13446187 RGQSFCHCABWWFT-UHFFFAOYSA-N 408.498 3.832 0 1 HHAF CC1CCC(NC(=O)c2ccc(C/N=c3\c(O)c(O)\c3=N/C3CCCCC3)cc2)CC1 18209005 NYMPDSJSKLENSE-FVNHVHOESA-N 423.557 3.616 0 1 HHAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c(C(=O)NC)[nH]c1=S 28351902 XMGGSSCTVVSRCR-LLVKDONJSA-N 401.319 3.571 0 1 HHAF O=C1[C@@H]2CCCN2C(=O)N1CCCCCCCCNC[C@H]1CCc2ccccc2O1 38239400 JXAQAPJCKXJXJW-RTWAWAEBSA-N 413.562 3.737 0 1 HHAF Cc1ccc(CNC(=O)[C@H](CCCN)Nc2nc(Nc3ccccc3)ncc2C)cc1 45335115 JYZKCBKDGSPMMV-NRFANRHFSA-N 418.545 3.673 0 1 HHAF CCOC(=O)[C@@](O)(c1c[nH]c2ccccc12)C(F)(F)P(=O)(OCC)OCC 82053189 DUNZNXBAFIYRSA-INIZCTEOSA-N 405.334 3.778 0 1 HHAF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C(=O)O)cc1OC 95592219 LHOAIXCOUKYUPX-WGLAMXGCSA-N 424.371 3.975 0 1 HHAF CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc(Br)cc12 96273876 RHMOKTXKQNBUQC-UHFFFAOYSA-N 403.232 3.673 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100094081 AIFYZUPRRBLBLJ-VVVPJILLSA-N 416.546 3.986 0 1 HHAF O=C(O)C12C[C@@H]3C[C@@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 100508006 QLDVYFYGXPIVHC-TUKZGULFSA-N 413.905 3.889 0 1 HHAF CC[C@@H](CO)Nc1nccc(-c2ccn([C@@H](C)c3ccc(Cl)c(F)c3)c(=O)c2)n1 144874456 VRSWMZNGLRKWNW-BBRMVZONSA-N 416.884 3.890 0 1 HHAF Cc1cc(NC(=O)c2ccc(Cl)cn2)cc([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1F 226089314 OJWJKXCEPPILPQ-SZEPBZDZSA-N 424.810 3.629 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255287454 ZODJZVRYUQWYON-HUHPKSBCSA-N 422.606 3.537 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 299884615 UDDSWRHQPJXUDV-TUNNFDKTSA-N 424.884 3.745 0 1 HHAF COC(=O)c1ccnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 586984129 ILJKUQHGXDDEBW-INIZCTEOSA-N 415.291 3.692 0 1 HHAF CN1CCN(c2ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3c2)CC1 587002380 DQDCGVIOWLGNLR-UHFFFAOYSA-N 411.307 3.621 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587017386 VTSDMNXYEOQEIA-MRXNPFEDSA-N 406.533 3.568 0 1 HHAF NS(=O)(=O)c1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110310 REWHYUJROSSDDX-UHFFFAOYSA-N 423.338 3.839 0 1 HHAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)n2)cc1 587112147 JDAKJOUHAZPHAQ-UHFFFAOYSA-N 414.178 3.985 0 1 HHAF N=C(N)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587154881 UPDNBEZVJZAOFF-UHFFFAOYSA-N 403.417 3.671 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168297 HUDOHMXNABKNLT-UHFFFAOYSA-N 411.462 3.621 0 1 HHAF CC(=O)N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(C)cc1 587216653 IPWBFOBZPLMSFY-INIZCTEOSA-N 419.266 3.896 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc12 587241361 ZRPQBZRJPMLICI-UHFFFAOYSA-N 416.437 3.607 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)O2 587382026 MOGDIYOFXTZVNE-GOSISDBHSA-N 413.417 3.501 0 1 HHAF Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587537662 ADNOORMBLRDKGL-YJBOKZPZSA-N 413.227 3.835 0 1 HHAF CC(=O)OC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571353 NFAHWQHGGXKOEG-OFNKIYASSA-N 408.381 3.952 0 1 HHAF CCn1ncc(Cl)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587653507 ILUSNABZFPBIPT-UHFFFAOYSA-N 414.799 3.900 0 1 HHAF Cn1nc(C(F)(F)F)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658135 HULSILJENKDHOY-UHFFFAOYSA-N 416.334 3.643 0 1 HHAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccnc2[nH]1 587788311 XHLPOJJDXKDPOC-UHFFFAOYSA-N 421.409 3.932 0 1 HHAF COC(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811928 XXUNEZBHBNEVAL-FKIZINRSSA-N 422.294 3.938 0 1 HHAF CCOC(=O)CC[C@]1(C(C)C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697854 MJTLDHPDDZPUNI-MAUKXSAKSA-N 405.388 3.638 0 1 HHAF CCOC(=O)C[C@]1(c2cccnc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962719116 YDKHPKAKCHIHJC-VGSWGCGISA-N 400.519 3.781 0 1 HHAF COC(=O)C1CC2(C1)CC1(C2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963185718 SBWDSHBHAJRWQU-GOFUQTAJSA-N 417.811 3.516 0 1 HHAF Cc1cccc2c1[C@@]1(C(=O)Oc3ccccc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841303 KZIQDPMDDZXUCP-GYCJOSAFSA-N 423.465 3.794 0 1 HHAF C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc(Br)nc2S1 1772620079 AOLIECSILYWGQB-LBPRGKRZSA-N 410.215 3.883 0 1 HHAF COc1ccc(-c2cncc3nc(O)n(Cc4cc(OC)c(OC)c(OC)c4)c23)cc1 1857600772 UBIZZBHVNIFXOK-UHFFFAOYSA-N 421.453 3.887 0 1 HHAF CO[C@H]1CCCC[C@@H]1n1nc(Oc2cc(C(F)(F)F)ccn2)c2c(N)ncnc21 1911576203 BIFFFOUNWHBZKP-RYUDHWBXSA-N 408.384 3.745 0 1 HHAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)n1 2356301964 IYBZNZUQTFAROD-WMLDXEAASA-N 424.398 3.724 0 1 HHAF CNC(=N)NCC[C@]1(O)CC[C@@H]2[C@@H]1C[C@H](C1=CCC[C@@H]3CCCC[C@H]13)CC[C@]2(C)O 2356355858 IANOPMUQDBFUEJ-UVFYEUORSA-N 417.638 3.955 0 1 HHAF CC1=C[C@H](CN2CCC[C@@H]2CO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356485107 SXGRCAWNAYOVNS-DXBBTUNJSA-N 410.562 3.985 0 1 HHAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)Nc1ccsc1 2356837715 LMIKPUPDVJANLZ-UZKOGDIHSA-N 410.587 3.638 0 1 HHAF CCc1noc(C)c1C(=O)N1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1 12478223 QBBMHVJDODAESU-QGZVFWFLSA-N 413.518 3.503 0 3 HHAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 12494011 OEKUSRBIIZNLHZ-ZHDFXGGTSA-N 406.563 3.657 0 1 HHAF endogenous,in-man O=C1NC[C@@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(Cl)cc1 26573372 UPYGNSGQZHVOEJ-AWEZNQCLSA-N 415.696 3.558 0 1 HHAF C[C@@H]1CCC[C@H](COC(=O)N2CCCC2)N1S(=O)(=O)c1ccc(Cl)cc1 28816460 XQGCZQHDJLXOTG-GDBMZVCRSA-N 400.928 3.504 0 1 HHAF CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1 40972638 AFWLIBPUJKVHTI-UHFFFAOYSA-N 418.541 3.698 0 1 HHAF CCCCOc1ccc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C(=O)O)ccc2c1 72112920 LXWVSICUFJXLCV-UXHICEINSA-N 405.516 3.940 0 1 HHAF CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cc1 95561057 VUPNNRWKHABLJG-UHFFFAOYSA-N 407.449 3.821 0 1 HHAF O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 95869306 RUCIPOPFXCQXQT-YADHBBJMSA-N 410.945 3.681 0 1 HHAF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@@H]1C5 100880130 PAESXPKWFLPKAY-YUSVDLJSSA-N 402.494 3.573 0 1 HHAF C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)NC(=O)[C@]2(O)CC1(F)F 204922853 IBYJKUISEPSHIQ-KJQHQIRPSA-N 423.463 3.790 0 1 HHAF CCOC(=O)C1=C(Nc2cccc(C)c2)C(=O)N(c2cccc(C)c2)[C@@H]1C(=O)OCC 299827982 PQGSGMZTEMGTKQ-NRFANRHFSA-N 422.481 3.511 0 1 HHAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@@H]3[C@H]5[C@@H]4[C@H]31)N2CCCCNc1ccnc2cc(Cl)ccc12 299839887 TXOTZJORBMAIBE-DFIWTBNSSA-N 407.945 3.841 0 1 HHAF O=C(Nc1nc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cs1)c1cccs1 587020136 YCEFEYOUALLHFI-UHFFFAOYSA-N 402.432 3.761 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2c1 587049950 KKVSRTMEYQPZRI-UHFFFAOYSA-N 420.922 3.872 0 1 HHAF Nc1ncc(Cl)nc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587086845 NBYQKHAHROSIDE-UHFFFAOYSA-N 408.565 3.917 0 1 HHAF COC(=O)c1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411646 FTQHQVYUZLINEX-RDTXWAMCSA-N 403.228 3.733 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Cl)nn1)CC2 587551730 JBHPDTKKJCUXJK-LJQANCHMSA-N 423.856 3.836 0 1 HHAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 587554424 XIWAWEWOIAQLFU-GCJKJVERSA-N 407.809 3.879 0 1 HHAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1OC 587577801 LWSKPRKCCORURG-FDDCHVKYSA-N 407.422 3.869 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)CCC(=O)O)c2c1 587649207 LMMSHBSKRXPBQY-UHFFFAOYSA-N 419.886 3.868 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2C)N1 587682128 UNEOADFOZCCRKJ-CPFSXVBKSA-N 403.093 3.708 0 1 HHAF CCn1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587764440 PXFHLRKPHWRZAP-XRJHSEENSA-N 407.331 3.658 0 1 HHAF CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587799595 SPUKVCZEKOKDNS-RGIROJJOSA-N 412.299 3.640 0 1 HHAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CCN(C(=O)c3ccc(CN)cc3)CC2)N1 962962662 YHOPJLXYMUFKSU-IBGZPJMESA-N 402.542 3.682 0 1 HHAF Cc1cccc2c1[C@@H](c1[nH]nc3ncccc13)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905698 ZUOGLGMKEIUKJJ-QRWLVFNGSA-N 422.485 3.992 0 1 HHAF CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br 1772643061 ZCLLRMAUZWJJOZ-PSASIEDQSA-N 422.113 3.971 0 1 HHAF CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(F)(F)F)c2c[nH]nc2c1 1857581506 ONGWIICYVJHKJL-UHFFFAOYSA-N 403.357 3.899 0 1 HHAF COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@@H](C(C)(C)C)C2 1857775031 MFFBCFKMDSBJKI-OAQYLSRUSA-N 415.486 3.781 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CC[C@H](O)[C@@](C)(O)CO 2356318622 HJHZTWIWIGULGO-UPVQGACJSA-N 416.514 3.729 0 1 HHAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@](C)(CO)CCC[C@@]12C 2356437953 NMCFENXKFAREEU-BTRFTSHOSA-N 420.590 3.912 0 1 HHAF COC(=O)[C@]1(Cc2ccc3c(c2)CCC(C)(C)O3)OC(=O)C(O)=C1c1ccccc1 2356785459 AFQJNPHIZPDBIY-XMMPIXPASA-N 408.450 3.771 0 1 HHAF O=C1c2c(n(Cc3ccccc3)c(=O)n2Cc2ccccc2)C(=O)N1Cc1ccccc1 1626573 OGMWOFMTYNSORS-UHFFFAOYSA-N 423.472 3.543 0 1 HHAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc3c(c2)OCO3)cc1 3814604 DLXQYZVXNWRFSG-UHFFFAOYSA-N 410.373 3.690 0 1 HHAF CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCn1ccnc1 4902529 UGFZIYTVRGOEHF-UHFFFAOYSA-N 420.517 3.983 0 1 HHAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2n1 5093592 LFDIHGUJUJLZQP-DVOMOZLQSA-N 402.564 3.699 0 1 HHAF COC(=O)N[C@@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccc(Cl)cc1 7992369 DGZVFGGEVUBXGN-GDLUXTLDSA-N 402.878 3.974 0 1 HHAF CCCc1n[nH]c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13833904 LJOPGHFJTDAFMK-UHFFFAOYSA-N 416.485 3.977 0 1 HHAF COc1ccc(C2=NN(C3Cc4ccccc4C3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC 26567310 CGAFBDBSTQEQKJ-RTWAWAEBSA-N 402.494 4.000 0 1 HHAF CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 34801022 PLUNBASRAODYBA-INIZCTEOSA-N 413.468 3.803 0 1 HHAF Nc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1 40893789 LXFNZWVXJCVKEK-UHFFFAOYSA-N 421.464 3.771 0 1 HHAF CCC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 45255576 ATGNIAKOMZKQIA-QGZVFWFLSA-N 421.472 3.643 0 1 HHAF COC(=O)c1ccc2c(c1)nc(Nc1cccc(F)c1)n2C[C@H](O)c1ccccn1 45302852 WADVBQWFIHCBNU-FQEVSTJZSA-N 406.417 3.834 0 1 HHAF O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 82178418 UKIBVWOXDGWJLS-UHFFFAOYSA-N 416.485 3.711 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F 82209292 MWBKWOSJUUMXGU-SRABHYRGSA-N 416.537 3.975 0 1 HHAF COCON1C(=O)/C(=C/C(C)C)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O 84728016 XCHKKYXFJUEUEC-BHJKQYKASA-N 408.498 3.544 0 1 HHAF COCCn1c(SCC(=O)N(C)c2ccccc2)nc2c3ccccc3nc-2c1O 101944063 JWLSOJGWXVPCHL-UHFFFAOYSA-N 422.510 3.643 0 1 HHAF COc1cc(Br)c2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2 103043648 SYWSVJKJSMQVFW-UHFFFAOYSA-O 401.236 3.556 0 1 HHAF Cc1cc(-c2ccc3nc(Nc4ccc(S(C)(=O)=O)cc4)nn3c2)cc(C)c1O 117570492 PTZIRMCFVZWYTE-UHFFFAOYSA-N 408.483 3.866 0 1 HHAF CCN(CC)CCCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1 169348284 VXHZPRIZADWWCX-UHFFFAOYSA-N 417.517 3.775 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C34CC4)nn2-c2ccccc2)c1 169707282 HJZQBUUIAFEVQT-FQEVSTJZSA-N 414.509 3.957 0 1 HHAF O=C1CCc2cc(/C=C/C(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cnc2N1 198923318 CXTHEZRFDLOSGG-MZEUMTGBSA-N 402.454 3.875 0 1 HHAF CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)cnc1O2 200080884 CFGIPEFZRVYXID-HSZRJFAPSA-N 417.469 3.658 0 1 HHAF Cc1ccc(-n2nc(-c3cncc(F)c3)cc2NC(=O)c2cnn3cccnc23)cc1 203748237 PPXAHRHJMQLTRG-UHFFFAOYSA-N 413.416 3.677 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(CCO)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253708584 VOCNVBNHMPOAMF-KKKJUTNYSA-N 418.622 3.697 0 1 HHAF CCCOc1cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2cc1Br 586931426 SYRIFPMCUUFNBZ-UHFFFAOYSA-N 424.320 3.570 0 1 HHAF N[C@@H](N=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587064968 XLPHQLBUPBAPGN-FQEVSTJZSA-N 423.860 3.848 0 1 HHAF Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Cl)ncnc4[nH]3)o2)c1 587158239 UWISLPANPPEICD-UHFFFAOYSA-N 423.633 3.743 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2=O 587474282 DSTIVHPXPZUHNS-XMMPIXPASA-N 409.482 3.880 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587760422 YRYOJDDERIXUHB-LAIFVVEFSA-N 421.358 3.792 0 1 HHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587786511 QVMGOVCSQOSOJN-STQMWFEESA-N 415.243 3.967 0 1 HHAF CC(=O)[C@@H]1C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822870 MZVCPLKZBTVWMP-DJYLGPGLSA-N 402.263 3.768 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NS(C)(=O)=O)N1 587840156 JUSFTXREWOZLSS-DYZYQPBXSA-N 413.312 3.583 0 1 HHAF CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 1772580141 GCUYIMVZVRRUPD-ONEGZZNKSA-N 400.845 3.617 0 1 HHAF O=C(OCCCc1cccnc1)[C@@H]1CCCCN1C(=O)COc1ccc(Cl)cc1 1772635363 LJBANQFKUMEFQR-FQEVSTJZSA-N 416.905 3.671 0 1 HHAF CN(C)CCn1cc(-c2cccc(O)c2)c2c(N[C@H](CO)c3ccccc3)ncnc21 1857749686 VJIRRWJJEGTQTQ-OAQYLSRUSA-N 417.513 3.511 0 1 HHAF CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]21C 2356618744 GCQMZZDJVNUQJV-LTGNPOPGSA-N 408.535 3.998 0 1 HHAF COc1cccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)c1 61906829 LEQVQGVYOYHNSY-UHFFFAOYSA-N 414.465 3.947 0 3 HHAF C[C@@H](CNCCCn1ccc(NC(=O)OCc2ccccc2)nc1=O)c1ccccc1 61936077 RQRQTKVPOGAKDV-IBGZPJMESA-N 420.513 3.775 0 3 HHAF COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491950 FHXQVCILFRHOLQ-NRFANRHFSA-N 424.541 3.886 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC 4153862 GMWPUZKNIGFKEC-DJSBCALVSA-N 416.543 3.762 0 1 HHAF O=S(=O)(c1ccc2[nH]c(-c3ccccc3)nc2c1)N1CCn2c1nc1ccccc12 6733161 GVPBTTFKQNAFIJ-UHFFFAOYSA-N 415.478 3.789 0 1 HHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)c(F)c1 13588349 CKDCLWJCMBALQZ-UHFFFAOYSA-N 415.368 3.504 0 1 HHAF O=C(N1CCCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21 13745315 SEAZDODEJJKZNG-UHFFFAOYSA-N 410.865 3.989 0 1 HHAF O=C1NC[C@H](c2ccccc2)C12CCN([C@H]1CCCC[C@]1(O)c1ccc(F)cc1)CC2 13982646 BRKOVFUTTJGJEO-UMFSSWHCSA-N 422.544 3.952 0 1 HHAF C=C1C(=O)C2=C[C@H]1C[C@H](OC(C)=O)C(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2OC(C)=O 15116735 REDVWPQXGVFYQX-BKGYPRMNSA-N 416.514 3.727 0 1 HHAF biogenic CN(C(=O)CCCCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCC1 26939562 OIBJYESMSWIBEU-UHFFFAOYSA-N 412.534 3.541 0 1 HHAF COC(=O)CN1C(=O)C2(CCN([C@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)c2ccccc21 28528579 GSLPZHCOJZRJIT-ZCNNSNEGSA-N 410.558 3.899 0 1 HHAF CN(C)CCNc1cc(-c2ccccc2N2CCN(C)CC2)nc2ccc(F)cc12 28642023 RNLNWZISPNZTFA-UHFFFAOYSA-N 407.537 3.766 0 1 HHAF COc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)c(OC)c2ccccc12 28861878 RVNHMYBNNDTPOX-UHFFFAOYSA-N 419.525 3.955 0 1 HHAF CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 36177520 SXGXDDJDYSJBLC-LBPRGKRZSA-N 410.326 3.966 0 1 HHAF CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccn3ccnc3c2)ncc1C(F)(F)F 40379158 VTJSCBLLYSEYMD-HUUCEWRRSA-N 405.428 3.781 0 1 HHAF CCOC(=O)[C@]1(C)CN(C(=O)CN(CC)CC)c2c(C)c(Cl)c(C)c(C)c2O1 40955958 FFCLUGPNQQGHCU-NRFANRHFSA-N 410.942 3.654 0 1 HHAF CCN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1F 82153052 RVWYEKYWRYMSDH-UHFFFAOYSA-N 408.433 3.715 0 1 HHAF C[C@H](c1oc2ccccc2c(=O)c1-c1cccc(F)c1)n1cnc2c(N)ncnc21 95564496 LQJLKCJAFNRSIS-GFCCVEGCSA-N 401.401 3.930 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@](C)(O)[C@@H](C)C2 95915076 YBZZAVZIVCBPDJ-MYODQAERSA-N 416.470 3.602 0 1 HHAF biogenic,in-vitro CC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2Cc1ccc(F)cc1 100087570 CYXOCBKBXKNTFN-PMOLBWCYSA-N 403.295 3.787 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)C2CCOCC2)cn1 142659079 IBXUHBAAEUJVSO-UHFFFAOYSA-N 407.470 3.875 0 1 HHAF CC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)CC(=O)O 146715544 HHMPOMPVMCXSIV-UHFFFAOYSA-N 419.437 3.835 0 1 HHAF O=C(NCCCCCCNC(=O)N1Cc2cccc(Cl)c2C1)c1cccnc1 167034858 SJWVSCDFAJFCLE-UHFFFAOYSA-N 400.910 3.751 0 1 HHAF CC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(Br)C1=O 169332084 JHCOAWAGTYDIHB-UKTHLTGXSA-N 424.291 3.544 0 1 HHAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@H](C)NC4=O)nc2ccccc21 198643471 UJOPJGOMKOBTAA-KBPBESRZSA-N 401.470 3.956 0 1 HHAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C5CC5)c(NC5(C)CCC5)nc34)[nH]c21 223419455 WFTRLROTBYTPTM-GFCCVEGCSA-N 403.486 3.885 0 1 HHAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586886452 PRHHWPZUGVMWLD-CQSZACIVSA-N 413.499 3.989 0 1 HHAF CCc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1Br 586977655 OFXIVWKKDNLUEX-UHFFFAOYSA-N 408.321 3.805 0 1 HHAF COC(C)(OC)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341784 YLYVQXLCIRIZMW-GPZLUXPBSA-N 415.461 3.713 0 1 HHAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCOCC1 587519134 VCAJDMYDXPZXJJ-HSZRJFAPSA-N 421.493 3.895 0 1 HHAF O=C(CCc1ccccc1-c1ccc2c(O)nc(O)nc2n1)OCc1ccccc1 587560188 XPZNRAVVNSHJNJ-UHFFFAOYSA-N 401.422 3.779 0 1 HHAF CCn1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587581179 KLFBVBCNXCSHBW-AUFZPXFNSA-N 405.454 3.541 0 1 HHAF Cc1c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cnn1C 587622213 FJKYVRPEDVSGHR-UHFFFAOYSA-N 408.206 3.963 0 1 HHAF O=C([C@@H]1COc2ccccc2O1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661228 VAJLOQUFHZORCA-FQEVSTJZSA-N 402.381 3.683 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C 587827022 MSBHYFBZMWDAAR-CUZVYMRTSA-N 424.310 3.798 0 1 HHAF COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CCCCC1 653905237 UKXAGYJAGUMJOE-UYRXBGFRSA-N 406.482 3.888 0 1 HHAF C1=CC2(C=CN1c1ncccn1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962644630 WXVKSDCPXGWBIR-HSZRJFAPSA-N 407.521 3.966 0 1 HHAF CN1C(=O)S/C(=C\c2cc(Oc3ccc(O)nc3)c(O)cc2Br)C1=O 1857579350 CRDAKFYOOAMMCB-ACAGNQJTSA-N 423.244 3.714 0 1 HHAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 2356718672 CDTUVRQKZSSELK-ZJOUEHCJSA-N 423.523 3.878 0 1 HHAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1 7551159 UVHQDVPRCGNAJY-OAQYLSRUSA-N 408.454 3.732 0 3 HHAF CC[C@@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)cc1 4759676 YJLQBDQPQIUHKW-BIFSNJIPSA-N 424.497 3.823 0 1 HHAF N=C(N)c1ccc2c(c1)cc(C(=O)NCCCCCCC(=O)O)n2Cc1ccccc1 13764965 DYXYWFIGKLEXTG-UHFFFAOYSA-N 420.513 3.739 0 1 HHAF CC(C)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 13862658 HWYXZCQCAXCQOR-LJYZBVLISA-N 402.494 3.571 0 1 HHAF CC(C)c1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3ccccc32)cc1 34059953 ADYCVLZJDBHIQK-UHFFFAOYSA-N 411.571 3.749 0 1 HHAF CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 35951268 SXHDWOIPFGGJDK-QFIPXVFZSA-N 406.526 3.539 0 1 HHAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC[C@H](c2c[nH]c3cc(F)ccc23)C1 36237956 ASDKFOKSFQKONG-GAJHUEQPSA-N 407.489 3.899 0 1 HHAF CC(=O)Nc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(C)ccc12 40954919 UCBHJGKWEAXEKC-AWEZNQCLSA-N 417.469 3.930 0 1 HHAF C=CC1=C(C(=O)N2CCN(c3ccccc3OC)CC2)[C@@H](c2ccc(OC)cc2)OC1 82158205 CKNWANVTHGZQQP-XMMPIXPASA-N 420.509 3.607 0 1 HHAF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)sc1C 82164546 UFDCBCBSWOYQIM-OAHLLOKOSA-N 411.506 3.725 0 1 HHAF COc1cc2nc(N3CCCC3)nc(NCCCCCCN(C)C)c2cc1OC 95493506 HHONEURVDZIFJI-UHFFFAOYSA-N 401.555 3.781 0 1 HHAF CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C)c2n1 95559969 HJIKHQHEYOSXTJ-LJQANCHMSA-N 402.502 3.825 0 1 HHAF O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95893688 PTTVLLXGMCYJBL-SMIHKQSGSA-N 402.469 3.815 0 1 HHAF COC(=O)[C@@H]1[C@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 101037164 ZJFUMBPXVUQPSJ-BAESOJJISA-N 419.690 3.684 0 1 HHAF O=C(Cc1ccc(F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 205790655 GCUYSCRDNLRJNF-LADGPHEKSA-N 419.500 3.824 0 1 HHAF COC(=O)CC[C@@H](NC(=O)C[C@H](O)CCCCCCCCCC(C)C)C(=O)OC 238774354 UQURVAIEMADBIE-RTBURBONSA-N 415.571 3.515 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 299875089 CLRATSVFOFTHTP-JAXLGGSGSA-N 424.884 3.745 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 586907317 LICLBYLLDWTIQI-SECBINFHSA-N 403.232 3.693 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)OC)c(OC)c1)CC2=O 587486364 ZKFDTZMCOBKBBL-LJQANCHMSA-N 400.427 3.612 0 1 HHAF CCOC(=O)CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800694 YJSNMTGVOQSSBX-BBATYDOGSA-N 416.287 3.526 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 587849781 NSCFQBXXDYFNHF-VXJOIVPMSA-N 404.326 3.677 0 1 HHAF COc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 587932537 ZZXUNJFUOSRLSR-UHFFFAOYSA-N 423.494 3.972 0 1 HHAF N=C(N)NCCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21 1772578459 QMIZQBZZWWAZFT-UHFFFAOYSA-N 421.589 3.993 0 1 HHAF FC(F)(F)Oc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772618112 GBUTXEQZPUPFAH-UHFFFAOYSA-N 416.407 3.884 0 1 HHAF Cc1nc([C@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@H](O)C(C)C)n1 1772639598 QPONSQWOQBWVEK-GCKMJXCFSA-N 417.517 3.521 0 1 HHAF Nc1nc(-c2ccc(OCc3ccccc3)cc2)cn2c(=O)n(-c3ccccc3)nc12 1772648677 KKJMQBKYGSOHGL-UHFFFAOYSA-N 409.449 3.708 0 1 HHAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CCCCC2=O)cc1 12224866 GDIGYZGCJSKALF-HXUWFJFHSA-N 408.546 3.676 0 3 HHAF CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc1 27859662 UTKVKYWAOULRJL-PBFPGSCMSA-N 424.485 3.526 0 1 HHAF CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 34010879 BMYAZXYKGLUORG-FQEVSTJZSA-N 405.498 3.907 0 1 HHAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ncnn1Cc1ccccc1 45288714 XRUFFVGQHMYRJA-MRXNPFEDSA-N 410.952 3.717 0 1 HHAF O[C@@H]1CN(C2CCC3(CC2)OCCO3)CCc2cc(OCc3ccccc3)ccc21 64559965 GFHXCYICQJUPOX-XMMPIXPASA-N 409.526 3.843 0 1 HHAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCCc3ccccc3)c2cc1OC 82127760 WKACSMUZUKDGAW-SFHVURJKSA-N 422.529 3.510 0 1 HHAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC(N4CCCC4)CC3)ncc2C)C1 82204078 POHNNCLJEVNWOD-QKNQBKEWSA-N 401.599 3.855 0 1 HHAF O=C(c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1)N1CCC1 84670562 QJMNPQQZDBHAIW-UHFFFAOYSA-N 411.575 3.506 0 1 HHAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 95562322 YOFIQLQDWMBWFW-UHFFFAOYSA-N 404.904 3.995 0 1 HHAF COc1ccc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)cc1 103170097 AGJHJOPVLFDHRL-LJQANCHMSA-N 410.536 3.999 0 1 HHAF CCCCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 109206706 CRBWSCQTBBPMTG-NHCUHLMSSA-N 409.482 3.933 0 1 HHAF Cc1ccc2cc(Cc3nc(C(=O)NCc4c(C)cc(N)nc4C)co3)ccc2n1 114078646 DCCOZLDILLONDD-UHFFFAOYSA-N 401.470 3.646 0 1 HHAF N#Cc1cnc(C(=O)Nc2ccc(C3(CO)CCOCC3)cc2C2=CCCCC2)[nH]1 146876044 HMNJZNNXXVJVLX-UHFFFAOYSA-N 406.486 3.532 0 1 HHAF O=C(Nc1ccc(C2CCN(C[C@@H]3CCOC3)CC2)cc1)N1Cc2ccncc2C1 166515923 YGAVZQJWDHDHGF-SFHVURJKSA-N 406.530 3.845 0 1 HHAF O=C(O)CNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167788099 NQLGGQDUSIDUJW-UHFFFAOYSA-N 421.434 3.706 0 1 HHAF O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]1SCc1cccc(C(F)(F)F)c1 169693700 MSGLHUFUUVASIA-GOSISDBHSA-N 423.412 3.647 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)n1 205147844 VXBCBCASQHFSAS-SWLSCSKDSA-N 412.425 3.820 0 1 HHAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccc4c(c3)CCO4)C[C@H]2CS1 217119043 LVYIZOZZLBROIC-ZKYUUJBMSA-N 402.466 3.934 0 1 HHAF CC1(C)CN(c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)C(=O)c2c(N)ncnc2O1 261077256 BBTARKXAWLHLPD-SHTZXODSSA-N 424.501 3.625 0 1 HHAF COC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1OC 587144634 PAQXBCCAUPYDQQ-CYBMUJFWSA-N 422.254 3.502 0 1 HHAF COc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(I)c1 587179963 KGFUZOWBEWPYHQ-UHFFFAOYSA-N 412.158 3.680 0 1 HHAF CN1CCN(c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)CC1 587205339 PQVUVSXJSLUBIH-IBGZPJMESA-N 415.582 3.797 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1N1CCNCC1 587592048 HFJZJMNRDYOLNK-XUZZJYLKSA-N 402.450 3.505 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587727402 CHIYKORRDVBXKG-AYLIAGHASA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N(C)C)N1 587739411 GWJWIYLGJLDRKX-ODXCJYRJSA-N 421.310 3.679 0 1 HHAF COc1ccc(OCC(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587788882 AHNNFEDQKSBAFB-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF O=C(NCCCC[C@H](O)C(F)(F)F)c1nc(-c2nccs2)sc1C1CC1 653704170 GBPHFTRLBOABLQ-JTQLQIEISA-N 405.467 3.967 0 1 HHAF Cn1ncc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1-c1ccccc1 962967433 NDSTVMUKZIATFC-QAPCUYQASA-N 403.816 3.707 0 1 HHAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 1772637722 IWPQXLPVRVLKEQ-RHSMWYFYSA-N 407.436 3.998 0 1 HHAF COc1ccc(N2N=C(C)[C@H](C(=O)Nc3cccc(C(C)(F)F)c3)C2=O)cc1OC 1857588603 ZAXTYABCDPAXMO-GOSISDBHSA-N 417.412 3.793 0 1 HHAF CCOC(=O)C1=C2CCCN2C(c2cnn(C)c2)=N[C@H]1c1ccc(F)cc1Cl 1857631839 UEOFWLWPXMONFD-SFHVURJKSA-N 402.857 3.627 0 1 HHAF O=C(O)CCc1ccc(OC[C@@H]2COc3ccc(Br)cc3O2)cc1F 1857656075 GPUXLVHEZFSPAZ-CQSZACIVSA-N 411.223 3.824 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](C)[C@H]3O 2356811994 BHHUWPSLCSJSDB-LKJDPZNYSA-N 422.606 3.695 0 1 HHAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)NCc2ccc3c(c2)OCO3)cc1 61906776 GDVWCMDVSJJSSR-RUZDIDTESA-N 422.525 3.563 0 3 HHAF CN(C(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CCC1 61958653 BHQUGIOBKMAYAC-KRWDZBQOSA-N 415.534 3.897 0 3 HHAF COc1ccc2nc3oc(C(=O)N4CCN(c5ccccc5OC)CC4)cc3cc2c1 4907370 ITAPSISDZJSRKB-UHFFFAOYSA-N 417.465 3.961 0 1 HHAF O=C(/C=C/c1c(C(=O)O)[nH]c(Br)c1Br)Nc1ccccc1 13778837 UGNTUUQTMNBWLV-VOTSOKGWSA-N 414.053 3.890 0 1 HHAF COc1ccc(Br)c(O)c1C(=O)NC1CCN(Cc2ccccc2)CC1 13820627 LEKQMKPPEAGNOX-UHFFFAOYSA-N 419.319 3.558 0 1 HHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1 36475661 OYVCLLCTQUHVCE-INIZCTEOSA-N 402.498 3.723 0 1 HHAF CC(=O)O[C@H]1C[C@@]2(C)C3=C(C[C@H](OC(C)=O)[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)C(=O)OC3 59110246 RTPXSUTVUHNKEI-ZEQQQVMLSA-N 418.530 3.966 0 1 HHAF CC(C)OC(=O)N1CCC([C@H](C)CNC(=O)Cc2c(F)ccc(F)c2F)CC1 66073964 YOVLZIDAFGCSGF-CYBMUJFWSA-N 400.441 3.656 0 1 HHAF C[C@@H](c1oc2ccccc2c(=O)c1-c1cccc(F)c1)n1cnc2c(N)ncnc21 95564495 LQJLKCJAFNRSIS-LBPRGKRZSA-N 401.401 3.930 0 1 HHAF O=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 96938052 VGLQUKSDPVKGRT-IBGZPJMESA-N 418.324 3.616 0 1 HHAF CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 103203362 OTDJXAUVSKUCAH-OAQYLSRUSA-N 423.513 3.628 0 1 HHAF COc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 103276757 BOYUHPHGPUPZAN-UHFFFAOYSA-N 420.509 3.834 0 1 HHAF Cc1cccc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)n1 103292383 YMVCIKFKXUMOQG-UHFFFAOYSA-N 403.463 3.636 0 1 HHAF O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@@H](C4)C3)c1=O 143917995 OZNDXFHVAUDQDB-VCQUBBKDSA-N 419.525 3.841 0 1 HHAF O=C(C[C@@H]1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21)NCc1ccco1 169325632 WXUASMCUCJXLCA-CQSZACIVSA-N 401.825 3.532 0 1 HHAF CCCOc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 169709824 XBOSVPKOFFBDKM-HNAYVOBHSA-N 401.482 3.864 0 1 HHAF Cc1csc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc12 220129634 ZDAMMJRLYKBLJC-UHFFFAOYSA-N 424.570 3.796 0 1 HHAF C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C[C@H](C)O1 224793504 NVVMZBWPVNUHJS-GJZGRUSLSA-N 406.461 3.781 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@@H](C(=O)O)[C@@H]4C)-c1ccccc1C2=O 587102149 SMDWKQPDMZTRIE-KCTSRDHCSA-N 401.418 3.816 0 1 HHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587112396 JGSTYSLNRBZOLD-HXUWFJFHSA-N 418.419 3.683 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587196629 WPUDRCOHFJYYHQ-HNNXBMFYSA-N 400.548 3.859 0 1 HHAF CCCCC[C@]1(CC(=O)N[C@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512841 PUAVOOHPJIKAAB-YADARESESA-N 413.514 3.672 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCOCC2)c1 587593565 KJVHLHUMEDPUFY-RCZVLFRGSA-N 417.461 3.927 0 1 HHAF COC(=O)c1ccc(-n2c(O)ccc2OCc2ccccc2)c(O[C@@H]2CCOC2)c1 587924875 MHJVCUSSMICTAF-GOSISDBHSA-N 409.438 3.716 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H]4CCC(=O)[C@@H]4C)[nH]c3c2)cc1 587963623 PJTZKYYZIDPJEO-ZIAGYGMSSA-N 413.499 3.530 0 1 HHAF Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 653850176 ORKBDPRQJKIQTC-UHFFFAOYSA-N 423.904 3.881 0 1 HHAF OCCCCCNc1nccc(NCCNc2ccnc3cc(Cl)ccc23)n1 653858787 XXQWACLUILBJKC-UHFFFAOYSA-N 400.914 3.777 0 1 HHAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962935150 YXQVWAJYKHMYJO-NRFANRHFSA-N 405.498 3.590 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCc3cc(F)c(F)c(F)c32)N1 962979484 SKWDSWQMNSGMIU-ZMZPIMSZSA-N 403.734 3.824 0 1 HHAF CC(=O)Oc1cccc([C@@]2(c3cccnc3Cl)NCCc3c(C(=O)O)cccc32)c1 963120238 FOFFIGRHYAALTR-HSZRJFAPSA-N 422.868 3.796 0 1 HHAF CCc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 1857599875 VMFMCDJLBJWACL-UHFFFAOYSA-N 406.463 3.850 0 1 HHAF O=C(O)[C@H]1C2CCC(CC2)[C@@H]1n1cnc2cnc(-c3c[nH]c4ncc(F)cc34)nc21 1857618797 RSBRJNASPIIEKH-VOGSPBGVSA-N 406.421 3.571 0 1 HHAF Cc1ccc(-n2ncc(C(=O)O)c2NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 1857653448 PCRYFLPUVNHTPF-UHFFFAOYSA-N 403.394 3.546 0 1 HHAF O[C@H](Cn1ccnc1)c1ccc(OCc2ccc(I)cc2)cc1 1857744536 APIPHCUPGSYYMY-GOSISDBHSA-N 420.250 3.800 0 1 HHAF N[C@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5cccnc45)c3c2)C1 1857747348 NMQKWQSHBDMICR-HOTGVXAUSA-N 400.486 3.733 0 1 HHAF O=C(Cc1nsc2ccccc12)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 1857765054 DXQFYEUHNLIBNK-GOSISDBHSA-N 403.916 3.798 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2F)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356466975 YQXLHFLNHBLJFI-ZDXQCDESSA-N 411.521 3.594 0 1 HHAF COC[C@@H]1Cc2cc3c(c(OC)c2[C@@H](c2ccc(C)c(OC)c2)[C@H]1COC)OCO3 2356483675 SIDNXAMGLBBNGO-WFXMLNOXSA-N 414.498 3.954 0 1 HHAF COC(=O)CC[C@@H](C)[C@@H]1C[C@H](O)[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356823651 GNGSNCPQCZJNBI-ZMZSXHQCSA-N 422.606 3.537 0 1 HHAF CCCNC(=O)c1ccc2c(=O)c(O)c(-c3cccc(Br)c3)[nH]c2c1 15952299 ZCQIFBDQOPZXLU-UHFFFAOYSA-N 401.260 3.803 0 3 HHAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 36384245 LYCJMXZZQOPXRM-FXAWDEMLSA-N 408.454 3.555 0 3 HHAF CCc1c(O)n(C2CCCCC2)c(SCC(=O)Nc2ccc(OC)cc2)nc1=O 101664628 ZEOPMFVLUPUERT-UHFFFAOYSA-N 417.531 3.756 0 3 HHAF aggregator COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccccc32)cc1 1616293 GCTODLXJJIVTIV-QPPBQGQZSA-N 403.434 3.510 0 1 HHAF NC(=O)C1CCN(C(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)CC1 4176237 HXKSLRDQZVLXFX-UHFFFAOYSA-N 417.962 3.583 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4208405 UDDSWRHQPJXUDV-VWPQPMDRSA-N 424.884 3.745 0 1 HHAF COc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)C[C@@H]2c2ccccc2)cc1 5541987 QJYYTKPLABDMRQ-OAQYLSRUSA-N 420.513 3.797 0 1 HHAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N32)cc1 6762248 QQEXNVZJBRPZLC-ZJSXRUAMSA-N 417.509 3.517 0 1 HHAF biogenic CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OC[C@@H](NC(=O)c1ccccc1)C(C)C 14856643 YYJRAGPDSYXARF-BWAGFHJFSA-N 424.541 3.829 0 1 HHAF biogenic COc1cccc(N2CNC(=O)C23CCN([C@H]2Cc4cccc5cccc2c45)CC3)c1 26395963 KYEGXXGTSVOJRL-QHCPKHFHSA-N 413.521 3.874 0 1 HHAF CCOC(=O)[C@@H](Nc1ccc(C(=N)NO)cc1)c1cc(OCC)cc(OCC)c1 28529345 IEHLXBYVNXIKGR-IBGZPJMESA-N 401.463 3.504 0 1 HHAF C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C 45323975 YVSLPYQTEBIJSI-IIBYNOLFSA-N 410.539 3.623 0 1 HHAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]12 58608415 PMJIUNUHZLTRMR-QMKUDKLTSA-N 401.507 3.641 0 1 HHAF Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4Cl)CC3)C2)cs1 64540027 LYQGZYIUMYUMCO-UHFFFAOYSA-N 405.951 3.612 0 1 HHAF CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1Cc1cccnc1 82083024 DVOAMCLGKAVNLW-UHFFFAOYSA-N 420.473 3.686 0 1 HHAF CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCCN1CCCC1=O 82178567 PZTILTCBHYLYTN-UHFFFAOYSA-N 406.534 3.649 0 1 HHAF CC(C)n1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82205084 HTWQVZAOMYRUNG-SFHVURJKSA-N 412.534 3.673 0 1 HHAF O=C(Nc1noc2ccccc12)N1C[C@H]2C[C@@H]1CN2c1nc(-c2ccccc2)ns1 95582718 DRKWHSZFWNHTMH-HUUCEWRRSA-N 418.482 3.841 0 1 HHAF CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O 95603482 PKDDEKWAXOEWTM-SFHVURJKSA-N 411.554 3.809 0 1 HHAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCCc2ccccc2)c(OC)c1 96928000 SLTUDWRZOIMYHS-JOCHJYFZSA-N 424.497 3.898 0 1 HHAF CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(-c3nc(C(C)C)no3)cnn12 115650121 CJIWAPAKTUAZDV-QHCPKHFHSA-N 419.485 3.966 0 1 HHAF CCC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 141938873 HSCHICQAZGKSML-OXQOHEQNSA-N 421.497 3.998 0 1 HHAF CCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 149866397 FQEXCVFLNODSOS-UHFFFAOYSA-N 410.909 3.979 0 1 HHAF CN1CCN(CCCN2C(=O)/C(=C/c3ccccc3)Oc3ccc(Cl)cc32)CC1 169324439 BGXRLTVJKYYRIV-JWGURIENSA-N 411.933 3.744 0 1 HHAF COC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 169703412 OYOXDRLGJIXDMU-UHFFFAOYSA-N 402.458 3.679 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCC(O)CC1)C(=O)N2 219346682 DWFIOWFVXYAHAC-DEOSSOPVSA-N 403.482 3.611 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cnccc3[nH]2)c1 586930548 LJTMGRZNWQSDAW-UHFFFAOYSA-N 413.547 3.646 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079386 DFYVSTRQEDMSMJ-GOSISDBHSA-N 405.907 3.923 0 1 HHAF O=C(CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587163930 VMTJQOJBQXXOTO-UHFFFAOYSA-N 400.353 3.811 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)O2 587395835 OQZZVONLDMARIO-CHMLTUNVSA-N 401.507 3.715 0 1 HHAF COC(=O)COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597618 VAPKSERBECIFEJ-ZJSXRUAMSA-N 420.417 3.821 0 1 HHAF CCOc1ccc(-c2nn(C(=S)NC3CC3)c(=O)c3ccccc23)cc1OCC 587670171 IITXNAFMAYWYTM-UHFFFAOYSA-N 409.511 3.746 0 1 HHAF COc1ccc(OC)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1OC 587790566 CTELEOYRRSEBBH-UHFFFAOYSA-N 407.220 3.716 0 1 HHAF COc1ccc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(O)c2)cc1OC 587928044 WWAOKHPBCQCWIM-UHFFFAOYSA-N 414.425 3.595 0 1 HHAF OC[C@@]1(c2ccc(F)cc2F)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640623 RBGMNOJTWAQDMC-BWKNWUBXSA-N 406.476 3.948 0 1 HHAF COc1cc(Cl)c([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962964151 JKFDDDRQSDKSMT-SJCJKPOMSA-N 418.223 3.977 0 1 HHAF CCn1cc([C@@]2(C(F)F)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963184764 UAGJAONVPYSYSK-XJKSGUPXSA-N 423.769 3.683 0 1 HHAF COc1ccc(C(=O)[C@H](F)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772589604 ZOVQGYYIWZWHNI-FPOVZHCZSA-N 423.506 3.675 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCCc1cccnc1)CC3 1772600253 UPGLVPROCCMJTH-IBGZPJMESA-N 416.550 3.591 0 1 HHAF O=C(CN1CCCCC1)NCCN=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12 1857596397 WZJLNDHKXMXSJQ-BUHFOSPRSA-N 414.553 3.841 0 1 HHAF CC(C)=CCc1ccc(O)c2c1[C@@H](c1cc(C)cc3c1O[C@H](C(C)(C)O)CO3)NC2=O 2356323863 FMZQVUPZAJIUSS-SIKLNZKXSA-N 423.509 3.953 0 1 HHAF CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1csnn1 4570771 LWMRUOXGUUPZOL-QGZVFWFLSA-N 414.556 3.898 0 3 HHAF CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758625 OFHHSDBMQAURDR-GOSISDBHSA-N 415.534 3.576 0 1 HHAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 2489296 VJFZQYUUDPEAGF-WIYYLYMNSA-N 417.594 3.519 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@H]12 4236468 WPAHMEUHQURAGX-WJFTUGDTSA-N 422.403 3.579 0 1 HHAF biogenic Cc1nc2cc(NC(=O)[C@H]3CC34CCN(C(=O)c3cccnc3)CC4)ccc2s1 12135559 BJUNJEWUMLOJOV-QGZVFWFLSA-N 406.511 3.881 0 1 HHAF CCN1CCc2c(sc(NC(=O)C(C)C)c2C(=O)c2ccc3c(c2)OCO3)C1 13442779 JTJFVWNXJKYYCQ-UHFFFAOYSA-N 400.500 3.680 0 1 HHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCNC(=O)[C@H](CP(=O)(O)O)C(=O)O 13742377 RQKHKVWBMFOTOZ-GCVUPTOQSA-N 415.467 3.790 0 1 HHAF C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O)C(=O)O 14976912 XKZHNFLHDHLLRG-JLPMOYFVSA-N 422.606 3.695 0 1 HHAF O=S1(=O)N=C(Nc2ccccc2OC(F)(F)F)Nc2c(O)cc(Cl)cc21 28822735 KBFUWLNJDXWAPQ-UHFFFAOYSA-N 407.757 3.527 0 1 HHAF CCN(CC)CCCNC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O 31847932 RBGXBFFPAOGXPN-UHFFFAOYSA-N 423.557 3.844 0 1 HHAF CCCCc1ncc(/C=C2/C(=O)NC(=O)N2CCCC)n1Cc1ccc(C(=O)O)cc1 36222421 AUXPIJYABCNQJF-UYRXBGFRSA-N 424.501 3.665 0 1 HHAF Cn1c(CN2C[C@@H]3C(COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2cnccc21 40943399 VATWUHJOCAJJQN-SJPCQFCGSA-N 402.420 3.744 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 66136617 FFPFPZSCNMVKJQ-KBARZSOFSA-N 420.303 3.699 0 1 HHAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(OC)cc3)cc21 72114180 UULHXCBKGQSPHP-GOSISDBHSA-N 411.454 3.525 0 1 HHAF CN(C)C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1 73280879 JDJSPHQNBFVVDK-UHFFFAOYSA-N 400.442 3.971 0 1 HHAF O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 95894465 NRCUBNRGHKUPJF-VSKRKVRLSA-N 423.488 3.723 0 1 HHAF O=C(COc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(F)cc1 100624454 HCULVCZZLOBHCK-XWOVPUAZSA-N 417.436 3.645 0 1 HHAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccnc(N2CCCCC2)c1 117586762 MNNGUNLDGXUMED-UHFFFAOYSA-N 409.534 3.583 0 1 HHAF COc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 169338800 KLDVBUSQZRJHLA-BDTNDASRSA-N 410.543 3.775 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC(C)(F)F)cn3)C2)cc1 169709323 XWHSXBDVQMAMNT-YWZLYKJASA-N 419.472 3.970 0 1 HHAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccc(F)c3[nH]2)c1 586951191 KIRLLZBEVMYNAA-UHFFFAOYSA-N 410.268 3.572 0 1 HHAF FC(F)(F)c1ncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2[nH]1 587019036 SXCFMZWWSGMOIW-UHFFFAOYSA-N 419.388 3.809 0 1 HHAF COc1ccc(-c2nnc(-c3ccc4nc(-c5nc(Cl)cnc5N)[nH]c4c3)o2)cc1 587086823 MQJWEFWIUQQPFO-UHFFFAOYSA-N 419.832 3.981 0 1 HHAF FC(F)(F)CCc1ocnc1-c1nc2cc(I)cnc2[nH]1 587093148 WLOITQOGHQDKIB-UHFFFAOYSA-N 408.121 3.712 0 1 HHAF COC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC(OC)(OC)C1 587107309 QMSQFLULJDTXRR-UHFFFAOYSA-N 403.434 3.640 0 1 HHAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Br 587547620 QPAWMLATZFDELP-WMLDXEAASA-N 401.216 3.591 0 1 HHAF C[C@@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578878 BRVWXVABUWVNJN-QPPBQGQZSA-N 413.433 3.909 0 1 HHAF COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623618 JYIPZLIMGXRZRV-INIZCTEOSA-N 414.219 3.849 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1ccccc1)N(C)[C@@H]2C 587772077 UZQVTCUMNSSKKE-IZDJOXEWSA-N 418.310 3.600 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 587840908 OEWCWZITZRITMK-DYZYQPBXSA-N 413.312 3.583 0 1 HHAF CC(C)Oc1ccc(OC(C)C)n1-c1nn(-c2ncccn2)cc1Br 587941254 TUTVSFVWDLSGBE-UHFFFAOYSA-N 406.284 3.790 0 1 HHAF CCOC(=O)[C@@H](COC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(F)cc1 653732518 QHGPIRYMBAKOPB-VQANOXKBSA-N 402.418 3.746 0 1 HHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccnn2-c2ccc(F)cc2)N1 962638407 TWHVJRWGPJRVAP-RDTXWAMCSA-N 421.350 3.598 0 1 HHAF Fc1ccc([C@@]2(C3CNC3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962955563 LDNQXVNVLSBIQC-QFIPXVFZSA-N 420.450 3.959 0 1 HHAF COc1ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1ccc(F)cc1 1772612665 PHYXKVPKHJGFOT-LAJNKCICSA-N 402.441 3.509 0 1 HHAF Cc1ccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)c(F)c4)[C@H](F)C3)C2=O)cc1 1772617815 UMMNFALVRYANIF-CEWLAPEOSA-N 400.469 3.768 0 1 HHAF Cc1ccc(CN2CC[C@H](N3CC[C@@H](c4ccc(O)c(F)c4)[C@H](F)C3)C2=O)cc1F 1772631288 YPQRZBTXPBZJBN-WMQCIHAUSA-N 418.459 3.907 0 1 HHAF COc1ccc2c(=O)cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[nH]c2c1 1857765096 SULOYNMFUTYGFY-UHFFFAOYSA-N 419.525 3.569 0 1 HHAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccc(C(F)(F)F)cc3)n2)=CN1 2356843196 UTNBZAFGDUENQV-KRWDZBQOSA-N 418.443 3.977 0 1 HHAF COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 4052969 HLMFGNQDKQSLSF-JTHBVZDNSA-N 420.465 3.748 0 1 HHAF COc1ccccc1N1CCN(C[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 13802801 ZJZSRDZIENVXMD-YHLJFGAHSA-N 411.590 3.538 0 1 HHAF COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCCCc3ccccc3)C4)c2n1 28817531 BVTOOTVTOCQTOZ-HXUWFJFHSA-N 413.525 3.904 0 1 HHAF CNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(NS(C)(=O)=O)cc2)cc1 29406862 HHZIDVRKOSETDY-UHFFFAOYSA-N 410.421 3.971 0 1 HHAF OCC1=C[C@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@@]1(CC/C=C\CCCCN[C@@H]12)C3 34105569 JTIJGTARYKLTGJ-DEHCSKHPSA-N 414.634 3.957 0 1 HHAF O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2cc(F)ccc2c1 66058789 PXOJJCCSYAVCPK-UHFFFAOYSA-N 405.433 3.506 0 1 HHAF COc1cc(OC)cc(Oc2cc(NCCc3cc(OC)ccc3OC)ncn2)c1 82067623 UGQLTQWLMICKDG-UHFFFAOYSA-N 411.458 3.958 0 1 HHAF CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82204792 DACZLEUVHNJVMR-SFHVURJKSA-N 412.534 3.502 0 1 HHAF CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(=O)O 95603263 JGZWLGNFSYAFSU-GFCCVEGCSA-N 403.533 3.872 0 1 HHAF CCCCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142962614 JGZQUKKFHYQNLD-LLVKDONJSA-N 402.392 3.745 0 1 HHAF O=C(Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)N1Cc2ccncc2C1 167163720 PMWYRRTYDYGYFM-UHFFFAOYSA-N 408.483 3.571 0 1 HHAF COc1ccc(OC)c(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c1 225044889 JVNCXJIHFMDLBN-UHFFFAOYSA-N 422.466 3.510 0 1 HHAF Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@@]13C[C@H]4C[C@@H](C[C@H]1C4)C[C@@H]23 254194485 YZXGXCSVJCWIGP-MNNPZDGLSA-N 409.574 3.661 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cccc(F)c1 261127412 KMMFPNVIGDZHSF-SFHVURJKSA-N 412.392 3.981 0 1 HHAF COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 299872571 DLYVTEULDNMQAR-PCRWFWJGSA-N 422.606 3.537 0 1 HHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586999907 FQKNJAWVHBUPLO-NSHDSACASA-N 411.263 3.631 0 1 HHAF O=S(=O)(Nc1ccsc1-c1nc2ccc(CO)cc2[nH]1)c1ccc(F)cc1 587170855 UVCRZWWBMDDKMA-UHFFFAOYSA-N 403.460 3.724 0 1 HHAF O=C(O)c1cc(Br)cc2nc(-c3cc(Br)cnc3F)[nH]c12 587177987 KOHGHBZEMRFHBH-UHFFFAOYSA-N 415.016 3.987 0 1 HHAF Cn1ccnc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344163 WCIZDNMXSDRJKB-ZJSXRUAMSA-N 415.424 3.963 0 1 HHAF COC(=O)c1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349405 UPVQKMFSZNQIAI-GCJKJVERSA-N 411.385 3.889 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1sc(Br)c4c1OCCO4)[C@@H](C2)C3=O 587450258 IGIQARUZPXKVLI-ZANVPECISA-N 409.257 3.779 0 1 HHAF O=C(O)CCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518500 JMRAZOIQQAHTMN-XMMPIXPASA-N 405.450 3.638 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(Cl)c1F 587572461 VEWFSKMQNYNXOY-YCRPNKLZSA-N 411.772 3.994 0 1 HHAF COc1ccc(N)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC 587746865 ILPYOJOIFBTXBZ-DGIBIBHMSA-N 409.299 3.985 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2nccn2C)N1 587751734 AOCKZAWMRXDGJI-BLVKFPJESA-N 401.283 3.543 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 587753018 GZJXUXDYDJVPBU-YUNKPMOVSA-N 415.310 3.730 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 587846596 UYTLDWCVAUYHAK-CWTRNNRKSA-N 424.335 3.934 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCCN(C(C)=O)C1 587866545 MXDIKBRYAIPUFT-HNNXBMFYSA-N 409.408 3.866 0 1 HHAF CCCCNC[C@]1(c2ccc(O)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962763453 KPCPUPLEUOPTOV-PZJWPPBQSA-N 406.448 3.671 0 1 HHAF COc1cc(Br)cc2c1OCC([C@H]1NCCc3nc4ccccn4c31)=C2 962985694 QVCVLQLHFFVAAF-GOSISDBHSA-N 412.287 3.768 0 1 HHAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(C[C@@H](c3ccccc3)C2)NCCc2nc3ccccn3c21 962988444 OBTMMABKYHYOFY-SSOJOUAXSA-N 412.493 3.788 0 1 HHAF CCC[C@@H](C)C[C@@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963705983 SSKXYETWOQXXFK-WBLPJHHHSA-N 424.541 3.668 0 1 HHAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)Cc1cnccn1 963856218 URCIJUISNXUWML-WZONZLPQSA-N 411.502 3.879 0 1 HHAF COc1ccc(S(=O)(=O)N(Cc2ccc3c(n2)CCC(C)(C)O3)C2CCC2)cc1 1772616889 OIJLLTSWXASFQL-UHFFFAOYSA-N 416.543 3.937 0 1 HHAF Nc1ncc([C@H]2CCC[C@@H](O)C2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772628127 IQQUSSUTMPKDFJ-FUHWJXTLSA-N 420.488 3.813 0 1 HHAF Cc1onc(CNC(=O)c2c3c(c(Cl)n2C)CC(C)(C)CC3)c1Cn1cccn1 1857758870 GSMBBFLAEIUAQY-UHFFFAOYSA-N 415.925 3.665 0 1 HHAF CC1(C)CCC[C@]2(CO)[C@@H]1CC[C@]1(C)[C@@H]3C[C@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)CC[C@@H]21 2356399433 VLUSLHNYJYPIJY-DEDCKVDNSA-N 418.574 3.560 0 1 HHAF CC(C)=C[C@@H]1OC(=O)C(=CCCC(C)=CCCC(C)=CCOC(=O)C[C@H](C)O)[C@@H]1O 2356527537 DXDOQWITBDCYOY-RRPUWOKSSA-N 420.546 3.932 0 1 HHAF O=C(NCCc1ccccc1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 5135440 XDFYASOGGIYGCJ-UHFFFAOYSA-N 407.539 3.750 0 3 HHAF COC[C@@H]1CCCCN1C(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 11874519 HCTBXGAUXMAYOL-IBGZPJMESA-N 404.551 3.588 0 3 HHAF O=S1(=O)[C@@H]2C[C@@H]3O[C@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 13830976 DZSBJQYROJIKMG-VNTMZGSJSA-N 407.894 3.708 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCCc1ccncc1)CC3 14986848 MJJSVRBBBNZPSQ-LJQANCHMSA-N 416.550 3.591 0 1 HHAF COc1ccc2c(c1)[n+]([O-])c(C(=O)c1ccc3ccccc3c1)c(C(F)(F)F)[n+]2[O-] 28865529 PPEPTAWLKAZMPJ-UHFFFAOYSA-N 414.339 3.518 0 1 HHAF Cc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 40394696 NRZIRCFWEUKUBP-UHFFFAOYSA-N 418.541 3.580 0 1 HHAF COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N[C@@H](C)CO)c1 40933763 QTZXGNPKDGLIOA-AWEZNQCLSA-N 416.522 3.912 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)CNCc2ccccc23)nc1 45495860 GYKGIINXSOHHAI-UHFFFAOYSA-N 413.525 3.558 0 1 HHAF CCCOc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 64548662 ASXRMCQWZWYZGG-UHFFFAOYSA-N 417.473 3.738 0 1 HHAF CCNc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(OC)c(OC)cc12 82131309 UBLHGIFTGOFTOG-UHFFFAOYSA-N 411.481 3.545 0 1 HHAF CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 82154236 CLWNDEHSSWONCQ-UHFFFAOYSA-N 402.498 3.739 0 1 HHAF CCOC(=O)COc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114037904 YCNQEIDRNDLZLW-HXUWFJFHSA-N 408.502 3.581 0 1 HHAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-c4ccccn4)C[C@@H]3C2)n1 116826336 JJWJVHZJBUGWQP-QZTJIDSGSA-N 417.488 3.503 0 1 HHAF CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)c1 211030456 BKZIXMFZEWLONB-UHFFFAOYSA-N 413.529 3.801 0 1 HHAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cccc(O)c3[nH]2)CC1 586954842 PYEIDWBNOPKBNU-UHFFFAOYSA-N 407.495 3.990 0 1 HHAF COc1cncc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 587006814 STEXWLHVYKXCPD-UHFFFAOYSA-N 411.259 3.606 0 1 HHAF C[C@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587124292 MODCFFDMBUWFLQ-VFZGTOFNSA-N 416.400 3.740 0 1 HHAF NC(=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587231634 SVNJMLZBUQGFLL-UHFFFAOYSA-N 415.453 3.551 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1I)[C@@H](C2)C3=O 587426584 DGMHRJMSKYIGTP-YVEFUNNKSA-N 410.182 3.928 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437206 XOPFKOFAGHPFIN-UIWIIMKRSA-N 403.475 3.572 0 1 HHAF Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587552148 NVXFSCUQPPUXQP-XHDPSFHLSA-N 404.209 3.774 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cn2)N1 587684794 PNBWGJFVEOVUSR-UHLUBPPHSA-N 401.077 3.764 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 587844796 PBCUPVGQZGNBHH-VOJFVSQTSA-N 410.308 3.543 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(-c3ccccc3C)c2O)c(O[C@H]2CCOC2)c1 587926355 NKPXXTJBYGUIDO-INIZCTEOSA-N 409.438 3.818 0 1 HHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587936919 NCRKCQMZLMBPFC-HWPZZCPQSA-N 414.405 3.702 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(F)c1 653873024 YIZCSFCGGFGPMT-UHFFFAOYSA-N 404.825 3.707 0 1 HHAF COc1cc2c(cc1OC)[C@]1(CCn3cccc3C1)N(C(=O)c1ccccc1N)CC2 963147777 SEJBRKYVXPFKPF-RUZDIDTESA-N 417.509 3.628 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)CO[C@@H](C[C@@]1(C)O)[C@@H]23 2356631543 GAOMOYCMAISIED-NCGNGIRJSA-N 418.574 3.928 0 1 HHAF COc1ccccc1CNC(=O)c1cc(-c2ccccc2)n(Cc2cc(C)no2)n1 36384204 FPSUZYPIFMWNPK-UHFFFAOYSA-N 402.454 3.833 0 3 HHAF COc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 61923081 XXHHWONTAYXONL-VJBWXMMDSA-N 424.545 3.620 0 3 HHAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(C(C)=O)c2)O3)cc1 61929716 UZBOOLWNBGDICB-QFIPXVFZSA-N 415.449 3.852 0 3 HHAF CNC(=O)c1cccc(NC(=O)C[C@@]2(C)N=C(c3ccc(C(C)C)cc3)N(C)O2)c1 205212829 WMEXKSPHSMBTMY-QHCPKHFHSA-N 408.502 3.538 0 3 HHAF CC(C)C[C@H](NC(=O)c1ccc(OCCn2ccnc2)cc1-c1ccccc1)C(=O)O 13796740 CNHFDLPFXKHRKU-QFIPXVFZSA-N 421.497 3.858 0 1 HHAF Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C[C@H]2SC(=O)NC2=O)cc1 13887734 DKSAHGHNBIUCKR-GOSISDBHSA-N 421.478 3.725 0 1 HHAF CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)C(C)C)ccc31)CN(C1CCCC1)C2 28955301 AORWKJYDURSPEO-UHFFFAOYSA-N 417.575 3.578 0 1 HHAF COc1cc(OC)cc(C(=O)NC2CCN(Cc3cc4ccccc4n3C)CC2)c1 36351806 PWXRGSCPKLQTMI-UHFFFAOYSA-N 407.514 3.590 0 1 HHAF CC[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cccc2cccnc12 40950527 NQBVKCQRKMKISX-OAHLLOKOSA-N 401.875 3.814 0 1 HHAF COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@H]3CSC[C@H]23)OCO4)cc(OC)c1OC 52650343 NOGZMRFDAQLGHZ-LATRNWQMSA-N 416.495 3.599 0 1 HHAF COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2C)ccc1OC(C)=O 59230298 SWIPHJJVORBKQV-WLRWDXFRSA-N 412.394 3.637 0 1 HHAF biogenic COCC(=O)Nc1cccc(-c2cn3ccnc3c(Nc3ccc(OC)cc3)n2)c1 64540695 UAVIDYPAYSLILU-UHFFFAOYSA-N 403.442 3.733 0 1 HHAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 82180583 SUVUVZRUEIBNML-UHFFFAOYSA-N 421.476 3.942 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(Cl)c3)c2n1 116186824 ONDFQMVIYFILPC-MRXNPFEDSA-N 423.864 3.816 0 1 HHAF O=C(NCCC1OCCO1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 143139490 XSQREVDOGGGSRE-UHFFFAOYSA-N 406.442 3.505 0 1 HHAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1 149893620 RIGJHOCYIDQNRK-IBGZPJMESA-N 400.841 3.578 0 1 HHAF CNc1nc(Nc2cc(OC)c(-c3cnnn3C)cc2Cl)ncc1C(F)(F)F 169704324 ORXIVPUVKPUGBS-UHFFFAOYSA-N 413.791 3.738 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(N4CCCC4)ncc3F)C2)cc1 169709893 REPRGMGEQSGTII-OXJNMPFZSA-N 412.509 3.676 0 1 HHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 586938603 KVKAODHFDCAPCF-CYBMUJFWSA-N 413.478 3.632 0 1 HHAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586995524 IDXZDWIVSPAOQK-UHFFFAOYSA-N 411.277 3.886 0 1 HHAF COc1cc2c3c(c1)O[C@](CSCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587452276 NVOSAXXCDPNMSI-MGPUTAFESA-N 404.871 3.809 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cnc2c1OCCO2 587550381 ADCWBCVIHHJNMU-LPHOPBHVSA-N 411.797 3.915 0 1 HHAF O=C1C[C@]2(C[C@@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598901 YWIJMPKSPQYJPR-MCCOCYNGSA-N 415.445 3.614 0 1 HHAF CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707925 YKMZTZIBCDVEAY-FMCKTDMXSA-N 416.184 3.781 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587830972 GPJKQJSKYPCOIE-FJVYXFCJSA-N 408.267 3.504 0 1 HHAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3nc4ccccc4s3)c2)c1 653861772 JDXRKKGLKIGJDL-UHFFFAOYSA-N 404.451 3.622 0 1 HHAF Cc1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2c1C 1857539081 XULUJYUVCVOHBY-UHFFFAOYSA-N 402.285 3.567 0 1 HHAF CC(=O)Nc1nc(C)c(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)[nH]1 1857609190 AGBGFWNSUFXEPK-UHFFFAOYSA-N 412.446 3.674 0 1 HHAF NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 1911577154 ICJVKEJUKWSONK-UHFFFAOYSA-N 406.530 3.758 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356410400 KMZOVYXDQXJEON-ACLYOKNKSA-N 422.606 3.537 0 1 HHAF COc1cc(C[C@@H]2COC(C)(C)OC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O 2356745028 YJHACFXKVFCHFP-QZTJIDSGSA-N 402.487 3.916 0 1 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2c(F)cccc2F)nn1 203462984 JOPMJFCHLFGBRQ-UHFFFAOYSA-N 411.412 3.555 0 3 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)c1 4049247 RRKXDUODJQLERK-VWNXMTODSA-N 421.541 3.779 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4049672 VPPKJWXDEGCYER-SQVLJLFZSA-N 408.498 3.597 0 1 HHAF CCN(C(=O)C1=CCCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1C 13493955 BJJBFGZBMMQQPE-HXUWFJFHSA-N 418.541 3.675 0 1 HHAF COc1ccccc1COC(=O)[C@H](CC(=O)OC1CCCC1)NC(=O)OC(C)(C)C 26177156 FNSXTWGGMJMYMT-KRWDZBQOSA-N 421.490 3.508 0 1 HHAF CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@@H]1N2C(=O)OC(C)(C)C 36387599 NVHMRQFLOHDZIF-FUHWJXTLSA-N 410.470 3.915 0 1 HHAF O=C(Nc1nccs1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 36402111 DOTNXOZFPLAGNY-GOSISDBHSA-N 420.556 3.618 0 1 HHAF CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)COc1ccccc1 40584959 DCXHWSUJNSPTEF-KRWDZBQOSA-N 400.862 3.820 0 1 HHAF C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 42877114 OJUYKMCASYNMLF-JRSSGIMASA-N 420.634 3.769 0 1 HHAF c1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)cc(NC2CCCCC2)n1 58583786 IHAKCSKGCPKKPZ-UHFFFAOYSA-N 403.534 3.688 0 1 HHAF O=C(O)c1cccc(C(=O)c2cc(Cl)cc(C(=O)c3ccccc3O)c2O)c1O 84409964 NVRUSGBQIDGKSY-UHFFFAOYSA-N 412.781 3.617 0 1 HHAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCC1)CC2 88261017 SLCSSVAVCXUAJF-BJKOFHAPSA-N 412.599 3.863 0 1 HHAF O=C(O)Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 96286196 VDFQWTHPVPUSSE-BZZOAKBMSA-N 415.405 3.645 0 1 HHAF COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633111 OOGGORAJSDBXIE-AUUYWEPGSA-N 421.522 3.850 0 1 HHAF COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 139894987 ODAQEXPEXRLXOF-FDFHNCONSA-N 400.434 3.746 0 1 HHAF CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2C2CC2)ncc1C(F)(F)F 147700877 KZJLXRQYBYYSJO-UHFFFAOYSA-N 421.423 3.631 0 1 HHAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(CO)[C@H]2C[C@@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@H]3O 169355013 PKVICYZLWZIYRA-NPGGFRSDSA-N 404.591 3.890 0 1 HHAF C[C@H]1Cc2c(nnn2-c2ncccc2F)CN1C(=O)c1cccc(Cl)c1Cl 218439587 VWBWBQPTYDWJSA-JTQLQIEISA-N 406.248 3.695 0 1 HHAF CC1=N[C@]2(C[C@H]([C@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N 261111379 IBGZXUPONLUVLS-JOKNJTHLSA-N 406.324 3.790 0 1 HHAF COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2nc3ccccc3s2)cc1 299867132 XIVMSVYFVMFJCG-KRWDZBQOSA-N 410.524 3.736 0 1 HHAF COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586962114 USPGBAQHDWHXSU-OLMNPRSZSA-N 412.515 3.661 0 1 HHAF CCCn1cnc2cc(-c3nc4c(C(=O)OC)ccnc4[nH]3)cc(Br)c21 587002832 DROXVQLHOZEXMM-UHFFFAOYSA-N 414.263 3.934 0 1 HHAF COC(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1OC 587168484 XRYGADDZPHTABJ-MRXNPFEDSA-N 412.421 3.866 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587225245 OEMUHXDHTRCAKQ-UHFFFAOYSA-N 408.245 3.763 0 1 HHAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615647 GUFFBIYYYGNZJU-XLHILCRZSA-N 412.438 3.615 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)cn2)N1 587682893 MDBIAHIAFRZBEE-VXJOIVPMSA-N 415.104 3.938 0 1 HHAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(O)c2)cc1OC 587925698 CIAWUEGBQBIDMM-UHFFFAOYSA-N 417.421 3.951 0 1 HHAF Cc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(NCCCO)n1 653864077 UIYWXQORBIQEEY-UHFFFAOYSA-N 400.914 3.695 0 1 HHAF NC(=O)N1CCc2sccc2[C@@]1(c1cccc(CN2CCOCC2)c1)C1CCC1 962714048 QNHBNCPWBKYWAT-QHCPKHFHSA-N 411.571 3.561 0 1 HHAF COc1ccc(Br)cc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229416 KVASDJJCSOBCKY-PKOBYXMFSA-N 413.271 3.694 0 1 HHAF CCCCc1ccc(N2N=C(COc3ccc(F)c(C(N)=O)c3F)CC2=O)cc1 1857571252 CYEMHXINKUJVLO-UHFFFAOYSA-N 401.413 3.578 0 1 HHAF N=c1c2c([nH]c3cc(Br)ccc13)CC[C@H](C(=O)NCc1ccccc1)C2 1857638797 UMMGKEQHDBVJNT-AWEZNQCLSA-N 410.315 3.831 0 1 HHAF O=C1CN(C(=O)c2ccc3c(c2)OCO3)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2724668 GXFVVZPWTQBEGW-JOCHJYFZSA-N 422.387 3.877 0 1 HHAF CN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2cccnc21 3819651 WLEWZWNDSXTRLZ-UHFFFAOYSA-N 424.504 3.708 0 1 HHAF Cc1nc(NCCO)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1 14952222 UZKWSGJDJDMOGQ-UHFFFAOYSA-N 418.910 3.603 0 1 HHAF CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(N2CCCCC2)CC1 15671957 DDPDVVASDFMYFL-UHFFFAOYSA-N 401.576 3.727 0 1 HHAF O=C(O)CCCCc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)C2 27331521 OKBWKYHXAYKQCM-INIZCTEOSA-N 421.946 3.831 0 1 HHAF O=S(=O)(c1cccc(F)c1)C1(F)CCN(CCc2ccc(F)cc2F)CC1 28107164 NJDSCCWXSSWOKI-UHFFFAOYSA-N 401.425 3.882 0 1 HHAF O=C1c2cc(N3CCOCC3)ccc2N[C@H](Cc2ccccc2)N1c1cccc(O)c1 72113604 BYWSUCKSSQYAAJ-DEOSSOPVSA-N 415.493 3.870 0 1 HHAF O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)Nc1ccncc1)C1CCCCC1 96931560 MZKVSHLAYCESBC-NRFANRHFSA-N 406.486 3.515 0 1 HHAF COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cccnc3)cc2)cc1 100085044 XUCHLZGIWXIVIS-NUNAXRQHSA-N 400.482 3.729 0 1 HHAF CC(C)(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4[C@@H]4CCCO4)C3=C2)cn1 149094427 YJOORSSCXKACPB-FQEVSTJZSA-N 404.514 3.718 0 1 HHAF CCOc1cc(F)cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 149414561 UJFGYZLSPBPCBC-DEOSSOPVSA-N 424.472 3.763 0 1 HHAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccc(F)c(F)c4)c3)c2c1 164773722 DLILSXXPEGLKGC-UHFFFAOYSA-N 406.392 3.788 0 1 HHAF Cn1c2ccccc2c2cc(CCCOc3ncccc3N3CCOCC3)cnc21 169337416 MMUXDRILFPFIEB-UHFFFAOYSA-N 402.498 3.970 0 1 HHAF CS(=O)(=O)N1CC[C@@H](c2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)C1 216008397 SKNDTMSDOZFWLP-CQSZACIVSA-N 418.902 3.935 0 1 HHAF CCn1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1F 261187993 YDFGIFLYGLMJSV-GOSISDBHSA-N 414.868 3.761 0 1 HHAF COc1ccc2ccc(=O)oc2c1C1=NN(C(N)=O)[C@H](c2ccc(SC)cc2)C1 299864543 MKRUUBYBTIUWQP-INIZCTEOSA-N 409.467 3.753 0 1 HHAF COc1cc(OC)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 586999761 HSLJDQRMLWZDDG-UHFFFAOYSA-N 417.215 3.822 0 1 HHAF Cc1c(-c2nc3cc(Br)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073297 FLQRQNVFEUCDGT-UHFFFAOYSA-N 403.671 3.989 0 1 HHAF O=S(=O)(Nc1cc(-c2nc3cncnc3[nH]2)ccc1Cl)c1ccc(F)cc1 587171456 OTGUPINSADLYTM-UHFFFAOYSA-N 403.826 3.613 0 1 HHAF Oc1nc(O)c2cc3c(nc2n1)-c1c(Br)cc(Br)cc1C3 587365199 BLMVUDXJSCCSIX-UHFFFAOYSA-N 409.037 3.532 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(I)c1)O2 587387443 ROFKNOURCOBXPY-KRWDZBQOSA-N 409.223 3.768 0 1 HHAF C[C@@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538901 CFHNUYGEYIIECV-APWZRJJASA-N 415.243 3.772 0 1 HHAF CC(C)(C)C(=O)N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576856 INIXMOWQMMHAFD-KNQAVFIVSA-N 418.449 3.897 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 587755553 AUWWJARFCFNCDB-BUXKBTBVSA-N 401.283 3.967 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnn(C(C)C)c(=O)c1Cl 587869055 ZQMYFWNEOMMKBD-UHFFFAOYSA-N 413.787 3.753 0 1 HHAF CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCc1ccccc1O2 1772570926 PSZPPDUGQXQAJP-UHFFFAOYSA-N 411.479 3.573 0 1 HHAF Nc1cccc(CN2CCN(CCC(=O)Nc3nc(-c4ccccc4)cs3)CC2)c1 1857600929 PFLAUAOBLCNMSL-UHFFFAOYSA-N 421.570 3.539 0 1 HHAF N=c1c2c([nH]c3cc(Br)ccc13)CC[C@@H](C(=O)NCc1ccccc1)C2 1857638798 UMMGKEQHDBVJNT-CQSZACIVSA-N 410.315 3.831 0 1 HHAF COc1cc(O)c([C@H](O)[C@@H](C)[C@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC 2356562278 SRXKZHVLEVEYFU-RRMDADRESA-N 406.475 3.681 0 1 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@H]3CCCC[C@@H]32)cc1 95564717 PJSRLBULLRQHBL-ACRUOGEOSA-N 415.511 3.649 0 3 HHAF CCCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(C(F)(F)F)ccc21 840812 KFKSGGUYYZSXEA-UHFFFAOYSA-N 403.404 3.798 0 1 HHAF COc1cc([C@H]2c3c(ccc4ccccc34)C(=O)[C@H]3CCC(=O)N23)cc(OC)c1O 1654639 PWASRHCIRUXQDB-VGSWGCGISA-N 403.434 3.839 0 1 HHAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 2489337 OMBIAISDMYBHLH-PZJWPPBQSA-N 416.562 3.748 0 1 HHAF O=C1N(CCC2CCN(C[C@@H]3COc4ccccc4O3)CC2)CCN1c1ccccc1 3952980 QDSZCLOZPZIBJX-JOCHJYFZSA-N 421.541 3.871 0 1 HHAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cn1 13905528 WILGPPVZPAITOM-GOSISDBHSA-N 407.426 3.582 0 1 HHAF COc1cc(C2(c3cc(OC)c(O)c(OC)c3)OC[C@H](C)[C@H]2C)cc(OC)c1O 14689329 ZRYGIPVURQUFDX-QWHCGFSZSA-N 404.459 3.678 0 1 HHAF CC(C)CCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 28949377 HMNPOHLNADCFNS-UHFFFAOYSA-N 413.547 3.775 0 1 HHAF COc1cc(N[C@H](C)CCCNC(=O)n2nnc3ccccc32)c2ncccc2c1 40379853 NAHXODROLNGJLS-OAHLLOKOSA-N 404.474 3.827 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](OC)C[C@]4(C)[C@@H]3CC[C@]12C 40449652 ZMAIFLOHRXCDQS-WVPFUGAFSA-N 418.622 3.959 0 1 HHAF COC(=O)[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O 49649350 NNIZTTLESROFOP-LJQANCHMSA-N 409.438 3.688 0 1 HHAF O=C(c1ccc(Br)o1)N1CCCC[C@@H]1c1nnn(-c2cccc(F)c2)n1 49785383 MHQDXRYZTJDYMG-CYBMUJFWSA-N 420.242 3.524 0 1 HHAF CC(=O)Oc1ccc2cc(-n3cc(-c4c[nH]c5ccccc45)nn3)c(=O)oc2c1C 53293806 HJRGGIWTKMNGRD-UHFFFAOYSA-N 400.394 3.756 0 1 HHAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82141543 XGDMZRMHQOVKRL-UHFFFAOYSA-N 414.525 3.874 0 1 HHAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCc3cccc(F)c3)ncnc21 82181614 REWFTVBRUIKYIY-UHFFFAOYSA-N 410.497 3.761 0 1 HHAF CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2c(Br)n[nH]c12 95563516 ULQXDZWCNOMSIZ-UHFFFAOYSA-N 410.293 3.833 0 1 HHAF CO[C@H](C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1 168356518 NMBMIQYSIGQRKT-QFIPXVFZSA-N 403.482 3.566 0 1 HHAF CCOC(=O)[C@@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@H]1c1cc(C)ccc1C 169687458 SYTUNNRYKZTPDR-RTWAWAEBSA-N 404.470 3.738 0 1 HHAF Nc1ncc2c(n1)CCN(c1cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)C2 169710042 PRIKAWGHFGEEJC-UHFFFAOYSA-N 413.403 3.893 0 1 HHAF COc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 219531918 GIPKILYDHHMWQP-UHFFFAOYSA-N 403.530 3.908 0 1 HHAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C[C@H]3COCCO3)[nH]c12 586909646 HOEUXWHJXNOHED-AWEZNQCLSA-N 405.376 3.792 0 1 HHAF O=c1c(-c2nc3cc(CCO)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587005989 DCQSJIXXZHMZCW-UHFFFAOYSA-N 424.298 3.737 0 1 HHAF COC(=O)c1cc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c2cn1 587144450 YGMNUIDSRLAJJT-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF O=c1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 587171753 SDMDALBQOKDDPJ-UHFFFAOYSA-N 407.302 3.918 0 1 HHAF CNC(=O)[C@@H]1C[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587236344 UZZMLSTYXTYNTO-ZIAGYGMSSA-N 402.376 3.684 0 1 HHAF C=CC(=O)Nc1ccc(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)cc1 587243385 FDPSNRIRIQKJEL-UHFFFAOYSA-N 400.232 3.904 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1Br)O2 587378984 YJSHBGUQPJSQGA-LJQANCHMSA-N 417.303 3.883 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4cccnc4)c(OC)c1)[C@@H](C2)C3=O 587435082 BKIDMOASBXILCY-GAJHUEQPSA-N 417.417 3.807 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cnc2c1OCCO2 587550384 ADCWBCVIHHJNMU-QFBILLFUSA-N 411.797 3.915 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N)c(Br)c2)N1 587683737 WYZNLRZWAORAJH-NXSYQRQQSA-N 415.104 3.952 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587727404 CHIYKORRDVBXKG-UGZDLDLSSA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cnc3ccccc3c2=O)N1 587772529 HTZIOGNROSENKH-ODXCJYRJSA-N 416.294 3.748 0 1 HHAF CCOC(=O)CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800695 YJSNMTGVOQSSBX-VOJFVSQTSA-N 416.287 3.526 0 1 HHAF C[C@@H]1CN(c2cccc(C(=N)N)c2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653737688 YRDJOOUTTZXUCV-SFHVURJKSA-N 405.546 3.513 0 1 HHAF COc1ccc(C[C@@H]2CCCN2C(=O)c2nc(C)ccc2-c2ncccn2)cc1OC 653783658 GEYXXRIEVGPQOY-SFHVURJKSA-N 418.497 3.712 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccn2)N(c2ccccc2)[C@@H]1c1ccccn1 653810900 OBYNRBKAUUYVRB-MDNUFGMLSA-N 401.466 3.918 0 1 HHAF COc1cccc([C@]2(C[C@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1 962575252 VWAWTQQMOMGKJH-VMPBMTGNSA-N 413.514 3.943 0 1 HHAF CCOC(=O)CCC[C@@]1(C(C)C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980372 UJKVTJVNUTUPHZ-LIRRHRJNSA-N 403.853 3.802 0 1 HHAF O=C1C[C@H](c2ccc(F)cc2)[C@@H](n2cncn2)[C@]2(C1)NCCc1cc(Cl)ccc12 963391683 WUBBVSNPVXTGHV-CEMLEFRQSA-N 410.880 3.800 0 1 HHAF CCS[C@@H]1C[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccccc2)C[C@H]1C(=O)O 1857548487 UDVPLNLUIXMLMC-HSALFYBXSA-N 419.568 3.953 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 1857555531 OEDRBBCZYXMNTK-KKSFZXQISA-N 416.518 3.655 0 1 HHAF Nc1c(C(=O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3 1857583167 VJZSZVRPIFTDMH-UHFFFAOYSA-N 402.479 3.967 0 1 HHAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@H](O)[C@H]2CC(=O)Nc1cccc2ccccc12 2356353194 JSVFQDLQYSSUGR-XZSVXLSMSA-N 411.542 3.715 0 1 HHAF C[C@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61926582 BCZRVBPYQNVZPO-HSZRJFAPSA-N 421.884 3.511 0 3 HHAF O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3ccc(Cl)cc3c(=O)n2-c2ccccc21 61949279 QVUNBPDQRFLUSV-IBGZPJMESA-N 417.852 3.772 0 3 HHAF O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 104012783 BTWNIZXDKWTDNT-AEFFLSMTSA-N 416.403 3.885 0 3 HHAF COCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCCCC1)O2 2489274 NLBYSDDXQYNXCN-HXUWFJFHSA-N 404.551 3.606 0 1 HHAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1 4257425 NDGLXPCLIJGSFF-UHFFFAOYSA-N 405.483 3.675 0 1 HHAF CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@H](NC(=O)c1ccccc1)C(C)C 13373105 YYJRAGPDSYXARF-YUXAGFNASA-N 424.541 3.829 0 1 HHAF biogenic CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CCN(C(=O)c1ccccc1)C2 13443700 FNARXJUOSDHPTL-UHFFFAOYSA-N 400.500 3.718 0 1 HHAF COc1ccnc(C[S@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1C 13452070 QUNAPURTLGQPAG-MUUNZHRXSA-N 417.384 3.819 0 1 HHAF O=C(O)C[C@](O)(C(=O)O)[C@@H](O)CCCCCCCc1ccc(Cl)cc1Cl 13781070 SBYQDTKOUSIXDD-MAUKXSAKSA-N 407.290 3.528 0 1 HHAF COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(NC2CCNCC2)n1C 28604538 PQEDWLSCDTWFKZ-UHFFFAOYSA-N 408.477 3.844 0 1 HHAF O=C(Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccncc1 29399753 OYXGLVBVJNLXTK-UHFFFAOYSA-N 420.266 3.969 0 1 HHAF Cc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 36454201 MUTVGQRUJIPMBV-UHFFFAOYSA-N 406.437 3.649 0 1 HHAF OCCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCOCC3)c2)[nH]1 40422695 GFSPCTUKPXPJKO-UHFFFAOYSA-N 414.506 3.953 0 1 HHAF COc1cc(C(=O)c2cc3cc(OC)c(OC)c(OC)c3o2)cc(OC)c1OC 45352949 BHCGSBUWDZRRQG-UHFFFAOYSA-N 402.399 3.715 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2CC[C@@H]3C[C@]3(c3ccccc3)C2)n1C 64527383 ACFIBJLBHXWBFG-XMSQKQJNSA-N 409.559 3.924 0 1 HHAF F[C@H]1CNCC[C@@H]1n1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1 71341225 XMUIHQBLEQJXIH-SFTDATJTSA-N 400.461 3.779 0 1 HHAF O=C1C(=O)N(c2ccccc2OC(F)(F)F)CCN1Cc1ccc(F)cc1Cl 95553091 QZTCPPVBIUEPSI-UHFFFAOYSA-N 416.758 3.753 0 1 HHAF CNc1nc(C)c(-c2nc(Nc3cccc(N4CCCNCC4)c3)ncc2F)s1 95605858 ZHXQLMCSTVATST-UHFFFAOYSA-N 413.526 3.633 0 1 HHAF O=C(c1cc(Cl)ccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168914 XBHMMEOMLMLCFY-UHFFFAOYSA-N 401.894 3.708 0 1 HHAF NC(=O)c1cccn2cc(-c3cccc(-c4cncc(OC[C@H]5CCCO5)c4)c3)nc12 96916049 DHLJXELTUGVBOO-LJQANCHMSA-N 414.465 3.720 0 1 HHAF COC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1[C@@]21C=C(N)N(C)C1=O 146790481 NNDRHDSCYLMORV-HFYIDVTOSA-N 413.521 3.867 0 1 HHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc(Cn2ccnc2)c1 169714438 MCEBJZPEYPCIEE-TZIWHRDSSA-N 409.486 3.506 0 1 HHAF CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@@H](C(=O)NC)[C@H]1c1ccccc1 169720518 FYDWBCULRFNKGS-QRVBRYPASA-N 405.523 3.661 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(COC23CC4CC(CC(C4)C2)C3)cc1F 216199649 DIGKCAAKGMNZAC-UHFFFAOYSA-N 415.914 3.654 0 1 HHAF COC(=O)/C=C(\CC[C@@H]1[C@@H](OC=O)C=C[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 238767797 JQUOFEBUGGKARK-DSEFBPSISA-N 406.519 3.989 0 1 HHAF CC(C)(C(=O)N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](C(N)=O)(C3)C2)c1ccc(C(F)(F)F)cc1 299870343 TXTOXOFJBWEQLD-QDEFSJGUSA-N 408.464 3.779 0 1 HHAF in-vivo CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4nc(Cl)c[nH]c-4n3)CC2)cc1 586954896 JXGJBYNOTSIGGU-UHFFFAOYSA-N 419.938 3.650 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(F)(F)F 587091862 GYYBINPODGUQBZ-LJQANCHMSA-N 423.391 3.521 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)O2 587407716 KICZPZBULYEZSH-XMMPIXPASA-N 417.417 3.883 0 1 HHAF COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Br 587414050 RGVPKDVCXKMBHW-JLTOFOAXSA-N 417.255 3.907 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(Br)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453475 SUWMCEXKRKUOGO-ADLMAVQZSA-N 423.284 3.725 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3cnc(Br)cn13)CC2=O 587460256 SLFSWKFEPRBDJC-OAHLLOKOSA-N 402.248 3.856 0 1 HHAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC 587588250 QDTGQLAEFNXODW-WZONZLPQSA-N 423.421 3.690 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587756350 KHBAQGBNWVMZEK-OVWNDWIMSA-N 424.314 3.588 0 1 HHAF C[C@H](O)[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963199059 VSFDYCPQFLEIIQ-HLVXZEEUSA-N 405.825 3.644 0 1 HHAF Cc1cccc(CNC(=O)c2ccc(-c3cc(C4CCOCC4)cnc3N)cc2F)n1 1772624747 MUPFYTVQPNDAIP-UHFFFAOYSA-N 420.488 3.997 0 1 HHAF Cc1cc(NC(=O)N=c2cc(C(C)(C)C)o[nH]2)ccc1Oc1ncnc2n[nH]cc12 1857549134 AYAHXOMVALZRBU-UHFFFAOYSA-N 407.434 3.805 0 1 HHAF COCCNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1 1857554886 NYFWYWODSVOXOB-UHFFFAOYSA-N 413.522 3.932 0 1 HHAF COc1ccc(Cl)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1857747823 UTBYOGUMHBRUQS-JTQLQIEISA-N 403.287 3.751 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1 1857749479 KSEJLMCYOJFZHE-MRXNPFEDSA-N 413.543 3.910 0 1 HHAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 2356412595 VGWQIOHZGAIQEI-CYBMUJFWSA-N 401.463 3.558 0 1 HHAF COc1cc2c(c(OC)c1O)-c1c(cc(OC)c(OC)c1OC)C[C@H](C)[C@H](C)[C@@H]2O 2356741561 ZDZSZGNUOYULAW-ZKTNFTSUSA-N 418.486 3.964 0 1 HHAF C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CCN1CCc2ccccc21 4215695 WXNDMZMDDSIIQX-KRWDZBQOSA-N 413.587 3.833 0 3 HHAF CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cn1 205210848 DASVVHTYHFCGHS-UHFFFAOYSA-N 414.550 3.705 0 3 HHAF COC(=O)c1c(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc(C)nc1C 3801997 PHTZSKZKEGZCHJ-UHFFFAOYSA-N 415.453 3.911 0 1 HHAF O=C1c2ccccc2N(COCc2ccccc2)S(=O)(=O)N1Cc1ccccc1 6579782 PEIZVNQARNJEQH-UHFFFAOYSA-N 408.479 3.568 0 1 HHAF O=C(O)CCCCC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730215 SHYBZZCSPUTWDK-INIZCTEOSA-N 410.923 3.832 0 1 HHAF COCC[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14991582 HSALWFSLZPIPKQ-AUSIDOKSSA-N 418.603 3.798 0 1 HHAF COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 22941853 WKPITOGUWYLINO-WMZHIEFXSA-N 422.569 3.732 0 1 HHAF CC(=O)NCCO[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 35064339 NPUYFSOLWVDWPW-RUZDIDTESA-N 400.478 3.696 0 1 HHAF Cc1cn(-c2ccc(C(N)=O)c(NC3CCC(=O)CC3)c2)c2c1C(=O)CC(C)(C)C2 36479310 NLVGCYUZIQJCDS-UHFFFAOYSA-N 407.514 3.963 0 1 HHAF Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(N3CCOCC3)n1-2 39247031 WSUYQEAVWLIPPH-UHFFFAOYSA-N 414.296 3.762 0 1 HHAF O=c1cc(NC[C@@H](CO)CNCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 40404841 XXLYHHFIQIFYPP-AWEZNQCLSA-N 406.313 3.645 0 1 HHAF Cc1ccc(C)c(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)nc(N)nc32)c1 40421510 YZTOIGPTUIIPEO-UHFFFAOYSA-N 401.879 3.527 0 1 HHAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]c(C)nc4c3)CC1)O2 49115799 ODAVZTIHKPRRJE-UHFFFAOYSA-N 405.454 3.520 0 1 HHAF CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)c2ncccc21 71318983 XWGSDOXTZGMGQV-SFHVURJKSA-N 418.476 3.656 0 1 HHAF O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1cn(-c3ccccc3)cc1-2 95579841 CFNJTEOHOHFJPR-UHFFFAOYSA-N 402.475 3.764 0 1 HHAF CC[C@@H](Sc1nc2nncc-2c(O)n1-c1ccccc1Cl)C(=O)N1CCCC1 103893274 XZKNUSPXIOAJEY-OAHLLOKOSA-N 417.922 3.619 0 1 HHAF COc1ccc(OC)c(CNCCc2cc(OC)c(Br)cc2OC)c1 473090916 BBIMHLFFOJQGNN-UHFFFAOYSA-N 410.308 3.816 0 1 HHAF COc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2n1 586954460 IIFVRIDSSRDWHK-UHFFFAOYSA-N 422.510 3.688 0 1 HHAF Cc1cnc(Cl)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 587000303 QCCKQEIUCSTMBC-UHFFFAOYSA-N 421.682 3.650 0 1 HHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)=O 587378238 SUHJHIIHSLSCRF-MRXNPFEDSA-N 420.259 3.980 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)O2 587388729 GHEJFULLMQSYMP-RCDICMHDSA-N 404.507 3.621 0 1 HHAF COc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587419205 KCPBLBMZQDAPOU-VFNWGFHPSA-N 402.830 3.865 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Cl)c(Br)cc41)[C@@H](C2)C3=O 587420431 WOSWEHYDKDTIBY-XTZNXHDOSA-N 420.646 3.706 0 1 HHAF COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600017 KASLNCHGZPAEKQ-XUZZJYLKSA-N 420.417 3.821 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C[C@@H]3CCCO3)C[C@H]2C)N1 587759560 GKKOFMITECBEJG-DHYLWCPWSA-N 411.359 3.839 0 1 HHAF COc1cc(CCc2cc(Nc3ncnc4c(OC)cccc34)n[nH]2)cc(OC)c1 653842095 AERRZBRQFXRFDA-UHFFFAOYSA-N 405.458 3.908 0 1 HHAF COc1ccc([C@@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)cc1 653847526 PQHUPTXBHFKEAW-JOCHJYFZSA-N 423.513 3.878 0 1 HHAF COc1ccc2c(c1)[C@@](C)([C@@H]1C(=O)c3cccc4c3N(CC4)C1=O)N(C(C)C)CC2 962042662 JAYOAXFTYRDFTJ-BWKNWUBXSA-N 404.510 3.579 0 1 HHAF COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)c1c(F)cccc1C[C@H]1CCCN12 963099781 IJSVHHFPSLLPIA-QSAZIKIQSA-N 418.509 3.614 0 1 HHAF Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccc(C(C)C)cc3)=COC2=NC1=O 205234682 SNFWVKVURMYQSC-UHFFFAOYSA-N 423.473 3.519 0 3 HHAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 769886 SHTLUYABPONGLQ-HXUWFJFHSA-N 421.419 3.708 0 1 HHAF COc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)C[C@H]2c2ccccc2)cc1 1647552 QJYYTKPLABDMRQ-NRFANRHFSA-N 420.513 3.797 0 1 HHAF Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 2459742 DADNATXCPQFNQV-UHFFFAOYSA-N 406.548 3.938 0 1 HHAF Cc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 26493579 ZDCBPJRFIHUUTM-UHFFFAOYSA-N 424.508 3.892 0 1 HHAF O=C1C(=O)N(Cc2cc3ccccc3o2)c2ccc(I)cc21 28462509 WGQCKGKLMRHSEQ-UHFFFAOYSA-N 403.175 3.767 0 1 HHAF COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)C)cc1 29470257 URPBTVKRTSDIFK-IBGZPJMESA-N 403.519 3.557 0 1 HHAF O=C(NC1CCCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCS2 43203674 NGUIYPWMLCJSGN-UHFFFAOYSA-N 420.531 3.799 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 72136441 ORDMBNHJHVBOOO-YTFSRNRJSA-N 408.546 3.920 0 1 HHAF CN(CC(=O)OCCC1CCCCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085789 LNMIIMLESXWMQX-UHFFFAOYSA-N 414.458 3.656 0 1 HHAF COc1ccc(CNc2nc(NC[C@H]3CCCO3)nc3cc(OC)c(OC)cc23)cc1 82127301 SKCYASHPMKXTHH-QGZVFWFLSA-N 424.501 3.859 0 1 HHAF O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2cc(C3=NCCN3)ccc2c1Cl 84690253 XXROUAGBTGVRHW-UHFFFAOYSA-N 423.929 3.507 0 1 HHAF CCOC(=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC 95557645 YZLGXZNPEQWGMM-KRWDZBQOSA-N 402.447 3.653 0 1 HHAF COc1cccc(CNC(=O)N(CCN2CCCC2)c2ccc(-c3cn[nH]c3)cc2)c1 95588494 VICPYUOROOQPTH-UHFFFAOYSA-N 419.529 3.897 0 1 HHAF CCOC(=O)C1=C(C)NC(=O)N(C)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 96270340 HISJWAKJMJWQPT-OAQYLSRUSA-N 410.470 3.807 0 1 HHAF c1cncc(CNc2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3n2)c1 98208380 DCLOYUQZPOKYDM-UHFFFAOYSA-N 413.485 3.612 0 1 HHAF in-vitro CC(=O)N1CC[C@@]2(SC(c3cc(F)ccc3F)=NN2C(C)=O)c2ccccc21 141826219 KLSJYXRHPFHDGE-HXUWFJFHSA-N 401.438 3.831 0 1 HHAF CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201107443 IWKFZYREVQHDQC-QBFCQJJASA-N 412.574 3.872 0 1 HHAF Fc1cccnc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1 299865372 NOJHQUZCNBPNPS-IBGZPJMESA-N 416.460 3.742 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 299874950 CFQIMGCYJGHZIT-PZMSFCMUSA-N 410.514 3.700 0 1 HHAF CCNC(=O)CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587230128 HXICMDXYAQFFJO-UHFFFAOYSA-N 404.392 3.903 0 1 HHAF NC(=O)Nc1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587242352 QYLXLWWOPFILSS-UHFFFAOYSA-N 411.057 3.641 0 1 HHAF NC(=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587494821 ATEQGOHBXVZNTH-FQEVSTJZSA-N 400.272 3.674 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 587746601 HMSIQCLEZZNKQM-CXDLXDAJSA-N 407.327 3.629 0 1 HHAF CCOC(=O)/C(=C/N(C)C)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758023 WKVFGEUJAMBVPQ-PECQZLTESA-N 413.331 3.736 0 1 HHAF CCOC(=O)[C@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587770371 JAROMMCGRDLENZ-BLVKFPJESA-N 407.283 3.633 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789755 COXDUPPLYMDHSY-FNFWKMNBSA-N 402.304 3.553 0 1 HHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805454 FKWGRVVHYIFXFG-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF CCN(c1ccc(-c2csc([C@H](C)Cn3ccc(C)n3)n2)cc1)S(C)(=O)=O 587922309 BFFWEZSVSJVHNZ-CQSZACIVSA-N 404.561 3.905 0 1 HHAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965629 LKVGSLXRIWHTGM-QYWGDWMGSA-N 423.843 3.779 0 1 HHAF CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@H]1NCCc2c(C(=O)O)cccc21 963120410 HNXDOZPPDTTXRK-OXJNMPFZSA-N 418.534 3.529 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccccn2)(c2cccnc2Cl)N1 963237380 XVNVNUZZLZMNAY-CVDCTZTESA-N 416.868 3.569 0 1 HHAF CN1CCN(c2ccc(Nc3ccc4c(N=c5cncc[nH]5)ccnc4c3)cc2)CC1 1857582450 SXHDSCAJZVNEDC-UHFFFAOYSA-N 411.513 3.686 0 1 HHAF COc1cc(OC)cc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NC2CCCC2)c1 1857585958 YOUALEPMMDGWEH-UHFFFAOYSA-N 422.485 3.585 0 1 HHAF C[C@@H]1CCCCn2ncc(-c3nc(Nc4ccc(N5CCOCC5)cn4)ncc3F)c21 1857597054 MRFIWOQUOAXZDO-OAHLLOKOSA-N 423.496 3.742 0 1 HHAF O=C(O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 13634584 UGKVTLTXZYWVMW-APWZRJJASA-N 419.271 3.957 0 3 HHAF COc1ccc(/C=C2\C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)cc1 13704225 IJMLTDYFDBQWIO-DRTMAPTHSA-N 404.503 3.618 0 1 HHAF FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@@H]3CCC[C@@H]43)CC2)c1 40163133 BNRMWKUVWLKDQJ-MAUKXSAKSA-N 405.468 3.559 0 1 HHAF in-man CC(C)c1cnn2c(NCc3ccc(Cl)cc3)nc(N[C@@H](CO)C(C)C)nc12 40935411 BOPIEFLHGAQWGB-KRWDZBQOSA-N 402.930 3.942 0 1 HHAF CCN(CC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1 73158949 ZODLFFQRYVOUGH-UHFFFAOYSA-N 406.461 3.656 0 1 HHAF O=C(NCc1ccccc1Cl)c1cnc(N2CCOCC2)nc1-c1ccccc1 82133430 WPVJVRCECKRKNY-UHFFFAOYSA-N 408.889 3.564 0 1 HHAF CCCC(=O)OC1=CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 103232819 MATQBXYPJHRQDW-XZOYJPPVSA-N 422.433 3.851 0 1 HHAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(F)c1)C(Cl)(Cl)Cl 103295069 VZUXMLVIVNHCIL-NSHDSACASA-N 409.561 3.930 0 1 HHAF CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 114350247 AGDQZNITYJKXQO-MRXNPFEDSA-N 404.301 3.750 0 1 HHAF COC(=O)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142432780 MWBVINUYAQUKCO-HWPZZCPQSA-N 400.233 3.930 0 1 HHAF COc1ccc(-c2cnc(N3CC(c4ccc([C@H](C)NC(C)=O)cc4)C3)nc2)cc1 149634025 BOFVIDBMXAQZEV-INIZCTEOSA-N 402.498 3.953 0 1 HHAF CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 169310057 DRISSEPTZDJIKC-UHFFFAOYSA-N 419.865 3.952 0 1 HHAF COC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1 221623710 PEGWTPOZAXAEQW-UHFFFAOYSA-N 410.376 3.616 0 1 HHAF O=C(c1cc(F)ccc1-c1ccn[nH]1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226053424 TXWBBDDTBCZZRU-RISOHXOYSA-N 410.424 3.822 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OCCC4CC4)cn3)C2)cc1 261169818 SRYFNZPBHUPDPA-HRAATJIYSA-N 410.518 3.510 0 1 HHAF COc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1C 586974618 FNKNVAMSVCRSTC-QGZVFWFLSA-N 406.280 3.708 0 1 HHAF COc1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Br 586977341 LVGKHGOSZHNXCM-CLTKARDFSA-N 409.261 3.751 0 1 HHAF O=C1c2ccccc2-c2cc(C[C@@]3(O)C(=O)Nc4ccccc43)nc3ccc(O)c1c23 586989390 HGTLRJMMMVCAEB-VWLOTQADSA-N 408.413 3.534 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 587032481 TXTKFSNYLONZET-UQDQQJHMSA-N 412.544 3.974 0 1 HHAF Oc1nccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587179323 UKCGOHUHWOPLTP-UHFFFAOYSA-N 405.117 3.954 0 1 HHAF Cn1ccnc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336726 AKMVDDMJIZJAFK-URXFXBBRSA-N 415.424 3.963 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H](C(=O)O)NC[C@@H]32)c1 587363696 SXCHUYOFEKYHQF-WJONJSRFSA-N 400.434 3.969 0 1 HHAF Oc1ccc2c(-c3ccc4c(O)nc(O)nc4n3)ccc(OCc3ccccc3)c2n1 587554750 KCZVMPJJDVGEQN-UHFFFAOYSA-N 412.405 3.936 0 1 HHAF CC(=O)NCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570978 KENUOEXGPQCJTN-WIOPSUGQSA-N 417.461 3.948 0 1 HHAF COc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)ccn1 587623542 IYYCLPYQHYAGMC-UHFFFAOYSA-N 401.220 3.504 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 587722256 XPSKXKAUZSHXEL-WNWIJWBNSA-N 400.194 3.729 0 1 HHAF CCn1ncc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587762463 FBJWVXBBUIGUPC-RTJDVGLLSA-N 421.358 3.966 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)nc2)N1 587775251 RQABNWPVHYMVGQ-ZUOKHONESA-N 420.326 3.618 0 1 HHAF CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)N2NN=NC2=N1 587799362 YEWATQWIAUVPGR-QBAXLYOUSA-N 407.291 3.557 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1ccc(N3C[C@H](C)O[C@@H](C)C3)o1)N(C)[C@H](C)C2 962635827 UVRJKQMRCNTWPF-YDGQEPMXSA-N 400.519 3.876 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3c[nH]nc3-c3cccs3)N12 962640069 NJZPFKYPFXBAET-DENIHFKCSA-N 404.495 3.874 0 1 HHAF Cc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(N)c1 962918223 HPGQOOLDNCIBQC-UPVQGACJSA-N 404.466 3.938 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@](Cc1nc3ccccc3[nH]1)(c1ccccc1)NCC2 962926509 PJMZVBLMWPLCRZ-SANMLTNESA-N 410.521 3.897 0 1 HHAF Cc1cc(C)cc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2OCCc2ccccc2)c1 6521939 YQDVFUADTPXGJL-UHFFFAOYSA-N 408.523 3.853 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)NC[C@H]1CCCO1)C2=O 13681831 XZCNEAJZTOZWJU-YMOCUTNRSA-N 411.542 3.729 0 1 HHAF COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@@H]4[C@H](C2)N(C)CC[C@]341 26003509 RBQKCFLDNBVADS-AKYIFQPHSA-N 417.549 3.992 0 1 HHAF CN1C(=O)[C@H](NC(=O)Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2ccccc21 27982285 STGKTNCRMXDYKG-RUZDIDTESA-N 422.488 3.667 0 1 HHAF CN(C)[C@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40408711 ZNSVNVVHCFLBIT-OAHLLOKOSA-N 419.356 3.967 0 1 HHAF CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccccc1 40866700 OCZZLQJGEUJKRT-MOPGFXCFSA-N 405.523 3.638 0 1 HHAF Nc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069284 QVSPEIQWDRSPOF-SFHVURJKSA-N 420.538 3.561 0 1 HHAF CC(C)[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82206592 DWZZARAQNPGDJL-MRXNPFEDSA-N 423.344 3.637 0 1 HHAF Cc1ccnc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 96172453 OWGRDGFKETWYIR-XLIONFOSSA-N 401.514 3.871 0 1 HHAF COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633347 LXEZJBNRKHCPSS-LRDDRELGSA-N 400.475 3.508 0 1 HHAF COc1ccc(Cn2nnnc2C(=O)CC(=O)c2ccc(-c3ccccc3)cc2)cc1 101018180 BOAXKPYIOCTDKO-UHFFFAOYSA-N 412.449 3.853 0 1 HHAF N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 142222039 KUAWAPSIDJAYOE-BJKOFHAPSA-N 412.599 3.548 0 1 HHAF Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 144310872 NYHFSUBBKRBHFJ-UVBSCNOISA-N 420.366 3.892 0 1 HHAF CNCCN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 198841391 XUPAHVLQFBGOOQ-OAQYLSRUSA-N 417.513 3.859 0 1 HHAF COC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1[C@]21N=C(N)N2CCCN=C21 199085987 JNQFSJMQTKFBBJ-LRARRHDQSA-N 415.541 3.508 0 1 HHAF Cc1ccc(F)c(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1 205734197 ONOCEJCKMCHONY-UHFFFAOYSA-N 405.476 3.922 0 1 HHAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](C(C)C)C1 253917675 JOCGWOQFKXCOGL-TYUWDEHNSA-N 413.650 3.991 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 586939328 UOJVBYOHPZUSJS-KRWDZBQOSA-N 407.879 3.621 0 1 HHAF COc1cc(Br)c([C@@H](N)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC 586974208 CYKKRGSZQBXPQB-CQSZACIVSA-N 416.197 3.808 0 1 HHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 587068738 CMTPVCKRKLUCKM-SNVBAGLBSA-N 412.662 3.501 0 1 HHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587164334 SMEBFZNCBWTMDD-OAHLLOKOSA-N 401.385 3.647 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)O2 587407715 KICZPZBULYEZSH-DEOSSOPVSA-N 417.417 3.883 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(C)(=O)=O)c(OC)c1)CC2=O 587481199 AHVLMBRADNJTDF-OAQYLSRUSA-N 404.484 3.637 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2ccccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 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O=S1(=O)Cc2ccccc2CN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 148547739 AFRWOTVJIJLNBL-LJQANCHMSA-N 406.507 3.501 0 1 HHAF O=C(Nc1ccc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1)N1Cc2ccncc2C1 166682816 FIRREMCLGGOVOY-QFIPXVFZSA-N 420.513 3.514 0 1 HHAF CC[C@@H]1O[C@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 169290785 GZTRBGOKFUFZBR-NYRUHYBUSA-N 416.514 3.657 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCCC(F)F)cn3)C2)cc1 169709327 OBAKCPAMIYCMNL-YWZLYKJASA-N 419.472 3.970 0 1 HHAF COc1cc(NS(=O)(=O)c2cn(C)c(C)n2)ccc1-c1cncc2ccccc12 169710775 SQACXDMAHWSSJX-UHFFFAOYSA-N 408.483 3.753 0 1 HHAF CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1C 169720523 CUWORVBSTFJMBF-ZCNNSNEGSA-N 419.550 3.969 0 1 HHAF COc1cccc2oc(-c3cnc4ccc(OCCC[S@@](C)(=N)=O)nn34)cc12 205072973 DLZQHAOUJWYOTJ-NDEPHWFRSA-N 400.460 3.597 0 1 HHAF CCn1c(C)c(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)ccc1=O 209433470 PETXUKIFQYBFKX-APWZRJJASA-N 406.486 3.528 0 1 HHAF O=c1n(Cc2nc3nc(Cl)ccc3n2CCCCF)c2cnccc2n1C1CC1 218587249 KPVUDMBBQWQGGJ-UHFFFAOYSA-N 414.872 3.729 0 1 HHAF C[C@H](CO)CCC[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3[C@@H](CC[C@@H]12)[C@@H]1CC[C@@H](O)C[C@H]1C[C@H]3O 255209948 FSTVCFLDBGZBCG-FEXYUNLYSA-N 408.623 3.602 0 1 HHAF COc1cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc(OC)c1OC 299830274 XZPXPOMFAVMLND-UHFFFAOYSA-N 422.437 3.643 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 586946445 QEXFVBXFPSEDTP-HNNXBMFYSA-N 419.934 3.957 0 1 HHAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)cc(Br)c2[nH]1 586949816 BHECHDBXFDESCE-UHFFFAOYSA-N 414.712 3.941 0 1 HHAF COC(=O)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586958548 GIPOWUMIHMGSLH-RUZDIDTESA-N 421.316 3.852 0 1 HHAF CNS(=O)(=O)c1sccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993327 FXSQLMXGVMPKJM-UHFFFAOYSA-N 422.487 3.788 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587093011 CPFQKTPPHVVPII-HNNXBMFYSA-N 419.812 3.760 0 1 HHAF O=C1c2ccccc2-c2cc(Cn3c(=O)oc(=O)c4ccccc43)nc3cccc1c23 587105692 DWGAYXOOAOUDGY-UHFFFAOYSA-N 406.397 3.763 0 1 HHAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1F 587144303 LGTYYCDGQPMRMK-ZDUSSCGKSA-N 406.255 3.868 0 1 HHAF CCOC(=O)Cc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 587245695 XOQOLYPUKMNDHR-UHFFFAOYSA-N 418.453 3.808 0 1 HHAF O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(C2(Cl)CC2)[C@H]1c1ccc(F)cc1 587324911 AVFKPIHMBIRCNR-RXVVDRJESA-N 413.836 3.692 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)/C=C/C(=O)O)cc1)CC2=O 587469063 HHDPLOINDSJRIP-RGPPVUSESA-N 409.438 3.805 0 1 HHAF CCn1nccc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578666 AYUAQGVNIHCATF-YIGWSHRMSA-N 405.454 3.541 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3ccccn3)c(=O)c3ccccc23)cc1OCC 587669440 MZKHHTQGRQLTKC-UHFFFAOYSA-N 415.449 3.944 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)nn2C)N1 587687155 XOVBTUUTYDAXNJ-NXSYQRQQSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 587704584 JPTYKHSQZGIHEF-XXFAHNHDSA-N 422.685 3.873 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1 587860265 SHLDZCDLRVMNEM-SUMWQHHRSA-N 410.301 3.759 0 1 HHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587934728 FJXNVKQJSGKMGU-XXFAHNHDSA-N 405.248 3.869 0 1 HHAF O=C(c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)N1CCc2ccccc21 618007527 LIXVEOUMSXPOBA-UHFFFAOYSA-N 410.470 3.507 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCCc3[nH]c4cccnc4c32)N1 962983711 ZCRBDYIEQQAFIW-XOBRGWDASA-N 403.816 3.673 0 1 HHAF COc1ccc2c(c1)c([C@@H]1NCCc3c(OC)ccc(Cl)c31)cn2CC(=O)O 963256167 BADPDGCCVCCJED-NRFANRHFSA-N 400.862 3.632 0 1 HHAF COc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)nn2)cc1 1772654586 WYVQZHSIKLSVDQ-UHFFFAOYSA-N 421.888 3.707 0 1 HHAF O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2n1 1857651207 UNQWPAANVUURSJ-UHFFFAOYSA-N 408.933 3.830 0 1 HHAF Cc1cccc(Cl)c1Nc1nc2cc(N(C)CCN(C)C)ncc2n2cncc12 13582058 MCURPMGVRXUJQC-UHFFFAOYSA-N 409.925 3.981 0 1 HHAF C[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 22927111 DGUCYPDNCXXCGB-VGSWGCGISA-N 409.961 3.750 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OC/C=C/c1ccccc1)[C@H](OC(=O)c1ccccc1)C2 36271132 UASJKQINROBGIC-OEOPZRSQSA-N 405.494 3.951 0 1 HHAF O=C1OC2(CCC(CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 64548403 SJVXWCMPLIFLTL-UHFFFAOYSA-N 416.485 3.931 0 1 HHAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179589 NRMUZPQESIEWFI-UHFFFAOYSA-N 424.524 3.804 0 1 HHAF OC[C@H](CN1CCc2ccccc2C1)N1CCC(c2noc3cc(F)ccc23)CC1 87722246 AJTFQQUHXJLYJZ-NRFANRHFSA-N 409.505 3.566 0 1 HHAF CN(C)c1ccc(-c2nc3ccc(OCCOCCOCCF)cc3s2)cn1 95575762 GOMBAQRSDRXFRW-UHFFFAOYSA-N 405.495 3.806 0 1 HHAF Cc1cc(-c2ccc(C(F)(F)F)cc2)nnc1N1CCN(c2ncccn2)CC1 95578408 AJOJMYYGNCORHX-UHFFFAOYSA-N 400.408 3.587 0 1 HHAF Cc1ccc(N)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1 96173163 MKFWJTCXKSYQBK-UHFFFAOYSA-N 415.541 3.930 0 1 HHAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)n1 101297023 WRAQNXWAMOYIQK-KOMQPUFPSA-N 403.477 3.530 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(O)OCC1=N2 101499147 VRIJQPGCEHQVGR-LJQANCHMSA-N 413.426 3.747 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC4CCNCC4)n3)c(Cl)cn2)CC1 115456406 SFZGKYVLHXQPIX-FZNQNYSPSA-N 401.942 3.676 0 1 HHAF CC(C)C(=O)N1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 143328825 QRZHITIZNLKOHF-OAQYLSRUSA-N 404.432 3.770 0 1 HHAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3nccn3c2)no1 144376232 YCUOUZLXXPFGML-GOSISDBHSA-N 403.442 3.517 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Nc2ccc(F)cc2)c2cc[nH]c2c1=O 146391859 JVYANJDBSZLINI-UHFFFAOYSA-N 411.458 3.820 0 1 HHAF Cc1ccccc1NC(=O)OCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1 169698789 ZJRSIUKOOHUMJP-UHFFFAOYSA-N 401.426 3.680 0 1 HHAF CN(C)c1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)cc1 205828211 GZAJLQWXDGQIMQ-UNOMPAQXSA-N 415.453 3.535 0 1 HHAF C[C@@H]1c2ccc3c(c2[C@@]2(O)C[C@@H]4CC[C@@H]1N2C4)C[C@H]1[C@H]3C[C@@H](O)[C@H]2C[C@@H](O)CC[C@@]21C 255212134 GJGOGOYXQXVPNO-QGIFSCKFSA-N 423.597 3.621 0 1 HHAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cccc(Br)c1 299829136 TVRQIJHUBFBZDM-IBGZPJMESA-N 414.299 3.767 0 1 HHAF COC(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2n1 587231621 CJLKRRPSHZCXIW-UHFFFAOYSA-N 423.473 3.709 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccccc1Cl)CC2=O 587462916 SNBLSBOHHKSYJO-JOCHJYFZSA-N 416.857 3.991 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCNCC2)N1 587768371 UYLUNXKLFFDVKO-RBZFPXEDSA-N 404.327 3.621 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 587873282 XGOCOKYQFWNCHP-INIZCTEOSA-N 423.444 3.790 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccco2)c2cccc(F)c2CCN1[C@H]1CCSC1 962722143 ZAQPUFURNREQTG-NYHFZMIOSA-N 417.502 3.814 0 1 HHAF C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963017666 DEXVRWPAZCXVMA-NSMLZSOPSA-N 415.534 3.542 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@](C)(COc3ccccc3Br)c3cccc1c32 963018621 DKNIXYSVMBRGOY-ZUOKHONESA-N 401.304 3.797 0 1 HHAF COc1cccc2cc3c(nc12)[C@@](CCCC(=O)O)(c1cccc(N(C)C)c1)NCC3 963054291 IDUUMTCPJKWLKM-RUZDIDTESA-N 419.525 3.954 0 1 HHAF COc1cccc2cc3c(nc12)[C@](CCCC(=O)O)(c1cccc(N(C)C)c1)NCC3 963054293 IDUUMTCPJKWLKM-VWLOTQADSA-N 419.525 3.954 0 1 HHAF C[S@@](=O)c1ccc(Nc2ccc3ncc(-c4ccc([S@](C)=O)cc4)n3n2)cc1 1857544926 DIJKZNBNQKPKPU-WUFINQPMSA-N 410.524 3.615 0 1 HHAF CN(Cc1ccccc1)c1cc(-c2cccc3c(=N)c(C(N)=O)c[nH]c23)cc2n[nH]cc12 1857567583 SEMOSUZYPGSENA-UHFFFAOYSA-N 422.492 3.926 0 1 HHAF CC(=O)c1ccc(C2=Nn3c(nnc3-c3cc4ccccc4oc3=O)SC2)cc1 1857605769 PYIKQKFQYMLWOT-UHFFFAOYSA-N 402.435 3.612 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1=O 1857650621 HSNSZKWXNYFULU-UHFFFAOYSA-N 403.504 3.538 0 1 HHAF Cc1ncc(C)n2nc(-c3ccn4cc(-c5ccc(Br)cc5)nc4n3)nc12 1857748924 LXZYHIPEWSFKJR-UHFFFAOYSA-N 420.274 3.880 0 1 HHAF COc1ccc(C=CC[C@@H](c2ccc(OC)c(OC)c2)[C@@H](O)CCO)cc1OC 2356489043 HXCGBYDGJKYLDZ-OALUTQOASA-N 402.487 3.651 0 1 HHAF C[C@@H](CCCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356870243 XOUBHVKCXRSUEN-DFLBXCOKSA-N 422.606 3.839 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4204886 FWVVOHJECSTCGD-IEIRFRATSA-N 420.465 3.620 0 1 HHAF Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NC[C@@H]3CCCO3)cc12 4881585 GCODRBXHRJFHGP-IBGZPJMESA-N 424.545 3.547 0 1 HHAF COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)[C@H]1[C@H](OC(C)=O)C(C)(C)O[C@H]1O2 14683790 YRLRQNVYUYVRRD-GWZVBESQSA-N 424.449 3.944 0 1 HHAF biogenic Nc1ccn(CC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc34)c2)n1 26674992 UQOXPCCGMCTYIH-UHFFFAOYSA-N 422.876 3.542 0 1 HHAF CC(C)CN(CCCN1CCN(CCCNCc2ccccc2)CC1)CC(C)C 27212067 OZQZCHQKFXWKLS-UHFFFAOYSA-N 402.671 3.788 0 1 HHAF C[C@H](O)[C@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528320 MGSUIVHUDISMOK-QMHKHESXSA-N 409.505 3.804 0 1 HHAF O=C(NCC1CCOCC1)c1cnc(Nc2cc(F)cc(F)c2)nc1C(F)(F)F 28645383 SUQCZNPRHQYYQJ-UHFFFAOYSA-N 416.350 3.674 0 1 HHAF CC(C)C(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1 28949299 NNZBMHZCFBPVRU-KRWDZBQOSA-N 410.518 3.786 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C(=O)[C@@]21C 33820889 SEHGSGHDGHQINJ-GXZVESBLSA-N 406.563 3.657 0 1 HHAF CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 40602256 KBRBDQUPSTVBGF-DFCKQENNSA-N 420.553 3.875 0 1 HHAF O=C(COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 100624154 NUKMQEGPLUMHGV-BUYGKUCFSA-N 417.436 3.645 0 1 HHAF CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(C)cc23)[C@@H]1c1ccc(Cl)cc1 103202814 FCONSLXDDVQPLR-INIZCTEOSA-N 410.857 3.748 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@@H]2O 140302228 WBQJPXJXRZZHSP-FHGNATFXSA-N 402.443 3.675 0 1 HHAF O=c1c(N2CC[C@H](O)C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 143896016 WBQLTIHOUOWFAC-NRFANRHFSA-N 424.589 3.717 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)c1cnc2c(F)cccc2c1N1CCOCC1 201539758 OXOVWFXPXAJZIM-UHFFFAOYSA-N 406.866 3.697 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299887389 YTQIWACAWZKGIH-MHYXUVESSA-N 414.527 3.658 0 1 HHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587121471 FMRPZWGAJKEIIM-UHFFFAOYSA-N 411.347 3.961 0 1 HHAF CC1=C(c2ccc3nc(-c4ccc(Br)cc4F)[nH]c3c2)NNC(=O)C1 587142660 JTMNCKAYAVFDPT-UHFFFAOYSA-N 401.239 3.887 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc4n1CCN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587434848 BHPJWLTXBGZKBY-KKSFZXQISA-N 410.470 3.736 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(C)cc1C)CC2=O 587483461 XAGVNTREFMKMSQ-DEOSSOPVSA-N 410.466 3.954 0 1 HHAF O=C1C[C@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)Oc2c1ccc1c2CCCC1 587532252 PAUKWEZSPUJQNJ-JOCHJYFZSA-N 411.523 3.507 0 1 HHAF COC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593302 LFPGQMIBWLCXQG-HMHJJOSWSA-N 416.429 3.985 0 1 HHAF C[C@H](Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587593310 IRMPXRIIDARPRZ-PSMUNZOPSA-N 406.390 3.947 0 1 HHAF O=C1C[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CO1 587618981 VWKKQBBOVXBSLU-LYAKXMMSSA-N 402.402 3.812 0 1 HHAF CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cc(F)ccc12 587637123 VPFNXSAMVGRRSQ-UHFFFAOYSA-N 400.406 3.841 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2C)N1 587681959 SOVRAOYNUCZYAO-UHLUBPPHSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 587760091 XAHHEMWCLCAOOR-BIBXISHDSA-N 416.294 3.652 0 1 HHAF COc1ccc(C)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587799096 WDPLYBVQOIGTTC-OVWNDWIMSA-N 405.267 3.635 0 1 HHAF CCOC(=O)C[C@@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587853498 NNIAHQNQBSLOTM-BMLIUANNSA-N 413.312 3.776 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cc[nH]c2)[nH]n1 587863741 SKBKOQIZMKWIPT-UHFFFAOYSA-N 401.348 3.984 0 1 HHAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1nccn1C 653853399 XRMQFDSCUPACJQ-UHFFFAOYSA-N 409.421 3.848 0 1 HHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1 962979463 SIQPXEAVUMFOOF-KDOFPFPSSA-N 407.779 3.631 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)NCCc2c(OC)ccc(Cl)c21 963259754 UHIQNPVEJBZSLH-OAQYLSRUSA-N 423.843 3.538 0 1 HHAF Cn1cc(-c2ccc3nc(NC(=O)CC(F)(F)F)cn3n2)c(-c2ccc(F)cc2)n1 1772570037 HZTSWFIIOGFCSV-UHFFFAOYSA-N 418.354 3.827 0 1 HHAF CCCc1nc2ccc(F)cn2c1C(=O)NCCOc1ccc(Br)cc1 1857563478 YZPDIPMYLWAFKU-UHFFFAOYSA-N 420.282 3.997 0 1 HHAF COc1ccc(-c2cn3cc(C4=CCN(C(=O)N(C)C)CC4)ccc3n2)cc1OC 1857585862 VXDIPMWTJMLUQX-UHFFFAOYSA-N 406.486 3.789 0 1 HHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CCN(CCOC)CC3)C=C2C)o1 2356692121 JUWSUUZIQZQMKE-BHDDXSALSA-N 418.626 3.683 0 1 HHAF CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)CC[C@H](O)C(C)=C[C@H]4O[C@H]3[C@H]2[C@H]41 2356789838 DTZQQIJZAUNNON-CYEWBUEJSA-N 406.563 3.880 0 1 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 36378264 MIZKCYNMSIRCPU-FJNPEDAXSA-N 419.312 3.936 0 3 HHAF Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)c1 1512316 ADXGMHLZJBZOEO-UHFFFAOYSA-N 415.540 3.930 0 1 HHAF C[C@]1(O)OC(=O)C(c2ccc(Cl)cc2Cl)=C1c1ccc(S(C)(=O)=O)cc1 13488615 WRPMIPDHDGLSQV-SFHVURJKSA-N 413.278 3.573 0 1 HHAF COc1ccccc1N1CCN(CCN(C)[C@@H]2CCCc3c(OC)cccc32)CC1 22938383 HLQOTKYQYOTGSD-JOCHJYFZSA-N 409.574 3.835 0 1 HHAF CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1CC(=O)NCCOC 25429776 LDUHJQAKSSUGRN-LSDHHAIUSA-N 415.456 3.738 0 1 HHAF biogenic CCC1(CC)C(=O)N(C(=O)NCc2ccccc2C)[C@H]1Oc1ccc(C(=O)O)cc1 27205236 TXGHTWKFHBZVGA-NRFANRHFSA-N 410.470 3.957 0 1 HHAF CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(Br)cc1 28569022 YGWPVDDZRPBELC-UHFFFAOYSA-N 405.200 3.810 0 1 HHAF O=C(NCC1CCOCC1)c1cnc(Nc2cccc(F)c2F)nc1C(F)(F)F 28645380 ZMMGQAGNBUMVQX-UHFFFAOYSA-N 416.350 3.674 0 1 HHAF Cc1ccc(N2C(=O)c3ccccc3[C@](C)(C(=O)O)[C@@H]2c2ccc(CO)cc2)nc1 36376240 LXKRDFLNHVMALX-URXFXBBRSA-N 402.450 3.626 0 1 HHAF O=C([C@@H]1CCc2c(Cl)cc(OCc3cccc(Cl)c3)c(=O)n21)N1CCCC1 40916817 FOKXKSUNJHHCDF-KRWDZBQOSA-N 407.297 3.844 0 1 HHAF C[C@H](c1ccccc1)[C@@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O 49720603 ZSMKXHCBQZQPGO-HUJREVKFSA-N 407.510 3.819 0 1 HHAF Cc1cc(C)nc(N2CCC3(CCCN(Cc4cn(C)c5ccccc45)C3=O)CC2)n1 96285051 PVPZCYTVIMWDJE-UHFFFAOYSA-N 417.557 3.994 0 1 HHAF CCCN1CCN(c2ncc(CCN(C)C(=O)c3ccc(Cl)cc3)s2)CC1 98084369 MIEFUTLXERUOMP-UHFFFAOYSA-N 406.983 3.643 0 1 HHAF C[C@H]1CC[C@@H](Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1 118561237 FULUINOHYCLIMM-PKOBYXMFSA-N 413.481 3.888 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnn(-c3ccc(F)cc3)c2)n1 142120299 QFATVDJWCRBEEE-RDTXWAMCSA-N 410.453 3.956 0 1 HHAF COc1cc(F)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204149525 CBBWGFHEXFNSKG-UHFFFAOYSA-N 407.449 3.699 0 1 HHAF O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCC(O)CC3)ccc21 205630059 MEXJNVCCWNUUOZ-UHFFFAOYSA-N 415.902 3.631 0 1 HHAF Cc1c(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cnn1C1CCNCC1 584905562 UMHKPLNSKRNIJU-UHFFFAOYSA-N 408.897 3.618 0 1 HHAF in-vitro CN(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928681 GXQTZUBVVWHHBN-UHFFFAOYSA-N 405.694 3.739 0 1 HHAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)n2)cc1 587112645 LEXLKWQWMGLKFF-UHFFFAOYSA-N 414.178 3.985 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)c(F)cc2[nH]1 587120564 AFMLFMALMXADQY-UHFFFAOYSA-N 413.762 3.779 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239147 ILGNJEMUUWVYEQ-DHZVRSILSA-N 415.490 3.816 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@@H]2CCCO[C@@H]2C1(C)C 587239958 PKKAMNPPZXBJAA-WAQMSGSHSA-N 415.490 3.847 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379375 UKMIKLLHYUBCQS-OAQYLSRUSA-N 401.846 3.614 0 1 HHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 587561408 POFQUWAEMOYWOS-SGVIGPMKSA-N 419.481 3.720 0 1 HHAF CCn1ncc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587584265 ZEMVDRWWJKWDHE-UTXUYHSBSA-N 419.481 3.849 0 1 HHAF O=C(O)C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587613055 XJRSMVZUXFWPIG-XXBNENTESA-N 402.358 3.610 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587732270 JDNXIFINHGVSGI-MGNBDDOMSA-N 405.246 3.672 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 587762268 RWOKIBNCOSXMMU-BDJLRTHQSA-N 417.278 3.850 0 1 HHAF Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587829595 RHWZEXVGROBXBN-YUNKPMOVSA-N 420.278 3.984 0 1 HHAF Cc1ccnc2c1CCN[C@]2(c1cccc(CN2CCOCC2)c1)c1ccccc1F 963087060 KZIHONVCKWGNJO-AREMUKBSSA-N 417.528 3.799 0 1 HHAF CC(=O)OC[C@]1(C(=O)O)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C 2356408631 LHKQQWKOWNPPSN-VHJSDVIJSA-N 418.530 3.815 0 1 HHAF COc1ccccc1CNC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O 2356551280 XWHQPOJMJWKSGV-IMSXRSKXSA-N 408.498 3.591 0 1 HHAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H](CCSC)n1cccc1 2356763831 UIJKCOXPFDVUFE-PCCBWWKXSA-N 407.624 3.522 0 1 HHAF OCC1(CCCc2ccccc2)CCN(Cc2cnc(N3CCOCC3)s2)CC1 13594184 RXISIUKPHHCGCH-UHFFFAOYSA-N 415.603 3.577 0 3 HHAF COc1cc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)ccc1O 19550004 ZLKIBTOQISIPFV-JOCHJYFZSA-N 405.502 3.650 0 3 HHAF COc1ccccc1N1CCC(CNC[C@@H]2COc3ccc(Cl)cc3O2)CC1 1546255 QHLRKDSRGUZHSH-GOSISDBHSA-N 402.922 3.995 0 1 HHAF investigational O=C(O)CC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 13447352 PLNFKYPQSOGZAX-OSGQAZFXSA-N 420.937 3.778 0 1 HHAF CCOC(=O)c1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862147 CWQKVURILCLLER-UHFFFAOYSA-N 416.429 3.763 0 1 HHAF NC(=O)[C@@]1(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCc2ccccc2C1 26383424 OZZIMKCUBHQQRG-OAQYLSRUSA-N 421.324 3.682 0 1 HHAF C[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccc(O)cc1 27559139 KOYJFOQYVCNACC-OSWQYVSFSA-N 410.558 3.835 0 1 HHAF CN(Cc1ccccn1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4 28570931 HCKAVZICHGEMCS-UHFFFAOYSA-N 410.477 3.720 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(N2CCn3c(-c4ccccc4)cnc3C2)nc1 28824519 QAEUSKYACLQZEH-UHFFFAOYSA-N 410.481 3.800 0 1 HHAF O=C(Nc1ccc2c(c1)CCN2[C@@H]1CCN(Cc2ccc(O)cc2)C1)c1ccco1 45186571 ARSGDHYDLDDGFK-HXUWFJFHSA-N 403.482 3.875 0 1 HHAF C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O 45245536 YVOHUYLNINAICN-KNQAVFIVSA-N 407.510 3.949 0 1 HHAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccccc1N 82082208 YRZCCZUNLPCOJW-IBGZPJMESA-N 423.542 3.540 0 1 HHAF Cc1ccc(S(=O)(=O)N[C@H](/C(=C/c2cccs2)[N+](=O)[O-])c2ccco2)cc1 84670630 MDRJVAMGQRIQGY-XSVZSIDJSA-N 404.469 3.987 0 1 HHAF CN[C@@H](CC(C)C)C(=O)N[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21 96921260 JLWPCAPHVWDEPI-NBYUQASBSA-N 411.512 3.666 0 1 HHAF O=C(c1cccc(F)c1)c1cc(F)ccc1/C=C\OCCN1CCC[C@H](C(=O)O)C1 96923619 OQOWWWFOFMMLDT-YFWYWMRJSA-N 415.436 3.980 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3-c2ccccc2C)nc1 142239320 MNDBFJPWTMCRLX-KRWDZBQOSA-N 400.482 3.815 0 1 HHAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261182897 WMLONRUBOXAPOV-UAPYVXQJSA-N 401.551 3.815 0 1 HHAF CCCn1c(C)nnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 299857822 DBNQCSLDUVNFOG-LJQANCHMSA-N 418.950 3.912 0 1 HHAF CC(C)Oc1cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2cc1Br 586931533 XHRQPSPQFPJPAL-UHFFFAOYSA-N 424.320 3.568 0 1 HHAF Fc1cnc(Br)c2[nH]c(C(F)(Br)Br)nc12 587087797 UTHQXFQVYZJRHQ-UHFFFAOYSA-N 405.822 3.729 0 1 HHAF Cc1nc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1Br 587147890 CKRPYXYSPSDECN-LLVKDONJSA-N 421.245 3.823 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 587182857 SYNFOCMFMYUMNS-ZCFIWIBFSA-N 422.057 3.984 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)O2 587389345 JWWNRDZOWFHJOD-JTHBVZDNSA-N 416.437 3.607 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(Br)cnn1[C@H]1CCCCO1)[C@@H](C2)C3=O 587412576 IYPNMEFSGPXJNS-IOHHAYIISA-N 419.275 3.842 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CN(C(=O)OCc5ccccc5)C[C@@H]4C1)[C@@H](C2)C3=O 587440753 BRWWTLZFLGFBPP-NOEFBULQSA-N 419.477 3.860 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2c(c1)CCC2 587602651 IYIICTDSWLLLPG-YKSBVNFPSA-N 402.402 3.823 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COC(=O)c2ccccc2N)N1 587745421 FRLQSZJRUTUTAP-JEOXALJRSA-N 407.283 3.777 0 1 HHAF COC(=O)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 587767484 BCTHXJSRMRJRQW-BTDLBPIBSA-N 418.266 3.646 0 1 HHAF CCOC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587770025 HPYZZJYOJJUESQ-NSPYISDASA-N 407.283 3.958 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808766 OOOUZPSJEKQIOD-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF CC(=O)c1ccc2c(c1)[C@]1(CCC[C@@H](C)C1=O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962622146 CGHCKOYVFSETMQ-UTAGQHFDSA-N 415.486 3.720 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCc3nc(Cl)sc3C2)N1 962975760 YLIJEUYUCQFNLB-MGPLVRAMSA-N 405.253 3.711 0 1 HHAF O=C1C[C@H](c2ccc(F)cc2)[C@@H](n2cncn2)[C@@]2(C1)NCCc1cc(Cl)ccc12 963391684 WUBBVSNPVXTGHV-FCEUIQTBSA-N 410.880 3.800 0 1 HHAF COc1cc2nc(N(C)c3ccccc3)nc(NC3CCN(C)CC3)c2cc1OC 1772579312 LSNVRHZIUYXNRN-UHFFFAOYSA-N 407.518 3.921 0 1 HHAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772592651 QFMHZXJZAJVBFJ-HPZZRFSDSA-N 418.481 3.763 0 1 HHAF Cc1cc(C)n(CC(=O)Nc2cc(C(=O)c3cn(C(C)C)c4ccncc34)ccn2)n1 1772606256 WHZDTDKSHUSSEB-UHFFFAOYSA-N 416.485 3.695 0 1 HHAF CC(C)c1c(CC2CCCCC2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O 1772658139 VPGJKCIXKGJVAA-UHFFFAOYSA-N 404.482 3.807 0 1 HHAF COc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1 1857553389 RSPWRULZXAZJMI-UHFFFAOYSA-N 404.392 3.777 0 1 HHAF CCN(CC)CC(=O)NCCN=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12 1857585237 NSYFGJBCUKVIHV-CCEZHUSRSA-N 402.542 3.697 0 1 HHAF CCc1cnn(C)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1 1857604300 GOWLUXDLUCSHQJ-ZWKOTPCHSA-N 412.534 3.726 0 1 HHAF CC[C@@H](c1nnnn1Cc1ccccc1)N1CCC(n2c(O)nc3ccccc32)CC1 72136650 AXAPZZJDJVLKTO-FQEVSTJZSA-N 417.517 3.565 0 3 HHAF COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(Br)c2F)cc1 1996285 IAPZMOXNDIVGNQ-UHFFFAOYSA-N 414.174 3.815 0 1 HHAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC 4049537 BHELPVDWHSEXAE-AZUAARDMSA-N 412.486 3.721 0 1 HHAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2c(Cl)cccc2Cl)CC1 13560128 LAONLJLGRHVSLN-UHFFFAOYSA-N 424.372 3.825 0 1 HHAF O=C(c1cccc(F)c1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 27557355 OIFHTMLNBMLSPV-UHFFFAOYSA-N 406.392 3.579 0 1 HHAF CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1 28950092 DPAOHEUWPLGQDY-UHFFFAOYSA-N 405.412 3.951 0 1 HHAF O=C(O)c1cn(CCCO)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O 33817934 KNKLHDMRTGLSFZ-UHFFFAOYSA-N 406.265 3.980 0 1 HHAF Cc1ccc(CCCNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C 38346550 JYJFYPANGZFUDB-MRXNPFEDSA-N 406.523 3.667 0 1 HHAF CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCN(C)C2 84605450 ORBXXIQKZFKULT-SMKJWIIHSA-N 401.576 3.641 0 1 HHAF COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 85957178 USYOOQFISINJLZ-ZCRXQZCSSA-N 406.519 3.959 0 1 HHAF in-man O=C(c1ccccc1F)c1cc(F)ccc1/C=C\OCCN1CCC[C@@H](C(=O)O)C1 96923624 YLFLEEKXJUNEEA-QJWNTBNXSA-N 415.436 3.980 0 1 HHAF CC(=O)c1cccc(OCCCN2CCN(C(=O)c3ccccc3Cl)CC2)c1 103197309 IGVLXWKHDBYTCG-UHFFFAOYSA-N 400.906 3.770 0 1 HHAF O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCCOCC1 144216665 HBRXAZOWKVPYGT-UHFFFAOYSA-N 414.469 3.626 0 1 HHAF CC(=O)N[C@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(C)cc1 587207843 XLRKVAZEYFKKED-OAHLLOKOSA-N 416.275 3.752 0 1 HHAF CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587390820 OGYVZUNJEMDMMZ-XMMPIXPASA-N 405.498 3.798 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1)O2 587392277 SEEQGLRTAUEQKS-RUZDIDTESA-N 412.445 3.734 0 1 HHAF CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc21 587572921 XNKFOJGGQFNAIV-AUSIDOKSSA-N 405.381 3.755 0 1 HHAF CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834504 LAPIYHNYCWMAHS-HXPMCKFVSA-N 414.315 3.698 0 1 HHAF Oc1cc(O)c2c(n1)CCC[C@@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948782 BYWXAGZQDHJUMR-NRFANRHFSA-N 420.431 3.743 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(C[C@H](C3CC3)N(Cc3ccccc3)C2)N1 963229405 KQZFSEMTOAHVOD-GSLIJJQTSA-N 413.521 3.714 0 1 HHAF COc1cccc2c1[C@]1(C[C@H]2NC(=O)C(F)(F)F)NCCc2cc(Cl)ccc21 963379470 IKUYZEOBUZVEJE-DNVCBOLYSA-N 410.823 3.861 0 1 HHAF CN1CCN(c2ccc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)CC1 1857575250 DWQTYPYIOCOWBG-UHFFFAOYSA-N 421.508 3.758 0 1 HHAF COc1cccc(CC(=O)Nc2nc3ccc(C)cn3c2C(=O)NC2CCCC2)c1 1857585374 XPHJBJHPGNTKDF-UHFFFAOYSA-N 406.486 3.505 0 1 HHAF Cc1c2c(ccc3c(=NCc4ccc(C(=O)NC5CCCC5)cc4)[nH]cnc32)nn1C 1911579567 BIDRTJVDWVKIEN-UHFFFAOYSA-N 414.513 3.531 0 1 HHAF CC(C)CCCCCCCC[C@@]1(O)C=C[C@H]2N(CCCCNC(=N)N)CCCN21 2356834688 KDUUTAXPCABVAX-JTHBVZDNSA-N 407.647 3.619 0 1 HHAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 2489330 OMBIAISDMYBHLH-CTNGQTDRSA-N 416.562 3.748 0 1 HHAF COc1cccc(Cn2c(=O)c(C)nc3cnc(Oc4cccc(Cl)c4)nc32)c1 4238307 BNBWGPORZJPMDH-UHFFFAOYSA-N 408.845 3.998 0 1 HHAF COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCCC[C@@H]3C)c(C)o2)cc1 5057848 YQQKIZACDYMBKR-JWPZTYLUSA-N 404.532 3.602 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 13543216 LOGQGKJLNOCUQM-XDFFKFLRSA-N 404.547 3.865 0 1 HHAF COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1 13779299 GULFHUMYUCZNOA-UHFFFAOYSA-N 418.335 3.770 0 1 HHAF O=C(c1cccc(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 13782326 UNDZGVGFCUPWDT-UHFFFAOYSA-N 409.921 3.563 0 1 HHAF O=S(=O)(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 13803047 QLYIRHSAPZHVEX-UHFFFAOYSA-N 418.522 3.774 0 1 HHAF Cc1oc(-c2ccccc2)nc1C(=O)COc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26578299 AIYMQIHPXLABBR-GOSISDBHSA-N 422.462 3.806 0 1 HHAF CCCc1c(OCCCOc2cccc(OCC(=O)O)c2)ccc(C(C)=O)c1O 29479465 CWQKHAHDLWFTAV-UHFFFAOYSA-N 402.443 3.859 0 1 HHAF C[C@H]1CN(c2ncc(-c3ccc(CNC4Cc5ccccc5C4)cc3)cn2)C[C@@H](C)N1 45193304 HXMVNVXYTWSFMO-KDURUIRLSA-N 413.569 3.587 0 1 HHAF Nc1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@H]2C2CC2)cc1 45254279 IWSPIYBYHBQJGN-LJQANCHMSA-N 402.426 3.597 0 1 HHAF Cc1cnc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ccc(F)cn3)n2)s1 49053703 XCGHYXHBCOQVTC-ZDUSSCGKSA-N 415.498 3.529 0 1 HHAF investigational CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccccn3)CC2)o1 53294713 AYPLAKOELNPKFX-UHFFFAOYSA-N 405.546 3.601 0 1 HHAF CC1(C)CC(NC(=O)CCC(=O)Nc2ccc(Br)cc2)CC(C)(C)N1 66260046 NFBHUXBFHPUJAT-UHFFFAOYSA-N 410.356 3.593 0 1 HHAF CCCN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O 72125025 OOIAKLSSDOZIEW-UHFFFAOYSA-N 406.530 3.909 0 1 HHAF CCCCN(CC)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 82067016 YUBBLVZHRQDUCL-UHFFFAOYSA-N 403.527 3.729 0 1 HHAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 82070926 WEAUJGLZMJGQGI-OAHLLOKOSA-N 420.531 3.687 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2 82212224 NHTXVYCSBKMPRQ-LBPRGKRZSA-N 411.333 3.810 0 1 HHAF CCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(-c4nn[nH]n4)oc23)cc1 100692636 DRZCVJURKCMFPB-UHFFFAOYSA-N 419.441 3.794 0 1 HHAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)cc1C 201536374 LBXCPHMXAKVRJW-UHFFFAOYSA-N 400.475 3.660 0 1 HHAF CC(C)(C)CC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 299812768 RHYRXROSVKTLCJ-QAPSPDJPSA-N 423.553 3.642 0 1 HHAF CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)O[C@@H](C)C(F)(F)F)c1F 299840353 VDOSWDJOWZBZEE-LBPRGKRZSA-N 423.403 3.508 0 1 HHAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 586946446 QEXFVBXFPSEDTP-OAHLLOKOSA-N 419.934 3.957 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2cc(F)c(Br)cc2[nH]1)C(F)(F)F 587126943 IVEJWWVZSQJQSP-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(I)c1)[C@@H](C2)C3=O 587428733 QLEBRPFAHDKITQ-APPDUMDISA-N 410.182 3.928 0 1 HHAF COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587434739 AILPUQXIPCQRJH-YADARESESA-N 401.418 3.674 0 1 HHAF COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587768491 CZNKZVNMLHZHCE-WYRIXSBYSA-N 423.282 3.634 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@H]1CCCN(Cc3ccccc3)C1)C2 1772626541 IFAUDIFDZPQQDU-GHTZIAJQSA-N 423.509 3.514 0 1 HHAF COc1cccc(-n2cc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)c1 1857643370 JRWWRNYQACWEOK-UHFFFAOYSA-N 400.417 3.827 0 1 HHAF COC1=C(C)C(=O)OC1=C1O[C@@H]2CCCn3c([C@@H]4C[C@H](C)C(=O)O4)ccc3[C@@H]2[C@H]1C 2356637096 GZYSVEMTTMYHDO-PCWYZGSCSA-N 413.470 3.713 0 1 HHAF COc1cccc2nc(C[C@H]3CN(C(=O)C4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356743487 GHSXIQMNOPGDKZ-SJORKVTESA-N 413.518 3.634 0 1 HHAF CC(=CC=CC=C[C@]1(C)[C@H](C)C(=O)O[C@@H]1[C@H](C)C(=O)O)[C@@H]1[C@H](C)C(=O)[C@](C)(O)[C@H]1C 2356822286 FTWALXVHOVPIMY-KTVOXAAJSA-N 418.530 3.556 0 1 HHAF COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 61923139 XXHHWONTAYXONL-DNVJHFABSA-N 424.545 3.620 0 3 HHAF O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 95568149 JQEWGEWXMARASS-XMMPIXPASA-N 417.509 3.732 0 3 HHAF COc1ccc(Cn2nc(C(F)(F)F)c(Cc3ccc4c(c3)OCO4)c2O)cc1 1485367 QDFIMQLWOJAWDD-UHFFFAOYSA-N 406.360 3.984 0 1 HHAF CN(CCO)CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13781673 YXMFOQPUDZYAEQ-NRFANRHFSA-N 422.635 3.875 0 1 HHAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccccn3)CC1)OC(C)(C)C2 27894049 WMKWVXJNJARLOH-HXUWFJFHSA-N 411.546 3.704 0 1 HHAF COc1cc(N2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 28231707 XBXYTOSBRAWYLD-GOSISDBHSA-N 413.949 3.953 0 1 HHAF Cn1c([C@@](C)(O)CS(=O)(=O)Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 28890444 DOKWLUMHOZSYBP-SFHVURJKSA-N 413.326 3.703 0 1 HHAF CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O 38559188 WQOIBEIDPNPUJJ-WNSKOXEYSA-N 408.452 3.532 0 1 HHAF COCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccccc2)n1 82133738 LWLRDRKYDFSTPI-UHFFFAOYSA-N 420.513 3.573 0 1 HHAF COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@H](N)C1 95552067 HJQJTLZUAGIKTI-ZDUSSCGKSA-N 424.444 3.722 0 1 HHAF O=C(NCCCNc1nc(Nc2cnn(C3CCC3)c2)ncc1C1CC1)C1CCC1 95563097 WFLUXPNQSNOSDL-UHFFFAOYSA-N 409.538 3.737 0 1 HHAF Cc1ccc(C)c(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167683810 WCKBEYNHXITTDI-UHFFFAOYSA-N 415.537 3.829 0 1 HHAF COc1cccc(Nc2ccc(CCNC[C@@H](O)c3ccc(O)c(CO)c3)cc2)c1 169351234 GYFAUZMSCNTVFO-XMMPIXPASA-N 408.498 3.502 0 1 HHAF O=C(CCc1ccccc1)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@H](O)C2 215356132 ZOGKFZFUSNPOTE-GGAORHGYSA-N 406.434 3.656 0 1 HHAF CC(C)(C)[C@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1 221606132 XLGWOHXRFDSAJJ-HSZRJFAPSA-N 420.532 3.960 0 1 HHAF COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)[C@@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255287455 ZODJZVRYUQWYON-HXYFFIJNSA-N 422.606 3.537 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586944234 OMPOPZRGYRZRFY-UHFFFAOYSA-N 418.931 3.861 0 1 HHAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(F)cnc3[nH]2)ccc1Cl 586963296 GVYMSEFSPMOWTE-UHFFFAOYSA-N 416.869 3.882 0 1 HHAF Sc1nc(S)c2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 586975718 IGDCVCVUIRJUON-UHFFFAOYSA-N 403.714 3.925 0 1 HHAF COC(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1OC 587006564 HBLWUAFQVXCDIU-UHFFFAOYSA-N 401.220 3.664 0 1 HHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587039378 RLPXPHQKOJZRNI-UHFFFAOYSA-N 401.427 3.753 0 1 HHAF O=C(O)c1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040559 HZMCIEPWSJZIDL-GJZGRUSLSA-N 418.316 3.970 0 1 HHAF COC(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1OC 587168483 XRYGADDZPHTABJ-INIZCTEOSA-N 412.421 3.866 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2cnc3ccccc3c2[nH]1 587178953 OSBMHRSLVAJKCB-UHFFFAOYSA-N 416.222 3.974 0 1 HHAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@H](C(=O)O)[C@H]2C3)c1 587364088 WYPAYVIKZYDNFZ-JIGPKXGUSA-N 400.434 3.969 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCN1CCOCC1)(c1cc4ccccc4o1)[C@@H](C2)C3=O 587444439 PPGLJYHEJKZCAH-UQBPGWFLSA-N 419.477 3.807 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582977 SGUUPWOTSJOBRV-NZQKXSOJSA-N 422.437 3.557 0 1 HHAF CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 587596186 RFZIQORVQMVDQG-DHLKQENFSA-N 416.477 3.847 0 1 HHAF COc1ccc(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)cc1OC 653795834 RAEHGBLXUBDQLP-UHFFFAOYSA-N 401.898 3.707 0 1 HHAF COc1ccccc1[C@]1(CCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962767741 QOOXGADFVGJOTF-DYESRHJHSA-N 421.415 3.839 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@H](O)[C@@H](F)C1 1772611741 UGTQZSTXWDRYAP-YOEHRIQHSA-N 421.350 3.596 0 1 HHAF Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4ncccc4Cl)cc3)n2)cn1 1911576899 ADAPNHDAVCDSDS-UHFFFAOYSA-N 421.848 3.552 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)NC2CCCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305907 SDJCBWBHYHJOKV-HUUCEWRRSA-N 416.497 3.700 0 1 HHAF O=C(C[C@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 2356505131 SLMMZNONABTNIB-ZEQRLZLVSA-N 401.506 3.838 0 1 HHAF CC1=C[C@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 2356517814 VPTDWYWLLZTIDS-HBMCJLEFSA-N 405.627 3.558 0 1 HHAF CC1=C[C@H](CN2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356830934 JKDRXXAYGOKIEE-BDTNDASRSA-N 409.578 3.776 0 1 HHAF CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)c3ccccc3OC)C2)c1C 13595566 LMSWTMNQRCIKIR-MRXNPFEDSA-N 412.486 3.552 0 3 HHAF CNc1nc2cnc(Nc3ccc(OC)nc3)cc2n1Cc1ccc(OC)c(OC)c1 82083023 SAUSOSDVKXCWHK-UHFFFAOYSA-N 420.473 3.686 0 3 HHAF Cc1c(CN(C=O)c2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 5891422 CIURVVJJFVTBEE-UHFFFAOYSA-N 411.680 3.621 0 1 HHAF CCN1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C 11868413 OOCIVEAKUUAJAJ-INIZCTEOSA-N 424.574 3.728 0 1 HHAF Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12 13641481 KROKICGNSBBBTA-UHFFFAOYSA-N 418.545 3.710 0 1 HHAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(SC)cc2)c1=O 25416696 SNSYQZWALAVQKO-ZBFHGGJFSA-N 400.569 3.546 0 1 HHAF biogenic CN(C(=O)NC(=O)c1ccccc1)C1CCN(CCc2c[nH]c3ccccc23)CC1 27985424 OJSAFKDVOJXXOQ-UHFFFAOYSA-N 404.514 3.657 0 1 HHAF O=C(Nc1ccccc1C(=O)N[C@H](CO)Cc1ccccc1)c1cc2ccccc2[nH]1 40394738 MCSGUJFCWFBMJE-IBGZPJMESA-N 413.477 3.754 0 1 HHAF COc1ccc2nc(C)cc(-n3cc(CN4CCN(C5CCCCC5)CC4)nn3)c2c1 64503432 NNRNRZMAUKTYIR-UHFFFAOYSA-N 420.561 3.583 0 1 HHAF COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CC[C@H]2CCCN2C)ccc1O 82177822 PWGOYDBILXXSOC-QGZVFWFLSA-N 424.549 3.760 0 1 HHAF CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 84617150 GPFBOILGPPNQAT-FGZHOGPDSA-N 406.530 3.722 0 1 HHAF CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)c1ccccc1 95588795 KCSMKURFVVURBC-LOSJGSFVSA-N 416.565 3.842 0 1 HHAF CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](C(C)C)C1 101282965 JOCGWOQFKXCOGL-FYAAGUIMSA-N 413.650 3.991 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1Cc1[nH]nc(C(F)(F)F)c12 114844971 GIDDZCBUKLSXSR-MFKMUULPSA-N 405.829 3.923 0 1 HHAF CC(C)(C)CC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169361824 RHYRXROSVKTLCJ-RIOAYIKASA-N 423.553 3.642 0 1 HHAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 299882489 PVCDJTCVRRXCAW-FUDKSRODSA-N 419.525 3.687 0 1 HHAF CCOC(=O)C(C(=O)OCC)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989630 MWJVHZUOAVAWQY-UHFFFAOYSA-N 419.433 3.670 0 1 HHAF Ic1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587040344 HDIFICIFGGBFJU-KGLIPLIRSA-N 422.295 3.509 0 1 HHAF CC[C@H](c1nc2cc(F)cc(F)c2[nH]1)n1cc(I)c(C)n1 587186420 WAGIKRJIWCKGMG-GFCCVEGCSA-N 402.186 3.950 0 1 HHAF COc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1OCC(=O)NC(C)C 587225127 QPXSTCQVMXKPFW-UHFFFAOYSA-N 408.380 3.556 0 1 HHAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587230548 HVHPOTBPQARTRN-UHFFFAOYSA-N 422.529 3.808 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H](C2)C3=O 587412497 IJQWURPJKVAHAZ-KPZWWZAWSA-N 405.244 3.964 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4N/C1=C\Cl)[C@@H](C2)C3=O 587421304 LAPOLYCVLSLHFX-KOGNSTDNSA-N 410.857 3.807 0 1 HHAF C[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531666 KPCPQOGMNABBNY-HXUWFJFHSA-N 405.903 3.747 0 1 HHAF COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594291 NYQMKGZWMYCGAO-DCLXLUIPSA-N 402.402 3.606 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 587744829 TYHDXPNKWMGHPD-CDNVCLAFSA-N 421.314 3.593 0 1 HHAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 587760028 NSRLJINSMRFTQW-APBUJDDRSA-N 407.283 3.668 0 1 HHAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(NC[C@@H](C)O)nc12 653721989 BEMMPKXTCFGEAN-OAHLLOKOSA-N 417.517 3.943 0 1 HHAF O=c1c2cc(N3CCN(c4ccccc4F)CC3)ccc2ncn1Cc1ccccc1 653867776 PEDIVRULQIIGRN-UHFFFAOYSA-N 414.484 3.911 0 1 HHAF COc1cccc2c1[C@]1(C[C@@H]2NC(=O)C(F)(F)F)NCCc2cc(Cl)ccc21 963379471 IKUYZEOBUZVEJE-HNAYVOBHSA-N 410.823 3.861 0 1 HHAF Cc1cc(C)c2c(OCCCC(=O)N3CCN(c4ccccc4)CC3)nsc2n1 1772574425 ITVYFXAQCRJTCF-UHFFFAOYSA-N 410.543 3.816 0 1 HHAF Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12 1857591802 OMNPLHXGJGPQIG-UHFFFAOYSA-N 415.515 3.686 0 1 HHAF COc1cc(F)ccc1N=c1nc[nH]c2sc(C(=O)N3CCCCC3)c(C)c12 1857596005 HTVMBCDMXMKUHX-UHFFFAOYSA-N 400.479 3.939 0 1 HHAF COc1cc(CC[C@]2(OC(C)=O)CC[C@@H](CCCCCCO)[C@@H](O)C2)ccc1O 2356512978 MZUJFBWKTSQUIW-NWSQWKLXSA-N 408.535 3.739 0 1 HHAF CC(=O)[C@@H](O)C(=C[C@@H](O)C(C)=O)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)O1 2356589798 SPDXMPWYKQHATD-YCBQTKSGSA-N 406.563 3.603 0 1 HHAF COC(=O)N[C@H](C=Cc1ccccc1)[C@]1(C)C(=O)O[C@@H](CCc2ccccc2)C[C@H]1O 2356696835 VJDFRABJMBBXJW-OUMCCJGNSA-N 423.509 3.740 0 1 HHAF COc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1 205711628 ZZKKKGUGYAEVBT-KNLNXMFASA-N 400.519 3.881 0 3 HHAF CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc21 1493859 FPDZVPWWAWOFQS-UHFFFAOYSA-N 405.546 3.697 0 1 HHAF Cc1ccc(Nc2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n(C)n2)cc1 1645186 OEJYSZFVMRVPGT-UHFFFAOYSA-N 423.951 3.918 0 1 HHAF CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccc(F)cc4)c(C)c23)c1 3819153 FRJDUOUUAITKDG-UHFFFAOYSA-N 417.444 3.819 0 1 HHAF O=C(c1ccccc1)N1CCc2nc(O)n3cc(-c4cccc(Cl)c4)nc3c2C1 13492065 YFDMEZAYNJAHMQ-UHFFFAOYSA-N 404.857 3.954 0 1 HHAF COc1ccccc1OCCNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13517511 ODHPQKBPZNUARX-QFIPXVFZSA-N 405.494 3.980 0 1 HHAF CC(C)=CCC/C(C)=C/CCC(C)(C)CCNC(=O)[C@@H](CP(=O)(O)O)C(=O)O 13742378 XTWQCOYJSBBHQW-BRVCPTFNSA-N 417.483 3.870 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@@H](C)[C@](C)(O)C2 14692440 LZUYISWUVHJQPR-SFDCACGMSA-N 418.486 3.588 0 1 HHAF biogenic COc1cc(OC)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl 14974446 DWEOJWDYGBZNEF-UHFFFAOYSA-N 417.893 3.910 0 1 HHAF COC[C@@H](C)n1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 15940727 SFAMAFXNTDETHQ-BVIKNXMNSA-N 417.575 3.779 0 1 HHAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 22941441 MHVPLSWUUSVXMG-KRWDZBQOSA-N 417.475 3.801 0 1 HHAF C[C@H](NC1=NS(=O)(=O)c2sc(Cl)cc2N1)c1ccc(Br)cc1 34630495 ZLDWZKGIJDMEKL-ZETCQYMHSA-N 420.741 3.985 0 1 HHAF CCN1CCN(c2cc3[nH]c(C(=O)C4(C)CCC(=O)CC4)nc3cc2Cl)CC1 40875747 SYPUQPMFIUFKOF-UHFFFAOYSA-N 402.926 3.690 0 1 HHAF CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCOCC2)c(Cl)c1 43022210 WRKUFOTZTJPIFE-UHFFFAOYSA-N 401.956 3.599 0 1 HHAF CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4cc5ccccc5o4)n3)[nH]c12 71331758 SVEWYPKFWQTITP-UHFFFAOYSA-N 413.481 3.592 0 1 HHAF O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12 84635818 KJAMUHYOZCKXHQ-UHFFFAOYSA-N 421.432 3.536 0 1 HHAF Cc1c(N2CCCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565681 QLWVERUZEBCGBC-UHFFFAOYSA-N 415.896 3.763 0 1 HHAF O=C(Nc1ccccc1CCO)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 95578413 KNAOHDOGXQAJHN-JOCHJYFZSA-N 407.489 3.910 0 1 HHAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](c1nc(-c2ccccc2)c[nH]1)C(C)C 95580641 PDVXMTJMSOJRFG-UNMCSNQZSA-N 406.530 3.782 0 1 HHAF Cc1nc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C(=O)O)c(C(=O)O)c1O 103242021 BJJOKXWELPHPFL-UHFFFAOYSA-N 408.366 3.537 0 1 HHAF O=C(O)Cn1ccc2cc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)ccc21 114332544 QBXDKOPEYCIHQK-FQEVSTJZSA-N 403.486 3.679 0 1 HHAF O=C(c1ccc(F)cc1)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 203788307 SBGDHJQZWJCENG-FYYLOGMGSA-N 405.473 3.895 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@@H](O)[C@@H](C)[C@@H](C)C2 238757305 FQZMTUCBAKMGJM-FHGNATFXSA-N 404.459 3.661 0 1 HHAF O=C(O)CCc1ccc(Nc2ncc(Br)c(NC[C@H]3CCCO3)n2)cc1 299852563 USOKMQLMVUCCHV-CQSZACIVSA-N 421.295 3.591 0 1 HHAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 299882490 PVCDJTCVRRXCAW-XJUOHMSHSA-N 419.525 3.687 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2ccc(O)cc2[nH]1)c1ccc2c(c1)OCCO2 586949964 JQICNBQUHAJCFX-UHFFFAOYSA-N 423.450 3.508 0 1 HHAF CCCOc1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2cc1Br 587249062 FQQJGRVEVLNIAL-UHFFFAOYSA-N 404.264 3.991 0 1 HHAF CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531136 IPETTZGWLPNIOV-CTNGQTDRSA-N 410.495 3.561 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 587827669 LZLGXBCNAISXBX-JEOXALJRSA-N 406.251 3.675 0 1 HHAF COc1ccc(/C=C\Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c1 587930232 RGCBCHPVXVCVIZ-PLNGDYQASA-N 404.470 3.592 0 1 HHAF CCOC(=O)C(C)(C)C[C@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901587 QXJBBRBWGDSSTM-WMZHIEFXSA-N 417.452 3.787 0 1 HHAF COc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc(OC)c1O[C@@H](C)C(=O)O 963094229 LKNVOXRIULLUDC-KPFBPEDLSA-N 415.461 3.805 0 1 HHAF CC(=CCO)CC[C@]1(C)[C@H](CO)[C@H](OC(=O)CCC(=O)O)C[C@@]2(C)C(C)=CCC[C@H]12 2356596557 KFWNRUNSSBZDEP-JLSQMDRSSA-N 422.562 3.863 0 1 HHAF Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)N(C)C1CCCCC1)S2 3273053 XECJIESDJYAMQM-IAGOWNOFSA-N 405.955 3.790 0 3 HHAF COc1ccc(C(=O)N2CCC[C@H](c3cc(C(=O)NCc4ccccc4)no3)C2)cc1 61908093 WZTCTTAGRDBZRQ-IBGZPJMESA-N 419.481 3.633 0 3 HHAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3COC(=O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@@H]12 14781193 BSWUIXDTVUMMOD-PBSDQKDISA-N 414.498 3.781 0 1 HHAF biogenic C[C@H](NS(=O)(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27563360 RMPCWIMVDRBODV-INIZCTEOSA-N 402.516 3.556 0 1 HHAF O=C(O)CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[C@@H]2CCCCC[C@H]21 38152828 HNROBLLXPPBPNO-PKOBYXMFSA-N 418.490 3.947 0 1 HHAF CCCCNC(=O)c1cccc(NC(=O)CCCCCCNc2cc(N)ncn2)c1 40936095 QZGYUGUJRPAOKU-UHFFFAOYSA-N 412.538 3.590 0 1 HHAF CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@H]1c1cc(OC)cc(OC)c1 103205737 MCXASUKAIPSVDU-QHCPKHFHSA-N 423.513 3.628 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@H]1CC[C@@H](C2)N1 116585702 VMNCYKLGFBECRY-YVEFUNNKSA-N 418.465 3.962 0 1 HHAF O=C(O)CCC[C@@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 169684726 JMWCVJVFWQMHJX-GGAORHGYSA-N 412.507 3.997 0 1 HHAF O=C(O)c1cc(CC2=C[C@@H](C(=O)O)C(=O)[C@@H](c3ccco3)C2)cc(-c2ccco2)c1O 169719940 JJFDMLSCPMXOIY-NVXWUHKLSA-N 422.389 3.870 0 1 HHAF O=C1O[C@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCC1 209405933 BBVZXUZRZMOYHO-HSZRJFAPSA-N 405.542 3.767 0 1 HHAF OCCc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966116 GDAJMWKHHCOXIY-UHFFFAOYSA-N 405.527 3.907 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587075325 HQZSFAJLLDAOKN-KRWDZBQOSA-N 418.950 3.804 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(N)ncnc2[nH]1 587086304 FDKBQYPLRAIVIS-VOTSOKGWSA-N 400.273 3.966 0 1 HHAF CS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559635 YGFACQCLGFNGSM-WIYYLYMNSA-N 414.410 3.638 0 1 HHAF O=C(O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c2c1 587592320 GOINUDKBMSAGBR-UTKZUKDTSA-N 402.362 3.670 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587773406 YRFJSYVNFPIPCD-YBTHPKLGSA-N 417.278 3.784 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cc(F)cnc1Cl 963132458 BJFRQJRDHLFSQV-VXGBXAGGSA-N 413.858 3.666 0 1 HHAF CN1CCc2c(Br)cccc2[C@@]1(C)COc1ncn(-c2ccccc2)n1 963289900 RHMWPWGWBURQCN-HXUWFJFHSA-N 413.319 3.812 0 1 HHAF COc1cccc([C@]2(c3cc(C)ccc3C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963466725 DYLQCKABZPIKGP-NBGIEHNGSA-N 418.493 3.612 0 1 HHAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@]4(c2cccnc2)C2CNC2)cc1 963833590 XPMHDKUFKUYDGZ-AREMUKBSSA-N 410.521 3.751 0 1 HHAF COC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](O)C2)cc1 1772633770 ZDVPOFWZSWKBAW-HJPURHCSSA-N 410.514 3.942 0 1 HHAF Cc1ccc2oc(=O)cc(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)c2c1 1857565469 MDYQVTLVBJWOIX-UHFFFAOYSA-N 403.467 3.910 0 1 HHAF Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O 920455 UUQGXMVRLGPUKQ-UHFFFAOYSA-N 404.514 3.638 0 3 HHAF CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@@H](C)C3)c(C)c2)[C@H](C)C1 199271878 FBLNQPUDGFPTBG-FCHUYYIVSA-N 420.601 3.763 0 3 HHAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC 776834 QUAZUOCVOSAMNL-OAHLLOKOSA-N 414.433 3.666 0 1 HHAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4296092 QNAXABNTRAQMPU-FKPGQJDZSA-N 416.880 3.991 0 1 HHAF O=C(Nc1c(F)cccc1F)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 4880159 DXWYGYMHUWSUCJ-MRXNPFEDSA-N 408.451 3.685 0 1 HHAF C[C@@H]1Oc2c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)cccc2N(C)C1=O 13674855 YEOWMZRSKXXMFL-SFHVURJKSA-N 418.541 3.666 0 1 HHAF COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 13803866 YJVKTUWPHJFRGN-UHFFFAOYSA-N 413.949 3.840 0 1 HHAF CCO[C@H](Cc1ccc(OCCN2c3ccccc3O[C@H]3C=CC=C[C@H]32)cc1)C(=O)O 26575771 ACYMEKQXUVUFGC-JCTONOIOSA-N 421.493 3.860 0 1 HHAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCCc1cccs1)CC2 28110858 LKEVZCADBHUOPM-UHFFFAOYSA-N 416.587 3.647 0 1 HHAF CNC(=O)Nc1c(OCCN2CCCCCCC2)c(OC)c2occc2c1OC 29408016 LLLSULFNTQYVIA-UHFFFAOYSA-N 405.495 3.846 0 1 HHAF Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1 40935979 PFMIIPCSDKWDOE-UHFFFAOYSA-N 419.359 3.791 0 1 HHAF O=C(O)c1cn(Cc2ccc(-n3nnc4ccccc43)cc2)c2cccc(F)c2c1=O 45368697 UNFOCNBDXUKOMK-UHFFFAOYSA-N 414.396 3.621 0 1 HHAF COc1ccc(CCN2CC[C@H](CNC(=O)c3cccc(Cl)c3)C2)cc1OC 71330934 APDQZZKRQKPQDG-QGZVFWFLSA-N 402.922 3.652 0 1 HHAF O=C(OCCc1ccccn1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069572 VFURIMUGWJJCSU-SFHVURJKSA-N 421.522 3.843 0 1 HHAF CS(=O)(=O)c1ccc(-c2cnc(Br)n2-c2ccc(F)c(F)c2)cc1 95577840 JHSWZWHUGVUXNZ-UHFFFAOYSA-N 413.243 3.984 0 1 HHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@]12C 95680530 VXJUXGFZTAASGS-NDSOISQZSA-N 403.607 3.906 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C)C1 95864621 LSSVJSWFNBODOJ-HXUWFJFHSA-N 411.933 3.562 0 1 HHAF O=C1CN(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 95866300 RXASKZNMLSGTDG-RMTZWNOUSA-N 416.496 3.664 0 1 HHAF O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)N1CCCc2ccccc21 100617821 LOAMVMPGBISRMF-UHFFFAOYSA-N 417.494 3.544 0 1 HHAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC(C)(C)C(=O)O)C(=O)O 140462102 YCZFGFJXTINBHZ-UZLBHIALSA-N 411.498 3.993 0 1 HHAF CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@H](c4ccccc4)CC3=O)c2)C(=N)N1 148377177 VBYHYTJHKFQNCE-NLFFAJNJSA-N 418.541 3.878 0 1 HHAF CCc1nn(Cc2ccc([S@@](=O)Cc3ccccc3)cc2)c(CC)c1CC(=O)O 168959835 QSQTULRLFJHUCH-GDLZYMKVSA-N 410.539 3.991 0 1 HHAF CCNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709655 ZRNKPYQSZUJIKA-HTAPYJJXSA-N 424.545 3.908 0 1 HHAF CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212159730 FEIRDIIDDZYFFT-UHFFFAOYSA-N 400.479 3.562 0 1 HHAF C/C1=C/C(=O)O[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@](O)([C@@H]1CSC(=O)N1)C2 224623368 DDVBPZROPPMBLW-DWSGYVJWSA-N 421.559 3.860 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1Cc1c2n[nH]c1C(=O)NC[C@@H]1CCCO1 253640083 VCYHUCFEOYVTLC-DZQBUXDYSA-N 421.541 3.594 0 1 HHAF CC1(C)Oc2nc(O)nc(N)c2N=C1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 299846753 REGVHURFZHHLFE-JOCQHMNTSA-N 410.474 3.805 0 1 HHAF CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586946758 OVTZZDQNTFECEK-UHFFFAOYSA-N 417.840 3.928 0 1 HHAF OCc1ccc(F)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587139946 AZOJPJYIOYSFST-UHFFFAOYSA-N 401.033 3.781 0 1 HHAF COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423510 URANCCWCFLAZHQ-VLIAUNLRSA-N 424.840 3.810 0 1 HHAF COc1cc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC 587521253 BSJKOYZYDYIWMM-HSZRJFAPSA-N 412.438 3.537 0 1 HHAF CC(=O)OC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571351 NFAHWQHGGXKOEG-NFBKMPQASA-N 408.381 3.952 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(Cl)c1F 587572459 VEWFSKMQNYNXOY-QVKFZJNVSA-N 411.772 3.994 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1O 587595053 OEYRBXFTFFRJJA-ZJSXRUAMSA-N 419.433 3.637 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(=O)(=O)c2ccccc2)N1 587847723 HDNXXTADFROWSO-XIKOKIGWSA-N 412.324 3.812 0 1 HHAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCCc1ccc(C(F)(F)F)cc1)C2 1857592499 UAJVTCVZRHYCPX-KRWDZBQOSA-N 422.495 3.703 0 1 HHAF O=c1nc2ccccc2c(NS(=O)(=O)c2ccc(Cl)cc2)n1-c1ccccc1 103736293 OFBKZCRCTURSPJ-UHFFFAOYSA-N 411.870 3.840 0 3 HHAF O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2cccc(F)c2F)cc1 201472569 JPGOZLHJISBNGH-INIZCTEOSA-N 424.403 3.787 0 3 HHAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 777203 PAXXFSGTLLZQJP-CJNGLKHVSA-N 404.507 3.793 0 1 HHAF CC(C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C[C@H](C)CCCCCCO 2356431036 ZQYJKIOOBBBACO-UTKZUKDTSA-N 403.519 3.586 0 1 HHAF COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)[C@]3(C)I)ccc1O 101464818 KMCWFSRJAGUCQK-IPALMDDQSA-N 416.255 3.940 0 1 HHAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cc(=O)n(Cc3ccccc3)c3ccccc13)C2 100643160 YRPLZRPGTWXNJH-OALUTQOASA-N 402.494 3.832 0 1 HHAF CCCOc1ccc(Br)cc1[C@H]1/C(=C(\O)OCC)C(C)=Nc2nnnn21 103529726 JGHLFDQDVJULGC-IDTYTIONSA-N 422.283 3.726 0 1 HHAF C[C@@H](CN(C)c1nc2ccccc2o1)Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 27314691 BWMOTGSJGDXHLN-UGSOOPFHSA-N 411.483 3.626 0 1 HHAF c1cc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)s2)ccc1C1=NCCN1 33913599 KPAUDMFCLSTUBG-UHFFFAOYSA-N 412.522 3.658 0 1 HHAF in-vitro O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 43193890 MZGKAPNKYSMPAV-UHFFFAOYSA-N 411.355 3.961 0 1 HHAF Cc1cccc(-c2nc(-c3ccc(C(N)=O)cc3)cn2-c2ccc3c(c2)OCCO3)n1 43019907 KZGNXQHWFYBBCK-UHFFFAOYSA-N 412.449 3.780 0 1 HHAF Cc1cccc2cc([C@H](C)Nc3nc(N)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 88345723 ICRLCUMPFBTBRW-AWEZNQCLSA-N 411.469 3.721 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 95584369 FYEUWJWPCZJKLN-JXFKEZNVSA-N 424.541 3.975 0 1 HHAF CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)Cc3c(cc4occc4c3C)[C@@]12C 238736802 PNIWOPXSKRPGQY-HIGZBPRKSA-N 414.498 3.970 0 1 HHAF CCNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574269 WOGYJUGWKNJSQW-URXFXBBRSA-N 419.433 3.610 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1O 587595051 OEYRBXFTFFRJJA-XUZZJYLKSA-N 419.433 3.637 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2[nH]1 587077523 VQXXROBSLITNJH-INIZCTEOSA-N 420.860 3.893 0 1 HHAF C=CN1CC[C@H]([C@@]2(CSC)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587847665 VAFYCHDOKNULRU-RRUGBERISA-N 413.356 3.673 0 1 HHAF N=C(N)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586959303 JKKQSYNZPKXAEN-XMCHAPAWSA-N 423.542 3.541 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(COc3ccccc3OCC)[nH]c2c1 587781190 RTMGFTADQGQTRM-UHFFFAOYSA-N 403.504 3.619 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587702799 WQRSFNCHBRLBGW-LZVRBXCZSA-N 409.686 3.996 0 1 HHAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccc(C(=O)O)cc3)CC1)CC2=O 587479834 VHDMHGQEPIWKBZ-UHFFFAOYSA-N 423.465 3.683 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc3c(c1)OCO3)CC2=O 587494252 XUWIYYXODOSGKE-QHCPKHFHSA-N 412.438 3.887 0 1 HHAF Cc1ccc(-c2csc3ncnc(SCc4nc5c[nH]c(=N)[nH]c-5n4)c23)cc1 587037745 IIXXTYMMCFXNTH-UHFFFAOYSA-N 405.512 3.989 0 1 HHAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccccc1Br)[C@@H](C2)C3=O 587414950 ZHNWFTUSATVFGI-VBKZILBWSA-N 417.255 3.965 0 1 HHAF O=C(O)c1cccc2c1CCN[C@@]2(CSc1nncs1)c1ccc(F)cc1 963130106 IFIRJGATFJLZLN-IBGZPJMESA-N 401.488 3.557 0 1 HHAF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)c3cc(N)ccc31)N(C)[C@H](C)C2 962628351 HFSMNKDJULNQFJ-PVPMGCCUSA-N 414.505 3.999 0 1 HHAF COc1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)F)c4)n3)cnn2n1 13582621 IXSZNCPQZGGHKB-UHFFFAOYSA-N 402.336 3.837 0 1 HHAF Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)N1CCCCC1 14598298 BCVVZQTVNPNDRX-QUCCMNQESA-N 404.576 3.964 0 1 HHAF COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 169690124 OSMQIWXVTKJSHL-SFTDATJTSA-N 403.434 3.748 0 1 HHAF CCCOc1cnc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 169709165 PXKFAJGTXBMIAF-KXBFYZLASA-N 401.482 3.864 0 1 HHAF COC(=O)Cc1ccc(OCc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 207605784 GWPQVXLJIGYJIR-UHFFFAOYSA-N 402.450 3.828 0 1 HHAF C=CC(=O)Nc1cc2c(N3CCc4ccccc43)ncnc2cc1O[C@@H]1CCOC1 1857631003 HYHMBLXZKHWQPL-MRXNPFEDSA-N 402.454 3.616 0 1 HHAF C[C@@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2c(C3CNC3)cccc12)C1CC1 1857768727 WXRIJNMMLMGSAK-GFCCVEGCSA-N 411.912 3.907 0 1 HHAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ncc1Cl 3965452 LHDMWLQERSCKIB-UHFFFAOYSA-N 403.954 3.812 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCN(CC)CC 4152494 CQWLJDNIMHYDMQ-CTNGQTDRSA-N 415.559 3.697 0 1 HHAF CCCn1c(=O)c2c(nc3cc(-c4ccccc4)ccn32)n(Cc2ccccc2)c1=O 13475101 PRAIDRDLWXIJJH-UHFFFAOYSA-N 410.477 3.936 0 1 HHAF CCCc1c(COc2ccc(C(=O)[C@@H](C)Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O 13824161 LCIIDFZBPXUSFM-AWEZNQCLSA-N 422.485 3.701 0 1 HHAF Fc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1F 15779245 USGSDMJWBGWSQP-UHFFFAOYSA-N 410.424 3.828 0 1 HHAF COc1ccc(C2=NN(Cc3cccc(C(=O)O)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26507181 ITLJCTJVLVIKBE-MOPGFXCFSA-N 422.481 3.955 0 1 HHAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)O[C@H]3CCOC3)cc21 29477352 WEFKJAOLXZICLW-SFHVURJKSA-N 410.426 3.734 0 1 HHAF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(F)CC3)co2)cc1 40567114 UXWBIXQDKKBBNJ-UHFFFAOYSA-N 421.472 3.775 0 1 HHAF Cc1cc(C)nc(NC(=S)NC(=O)[C@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 40864235 NQAVCWZRMPCFGK-JAPXBJLTSA-N 406.861 3.864 0 1 HHAF Cc1c2c(n3c1CCCNC(C)(C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71318539 DGACETPAWZTFGK-UHFFFAOYSA-N 422.573 3.766 0 1 HHAF CC[C@H](CO)Nc1nc(NC(c2ccccc2)c2ccccc2)c2ncn(C)c2n1 95563432 RREBYOHOPJKCPN-GOSISDBHSA-N 402.502 3.748 0 1 HHAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC2CC2)C3)cc1 95794597 WIRPZPJPWJZWAM-VSAQJFMZSA-N 422.491 3.813 0 1 HHAF O=C(COc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1ccc(F)cc1 100624457 HCULVCZZLOBHCK-KLNNNFBISA-N 417.436 3.645 0 1 HHAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3ncccc23)CC1 101472720 JITGRUBMKPRQCN-CESBHHQCSA-N 417.509 3.763 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@H](C)[C@@H]2O 140302059 SEZFWESQHLGCPD-FHGNATFXSA-N 402.443 3.675 0 1 HHAF NC(=O)c1cc(-c2ccccc2F)sc1Nc1cccc(CN2CCOCC2)n1 141054990 VWZIWKHACUENGU-UHFFFAOYSA-N 412.490 3.624 0 1 HHAF O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cccnn4)ccn23)c1 147001577 XUMLHCUCEGKYRD-UHFFFAOYSA-N 413.363 3.537 0 1 HHAF N#Cc1nc(N2CCOCC2)nc(N(Cc2ccc(Cl)cc2)C2CCCCC2)n1 205243493 AEEJSXSGYQCOBF-UHFFFAOYSA-N 412.925 3.573 0 1 HHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cn(-c2ccc(F)cc2)cn1 217401451 QPJBWMOBPCRKLJ-GDZNZVCISA-N 414.416 3.658 0 1 HHAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1[C@H]1[C@@H](O)OC(C)(C)[C@H]1OC(C)=O 238771649 LQFYRSWYFPDEHM-PUHATCMVSA-N 424.449 3.611 0 1 HHAF Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCO3)cc1 299840658 YGFVMPRTUQKSCQ-AWEZNQCLSA-N 412.389 3.778 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1)N1CCC1 586956167 XUNUTRRTLZVQSV-UHFFFAOYSA-N 401.797 3.695 0 1 HHAF CCOc1cc(/C=C/c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(Br)c1OC 586978207 NNZOFYOPKUGRMB-SNAWJCMRSA-N 424.686 3.711 0 1 HHAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3csc(O)n3)[nH]c2c1 587018517 FRLKKXRDOUZTKN-UHFFFAOYSA-N 406.876 3.846 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2c1 587035994 YGRURUBQJJQEDO-UHFFFAOYSA-N 416.528 3.879 0 1 HHAF O=c1cccc(-c2nc3cc(CCO)ccc3[nH]2)n1CCOc1ccccc1Cl 587064160 NMDRFCVQMCIWCA-UHFFFAOYSA-N 409.873 3.659 0 1 HHAF CS(=O)(=O)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258676 QOCKELYPRZOYIC-SFHVURJKSA-N 422.510 3.538 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccc(C(F)(F)F)c3)nn1)O2 587383265 VLKDDUPJCXEDTG-GOSISDBHSA-N 402.376 3.942 0 1 HHAF CCc1c(C)[nH]c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](CN1CCOCC1)CC2 587398472 HSDBLYMRRNWVGZ-CRICUBBOSA-N 423.557 3.531 0 1 HHAF CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535215 JMSPOCDRAJNTQD-XMMPIXPASA-N 408.450 3.760 0 1 HHAF CCNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574271 WOGYJUGWKNJSQW-XUZZJYLKSA-N 419.433 3.610 0 1 HHAF COC(=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 587587183 LKXUPDBLZLMCNB-LAUBAEHRSA-N 416.389 3.529 0 1 HHAF Cc1nn(C[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br 587650966 JFILYNNYFDOXDK-VIFPVBQESA-N 423.698 3.602 0 1 HHAF CCn1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587764439 PXFHLRKPHWRZAP-REVSUANVSA-N 407.331 3.658 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCOCC3)o2)N1 587773698 KQBPLMBCJWYBLQ-BLVKFPJESA-N 409.299 3.637 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2c[nH]nc2N)N1 587850657 DVPPKWGBSFVAIF-HUTHGQBESA-N 407.312 3.781 0 1 HHAF COc1ccc(NC(=O)C(C)(C)n2cc(NC(=O)Cc3ccc(F)cc3)cn2)cc1 618008099 ZPDNPQMWGLBAAT-UHFFFAOYSA-N 410.449 3.586 0 1 HHAF Nc1ccccc1-c1nc([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)co1 962625220 BVTGWUNPEYFFBT-GUYCJALGSA-N 419.359 3.511 0 1 HHAF C[C@]1(COC(=O)c2ccccc2N)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693767 DDDQWPVDGMMJCK-QRQCRPRQSA-N 400.519 3.844 0 1 HHAF O=C(O)c1cccc2c1CCN[C@@]2(C(=O)O)c1c(-c2ccccc2)cc2ccccn12 963136059 XNAZQIJPEJCAHV-RUZDIDTESA-N 412.445 3.778 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(c1sccc1N)N(C(=O)c1ccccc1N)CC2 963142661 QXCHLWLHDCRWMN-QHCPKHFHSA-N 423.538 3.892 0 1 HHAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 1772584499 QOVUJXDGZUQNAV-QHCPKHFHSA-N 403.478 3.815 0 1 HHAF COc1ccc2oc(=O)cc(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)c2c1 1857546312 RWJFLWHFCWCZQT-UHFFFAOYSA-N 419.466 3.610 0 1 HHAF CCC(=O)Nc1ccccc1Oc1nc(Nc2cnn(CCOC)c2)ncc1Cl 1857638022 AOJQJPYPIMFMRM-UHFFFAOYSA-N 416.869 3.857 0 1 HHAF FC(F)(F)COc1ccccc1CCn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857765723 YYJSZDMWQQRLIO-UHFFFAOYSA-N 414.391 3.914 0 1 HHAF CN[C@@]1(C)CC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)Cl)O2)[C@H]2[C@H](O)[C@](C)(NC)CC[C@H]21 2356876583 ZMBBXNFPUQYSFZ-PJXIPQADSA-N 401.035 3.695 0 1 HHAF CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 13596261 SQWITMCFJXIWJZ-IBGZPJMESA-N 424.566 3.980 0 3 HHAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCCN2C(=O)c2ccccn2)on1 61898916 GDLNAXGAZKZBKI-IBGZPJMESA-N 408.433 3.506 0 3 HHAF Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc12 2459696 MLPKPUGDQFYFEW-AWEZNQCLSA-N 404.532 3.834 0 1 HHAF CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)cc1 4056090 MUTRDVINOMMGIJ-TZIWHRDSSA-N 414.889 3.689 0 1 HHAF C[C@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CCN1CCc2ccccc21 4215697 WXNDMZMDDSIIQX-QGZVFWFLSA-N 413.587 3.833 0 3 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCC(C)(C)CO 4310435 CZADVFJUACIYNC-RTWAWAEBSA-N 420.550 3.852 0 1 HHAF Cc1cccc(N2CCN(C(=O)COc3nsc4nc(C)cc(C)c34)C[C@@H]2C)c1 59151280 XBCCLCLUAMDFPJ-KRWDZBQOSA-N 410.543 3.733 0 1 HHAF CCCC[C@](C)(OC)[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 29544856 GGDWDKDPRJFMHD-AMMFNGIISA-N 412.567 3.579 0 1 HHAF COc1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1OC 61925868 JRMLZKDOKSXCPZ-XMMPIXPASA-N 404.466 3.776 0 3 HHAF CC(=O)Nc1cc(-c2cccc(NS(C)(=O)=O)c2)cn2c(-c3ccccc3)cnc12 61908658 LETMYBUMRDQTJK-UHFFFAOYSA-N 420.494 3.998 0 3 HHAF O=c1c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc2n1C1CC1 71318837 BJYSBGCEJCKTCI-UHFFFAOYSA-N 414.412 3.788 0 1 HHAF COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@H](O2)c2c(cc(C)oc2=O)O3)cc1 36379189 GTDDZWFPUABHTD-UPVQGACJSA-N 422.433 3.882 0 1 HHAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(OC(C)C)n2)n1 223442685 UDDGXDJYDOOUKT-HOTGVXAUSA-N 403.490 3.619 0 1 HHAF CC(C)(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 199021975 PILNZBSRVUVHKV-UHFFFAOYSA-N 402.926 3.869 0 1 HHAF CC[C@@H](C)n1c2cnccc2c2cnc(Nc3ccc(N4CC[C@@H](O)C4)cn3)nc21 140543739 VBKQQDIWFTTXHE-GDBMZVCRSA-N 403.490 3.660 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OC/C=C/c1ccccc1)[C@H](OC(=O)c1ccccc1)C2 253641799 UASJKQINROBGIC-PMIWZVBBSA-N 405.494 3.951 0 1 HHAF CNCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 299819802 FVKHQKBDSRMLSV-UHFFFAOYSA-N 409.433 3.681 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)NCc3ccco3)cc1)O2 587387679 RSWKSOAKKBHVFK-NRFANRHFSA-N 406.438 3.572 0 1 HHAF COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587577149 JFEFSZTZKKYSOU-NFBKMPQASA-N 407.422 3.869 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)([C@H](N=O)C(=O)Nc1ccccc1OC)CC2=O 587467644 BKTZMZSGMZYJIY-IRLDBZIGSA-N 412.442 3.851 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2c1 587087202 BWKRRFJOFXWHFW-VIFPVBQESA-N 400.223 3.862 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587856893 JKEDGXOQOLRUFX-QAGHZCBJSA-N 402.329 3.634 0 1 HHAF COc1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Br 586977343 LVGKHGOSZHNXCM-XVNBXDOJSA-N 409.261 3.751 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnn(C)c2)(C(F)(F)F)N1 587707051 SHLMHSJGNOLUCH-VFZGTOFNSA-N 406.221 3.856 0 1 HHAF COc1cc2c3c(c1)O[C@](CSc1nccn1C)(c1ccc(O)cc1)[C@@H](C2)C3=O 587451455 YDLQDDDWHSANJU-HTAPYJJXSA-N 408.479 3.570 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)s2)N1 587849289 SBCOSDVKYPIFCG-ZMZPIMSZSA-N 410.356 3.683 0 1 HHAF COc1cc2c3c(c1)O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O 587430538 VHWUSVVXRLAFPT-NRJQMVOHSA-N 424.497 3.590 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)N4CCC[C@@H]4C)CC3)c2)c1 1772595676 MLDNJWBAASRVGP-IBGZPJMESA-N 420.557 3.865 0 1 HHAF COc1ccccc1C1=N[C@@](C)(CC(=O)NCc2cccc(C(F)(F)F)c2)ON1C 206018982 MESSIXQHLPPYLZ-HXUWFJFHSA-N 421.419 3.760 0 3 HHAF COc1ccc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1 164754096 OAFOSPBRAFRLDD-UHFFFAOYSA-N 400.438 3.519 0 1 HHAF CN(C)CCCc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(=N)[nH]3)c2)s1 1857566176 HUPYHGCOEWLTCF-UHFFFAOYSA-N 405.911 3.611 0 1 HHAF CCn1cnc2c(-c3ccc(F)c(-c4cc5c(cc4OC)C(=O)N(C)C5)c3)cnnc21 1857596695 XPSAGIQSESMIJK-UHFFFAOYSA-N 417.444 3.914 0 1 HHAF COc1ccc(-c2sc(Br)c3c2C(=O)[C@@H]2OC(=O)N[C@@H]32)cc1OC 1662876 AQUCZYWTBQPSOA-WCQYABFASA-N 410.245 3.541 0 1 HHAF C[C@@H](NC(=O)c1cccc(-c2ccc(S(=O)(=O)CC(=O)O)cc2)c1)c1ccccc1 3600327 PIOOGZRVKAYOEW-MRXNPFEDSA-N 423.490 3.703 0 1 HHAF Cc1c(C(=O)N(C)Cc2ccon2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 12037363 ZDTQFRAQSIPLDU-QLFBSQMISA-N 409.515 3.884 0 1 HHAF CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN(C)c3ccccc3)C2)cc1 20463492 UZRWESWYPMWQEZ-SFTDATJTSA-N 423.557 3.832 0 1 HHAF biogenic CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1cccc(CC(=O)O)c1 27873392 CQTJEFXDJIDSSP-NRFANRHFSA-N 410.470 3.577 0 1 HHAF Cc1ccn(-c2ccc(C(=O)N3C[C@@H]4C=CC(=O)N4Cc4ccccc43)c(Cl)c2)n1 28824046 YKPFCEJADVPWEA-SFHVURJKSA-N 418.884 3.762 0 1 HHAF COc1ccc(CCN2c3cc(OC)ccc3OS(=O)(=O)c3cccnc32)cc1 40918342 XYZBMWQCDCIIMD-UHFFFAOYSA-N 412.467 3.561 0 1 HHAF CN1C(=O)c2cccc(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2C1=O 49049190 PLCMBEBJCVWYCS-UHFFFAOYSA-N 411.870 3.871 0 1 HHAF Nc1nc2cnc(N3CCC(Oc4cc(F)ccc4Br)CC3)nc2s1 72126078 WIJFXDQOPDGGOQ-UHFFFAOYSA-N 424.299 3.618 0 1 HHAF N[C@@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12 73331425 KAKGFGCTONHQJW-QGZVFWFLSA-N 400.438 3.613 0 1 HHAF COc1cc2nc(N3CCC(O)CC3)nc(NCC3CCCCC3)c2cc1OC 82119666 GYFHTSQVDLUVQL-UHFFFAOYSA-N 400.523 3.600 0 1 HHAF CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 84634889 GPFBOILGPPNQAT-VXKWHMMOSA-N 406.530 3.722 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc([18F])cc2)CC1 102416797 ZIAICQQANCNQNU-XBGPNWIMSA-N 410.524 3.566 0 1 HHAF Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1Cl 104079842 VMWXBVBHEOZLMR-OAHLLOKOSA-N 405.841 3.584 0 1 HHAF O=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)cn1 143166905 BLUALGHEWJXSQI-UHFFFAOYSA-N 404.357 3.907 0 1 HHAF CC(C)CC(=O)N1CC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166897932 BIZKTPKQPKRZMM-OAQYLSRUSA-N 408.502 3.655 0 1 HHAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@]1(O)c1ccccc1)CC2 195167910 IGMRUXJGIQSJAC-PLXFJCCSSA-N 422.544 3.952 0 1 HHAF O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1F 216260292 KRYUSOZLPYCSEV-SNPRPXQTSA-N 407.507 3.740 0 1 HHAF CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C 238734508 SFOHMBBFSBTGGN-FVMKRELQSA-N 408.535 3.998 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(F)nc1 261107357 HOYFXVXEWKILHM-KRWDZBQOSA-N 409.417 3.546 0 1 HHAF C[C@@]12CC3(O)CC(NC(=O)CCn4sc5cccc(F)c5c4=O)(C1)C[C@](C)(C3)C2 299835109 KLORHPCJGQECSK-FDRBHKFBSA-N 418.534 3.572 0 1 HHAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc2cc(C(=O)O)nn12 586989816 RAGXFQCYVCCQDS-UHFFFAOYSA-N 422.400 3.868 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 587123441 IJLHAEBJIUKHTN-PXAZEXFGSA-N 420.439 3.566 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 587183030 ULWJCJRQQAGLEE-SSDOTTSWSA-N 421.164 3.696 0 1 HHAF Fc1cc2[nH]c(-c3nccnc3I)nc2cc1Br 587186294 GWLRTCDRSZZIII-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cnc(SC)nc1Nc1ccccc1)[C@@H](C2)C3=O 587448984 AAZAHBFZHIMRHO-MGPUTAFESA-N 405.479 4.439 0 1 HHAF COCCN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587571453 KZGBVDGJIKXTSX-OFNKIYASSA-N 406.438 3.573 0 1 HHAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1OC 587577803 LWSKPRKCCORURG-MBSDFSHPSA-N 407.422 3.869 0 1 HHAF COC(=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 587587182 LKXUPDBLZLMCNB-DYESRHJHSA-N 416.389 3.529 0 1 HHAF CCCCN(CCCC)c1ccc(-c2nn(C(=O)CO)c(=O)c3ccccc23)c(O)c1 587661389 OTMZZYABQALLPT-UHFFFAOYSA-N 423.513 3.808 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnn2)N1 587759658 LTCHBGRNFRGOKM-CWTRNNRKSA-N 401.283 3.967 0 1 HHAF Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1 653708666 KTBUGJRJKSSXAY-UHFFFAOYSA-N 415.236 3.780 0 1 HHAF FC(F)(F)C(F)(F)CNC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772642389 OKNRNFDKCVZCQF-XYPYZODXSA-N 402.371 3.667 0 1 HHAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(F)c1 1857554217 WHYVSXZNBHWYDP-NRFANRHFSA-N 409.461 3.687 0 1 HHAF C[C@@H](NC(=O)c1nc(-c2cccc(C(F)(F)F)n2)nc(O)c1O)C1CCCCC1 1911583541 MFIFUQYYRMSAMO-SNVBAGLBSA-N 410.396 3.667 0 1 HHAF CC(=O)[C@@H]1C[C@@]23C(=O)[C@@](C)(C[C@@H]2C1(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C)C)C3=O 2356679641 YWCYHQDJGKSIEV-KRRFSPRZSA-N 414.542 3.923 0 1 HHAF CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1cccs1 61930264 XDBNFTWALJKQFJ-UHFFFAOYSA-N 422.558 3.611 0 3 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 6507543 PUDOZZTYLABBEU-INMHGKMJSA-N 415.559 3.727 0 1 HHAF CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)Nc2ccccc2)c1=O 6615082 VJGOMKNAEFNUQK-SJORKVTESA-N 422.529 3.874 0 1 HHAF biogenic O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1nsc2ccccc12 12356306 DQVSZMGSVSMZTD-UHFFFAOYSA-N 411.502 3.760 0 1 HHAF CCCOc1nc2c(NCc3ccccc3)nc(N[C@H](CC)CO)nc2n1C(C)C 13538307 BYEDYARNUIAGPN-QGZVFWFLSA-N 412.538 3.991 0 1 HHAF CCN1CCN(c2c(-c3ccncc3)c(-c3ccc(F)cc3)c(C(=O)OC)n2C)CC1 28604264 WUFVOZSSATZWGI-UHFFFAOYSA-N 422.504 3.822 0 1 HHAF CC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nn1 28655337 FSEPYFXYASODRH-UHFFFAOYSA-N 402.926 3.954 0 1 HHAF O=C1NC(=O)[C@H](S(=O)(=O)c2ccc3cc(OCc4ccccc4)ccc3c2)S1 29214090 YJDORPMUYHJEBA-IBGZPJMESA-N 413.476 3.502 0 1 HHAF COc1ccccc1CSc1nc(N[C@@H](CO)CC(C)C)c2sc(N)nc2n1 38468173 YIKGYASPCLWXCD-CYBMUJFWSA-N 419.576 3.788 0 1 HHAF COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(C)cc3)n2)c1 49088298 ZOLVWMHDSPUVRY-UHFFFAOYSA-N 410.426 3.882 0 1 HHAF CC(C)[C@@H]1Cn2c(nc(=O)c3nc(-c4ccc(F)cc4)n(Cc4ccccc4)c32)N1 71334663 LTJSZOMSSUPBGO-SFHVURJKSA-N 403.461 3.898 0 1 HHAF NC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1Br 72173448 AVSAXCHLFNUCJD-VMPITWQZSA-N 424.092 3.962 0 1 HHAF COc1ccc(C(=O)CSc2nc(CN3CCCc4ccccc43)cc(=O)[nH]2)cc1 72176374 VUKNKEANYMTUEX-UHFFFAOYSA-N 421.522 3.706 0 1 HHAF C=CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(OC)cc2)OC1 73225011 DJOANPGFWFVCOG-HSZRJFAPSA-N 408.473 3.737 0 1 HHAF O=C(c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1)N1CCOCC1 82159016 ZYUBMTCBPSDMFX-UHFFFAOYSA-N 414.509 3.883 0 1 HHAF O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3 95601553 GNDBSUFPFNRHOV-UHFFFAOYSA-N 422.387 3.956 0 1 HHAF O=C(NC1(C(=O)NCCc2ccccc2)C2CC3CC(C2)CC1C3)c1ccccc1 96916891 LPFOAFJQKGZERV-UHFFFAOYSA-N 402.538 3.970 0 1 HHAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\C=C\CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 103625562 DDVBPZROPPMBLW-NGQFQDAYSA-N 421.559 3.860 0 1 HHAF CCN(CC)C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)C(C)C 142879524 IQTWKGODRCNBRQ-HNNXBMFYSA-N 416.419 3.991 0 1 HHAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc3ccn(C)c3c2)C(=O)O1 169353137 FKPDQMIETMHJBH-NNDWLSIRSA-N 413.514 3.999 0 1 HHAF NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O 169685490 LSINLLSZBVYZJF-BWTSREIZSA-N 408.546 3.776 0 1 HHAF C[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cccc(C(F)(F)F)c2)c1 219149913 SBNAVHCFZFIWDS-GFCCVEGCSA-N 404.388 3.834 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586937052 OXGRJDCWOJENKQ-LBPRGKRZSA-N 415.462 3.753 0 1 HHAF COc1cc(OC)c2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 586939334 UQTIYHBCFRFSLS-QGZVFWFLSA-N 423.922 3.909 0 1 HHAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)c(F)c3[nH]2)cc1 586941819 WYNLMYMXXOAKGS-HJWRWDBZSA-N 424.295 3.863 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016937 QHHVHVHXISUKEW-INIZCTEOSA-N 406.533 3.616 0 1 HHAF COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394937 LQNWPIPFWYYACI-SFHVURJKSA-N 416.437 3.708 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O 587439923 XQWMNUIDEMDSBG-LROSEOONSA-N 417.461 3.810 0 1 HHAF Cc1ccnc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576662 HOYXGXRBXLYPAK-REWPJTCUSA-N 404.422 3.845 0 1 HHAF CCn1cc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580714 JBPYLKIBYKGMMP-COPMYHSASA-N 405.454 3.541 0 1 HHAF COC(=O)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 587769353 FWAGKANVBZPIIC-HWPZZCPQSA-N 418.266 3.646 0 1 HHAF CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794252 GINCMRSFKKXIIV-MJLGCCKJSA-N 412.299 3.640 0 1 HHAF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc2ccccc2nc1N1CCOCC1 653720293 WYIIBWKCYNUYQI-QHCPKHFHSA-N 418.472 3.908 0 1 HHAF O=C(O)/C=C1\NN(Cc2nc3cc(C(F)(F)F)ccc3s2)C(=O)c2ccccc21 957626369 KODQZSCTFAQIRL-JYRVWZFOSA-N 419.384 3.901 0 1 HHAF CCOC(=O)C(C)(C)[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189451 WQVYCZONDFSAOG-PIGZYNQJSA-N 407.816 3.762 0 1 HHAF COc1cccc2c3c([nH]c12)[C@@H](NCCCN=c1ccnc(NCC(C)C)[nH]1)CCC3 1857584834 ACBLBNVWICCWEQ-IBGZPJMESA-N 422.577 3.926 0 1 HHAF CC[C@@H]1[C@H](C[C@H](C)C(=O)OC)O[C@]23CC[C@H]([C@@H]4C[C@@H](C)C(=O)O4)N2CCCC[C@H]13 2356336277 KSRHASDCOAHRSY-NLXWLWEQSA-N 407.551 3.523 0 1 HHAF Cc1nn(C)c(Cl)c1CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 15064764 FDHBSFCOCPZBDB-UHFFFAOYSA-N 416.953 3.661 0 3 HHAF CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1 603176 WHIMEOMPXHBKBV-UHFFFAOYSA-N 419.501 3.621 0 1 HHAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 777202 PAXXFSGTLLZQJP-XJKSGUPXSA-N 404.507 3.793 0 1 HHAF Cc1ccc(N2C(=S)N[C@H]3c4cc(Cl)ccc4O[C@]2(C)[C@@H]3C(=O)N(C)C)cc1 4598590 FMPQCKISLAKUSP-BBTUJRGHSA-N 415.946 3.897 0 1 HHAF COc1ccc(OC)c(N2C(=O)CS[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 6003745 VDNMXRGYASNGOL-HXUWFJFHSA-N 405.472 3.508 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4[C@@H]4C[C@H]34)c2)cc1 13618176 ZHDUETSVHPQFSE-OBHIHTNZSA-N 414.461 3.505 0 1 HHAF CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(=O)n(Cc3ccccc3)c3ccccc13)C2 13731395 YRPLZRPGTWXNJH-YOFSQIOKSA-N 402.494 3.832 0 1 HHAF COc1cccc2c1[C@@H]1CCN(CCCN3C(=O)CC4(CCCC4)CC3=O)C[C@@H]1C2 13733320 MHYIRHUYYCXFSJ-VQTJNVASSA-N 410.558 3.756 0 1 HHAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnn1 13803335 ZDUNROKMXDSWQP-UHFFFAOYSA-N 414.828 3.845 0 1 HHAF CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 14952193 ZAQLTGAFVMGUMB-YLFCFFPRSA-N 413.299 3.809 0 1 HHAF O=c1[nH]c2cccc(N3CCN(Cc4cc(-c5ccc(F)cc5)ccn4)CC3)c2o1 26399124 ZSXXBLKRPFMPGJ-UHFFFAOYSA-N 404.445 3.644 0 1 HHAF O=C(CCOc1ccc(CN2CCCCC2)cc1)N1CCC(Cc2c[nH]cn2)CC1 28570339 ORPPQFQPOWCXQM-UHFFFAOYSA-N 410.562 3.646 0 1 HHAF NS(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccccc32)c(Cl)cc1Cl 60781814 RSVXEXIWBMQVBW-ZDUSSCGKSA-N 417.339 3.608 0 1 HHAF CCc1nc(N)nc(N)c1OCCCOc1ccccc1C1CCC(C(C)=O)CC1 62611427 GKVIGLISMFSOPU-UHFFFAOYSA-N 412.534 3.914 0 1 HHAF in-vitro Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O 146415177 JEALBKSAOZOBET-UHFFFAOYSA-N 409.467 3.697 0 1 HHAF C[C@H]1CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCC5)c4n3)nc2)CCN1 169706794 YNERHABIIHQUTQ-HNNXBMFYSA-N 414.517 3.641 0 1 HHAF Cn1cc(-c2ccncc2Cl)c2ccc(S(=O)(=O)Nc3ncns3)cc21 205423273 STIRYLQMNOJPPF-UHFFFAOYSA-N 405.892 3.546 0 1 HHAF COc1cc(-c2cc(N[C@H](C)c3cccc(OCC(N)=O)c3)nc(C)n2)ccc1C 205829669 DHZOHRWBLCDDHS-OAHLLOKOSA-N 406.486 3.806 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@]12C 253995079 DLYVTEULDNMQAR-HNLMWQGMSA-N 422.606 3.537 0 1 HHAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2ccc(-c3ccccc3)o2)CC1 299819735 FHLJVZAGXXPSEH-WKILWMFISA-N 408.458 3.609 0 1 HHAF COc1ccc(S(=O)(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 586920485 LGZIEQYTVVWXTR-UHFFFAOYSA-N 406.463 3.776 0 1 HHAF N[C@H](N=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587064969 XLPHQLBUPBAPGN-HXUWFJFHSA-N 423.860 3.848 0 1 HHAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587076790 OMGRKFQLMCQRDK-UHFFFAOYSA-N 401.831 3.898 0 1 HHAF COC(=O)[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)OC 587098370 QRCWYHGRMUXWNI-UZLBHIALSA-N 415.445 3.747 0 1 HHAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1 587171688 UOCKRXJTXVNIFS-FQEVSTJZSA-N 421.457 3.646 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239150 ILGNJEMUUWVYEQ-XNVILDLWSA-N 415.490 3.816 0 1 HHAF CCOC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 587243882 CJXJUMPNEYEJIQ-UHFFFAOYSA-N 404.426 3.879 0 1 HHAF CC1(C)Cc2ncnc(N)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587338812 RSULNGZCWFBEBW-NTKDMRAZSA-N 419.456 4.130 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c(I)n[nH]c13)O2 587386345 JIPIZTVDDPHSFL-CQSZACIVSA-N 419.222 3.765 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2ccc(O)cc2)=COc2cc(O)cc(O)c21 587410121 VHIWXKDCDUYYIN-XMMPIXPASA-N 417.417 3.988 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(I)cc1F)[C@@H](C2)C3=O 587428003 MOHAMYSKEMBZJP-SJCJKPOMSA-N 410.182 3.928 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O 587488061 PCGDDYLQEMKGEN-FQEVSTJZSA-N 423.918 3.916 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc3c(cc12)OCCO3 587606845 FHCNHNMCJYWNBA-QPPBQGQZSA-N 402.402 3.967 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2COC(=O)C2)N1 587836340 SURLHUAELVYEAL-RAJNIJHNSA-N 404.279 3.929 0 1 HHAF C=CN1CC[C@H]([C@]2(CSC)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587847664 VAFYCHDOKNULRU-FNFWKMNBSA-N 413.356 3.673 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](C[C@@H]3CCCN3)(c3cccs3)N12 962658567 DIOKLYFDJGTEGI-GLYQVZKVSA-N 421.566 3.781 0 1 HHAF CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965542 LGDSAGIAIVRXEU-MLGOLLRUSA-N 413.770 3.980 0 1 HHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(C[C@@H](C3CC3)N(Cc3ccccc3)C2)N1 963229406 KQZFSEMTOAHVOD-KYPHJKQUSA-N 413.521 3.714 0 1 HHAF COc1cc(-n2c3c(c4nc[nH]c(=N)c42)CCC3)ccc1NC(=O)Cc1ccccc1 1857579448 LJFKUQLWSZJOPJ-UHFFFAOYSA-N 413.481 3.512 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356397757 IHLPJISMQJUWHE-ONTIZHBOSA-N 417.550 3.655 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 95569329 RUFLRZDMEOXJKQ-GOSISDBHSA-N 409.866 3.714 0 3 HHAF CN(CCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 12358047 DWPTVWXVZBYAIW-SFHVURJKSA-N 411.483 3.627 0 1 HHAF CCOC(=O)[C@H](C)Nc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12 13741056 SYHPKSOBMUGCEF-AWEZNQCLSA-N 417.487 3.609 0 1 HHAF COC[C@H](CCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1)OC 13861683 BJVUMFJTYVBRMZ-SFHVURJKSA-N 411.571 3.899 0 1 HHAF COc1ccc(-c2c([C@@H]3OC(=O)[C@H](C)[C@@H]3C)cc3c(c2OC)OCO3)cc1OC 15210967 VWNZODRHLJRMBA-AVCJSFLBSA-N 400.427 3.978 0 1 HHAF biogenic CC(C)Cc1ccc(C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)cc1 19836884 NASSYUXRTZJHTB-UHFFFAOYSA-N 408.542 3.752 0 1 HHAF Fc1ccc([C@@H]2C[C@@H](N3CCN(CCN4CCN=C4S)CC3)c3ccccc32)cc1 26295091 KEZSHZKFTHXJAG-XZOQPEGZSA-N 424.589 3.621 0 1 HHAF COc1ccc(CNC(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 28528211 YJOMTYUCSRAHKT-UHFFFAOYSA-N 419.268 3.907 0 1 HHAF COC(=O)[C@@H](NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C)C(C)C 28771031 BGSQJLBMFYVHEF-FQEVSTJZSA-N 420.550 3.660 0 1 HHAF O=S(=O)(c1cccc2ccccc12)n1ncc2ccc(NCC3CCNCC3)cc21 40411046 RBQOGDHSDMIBCS-UHFFFAOYSA-N 420.538 3.838 0 1 HHAF CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2Cl)cc1 45506572 IISXIIZLVIQRKF-CRAIPNDOSA-N 415.921 3.851 0 1 HHAF COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(C)CCO)n2)cc1 82066579 KFDHILVHZWGQOJ-QGZVFWFLSA-N 423.517 3.534 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)s1 82175724 GBXXUYCTDCAUNN-CYBMUJFWSA-N 411.506 3.670 0 1 HHAF C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211474 SRNCKICRNPMNBF-AWEZNQCLSA-N 420.444 3.542 0 1 HHAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(C3CCOCC3)c(=O)c12 88346048 RVCWJSKUGLHUEL-CQSZACIVSA-N 404.474 3.501 0 1 HHAF COCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 95574132 YXRXOBOTFASVBH-NNIZRDCOSA-N 400.494 3.732 0 1 HHAF O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NC1CCC1 96923220 YMTIPOCUGBRHIB-UHFFFAOYSA-N 404.495 3.628 0 1 HHAF Cn1c2c(c(=O)n1-c1cccc(I)c1)[C@H]1CC[C@]2(C)C1(C)C 141795126 NOPGMCGZGOFYEM-ACJLOTCBSA-N 408.283 3.956 0 1 HHAF CN(CCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1 169714675 DOWBKANKJGBEHR-UHFFFAOYSA-N 411.483 3.779 0 1 HHAF C[C@H]1CCCC[C@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 207148907 XEGAKSMBTFYKAD-HOCLYGCPSA-N 424.538 3.589 0 1 HHAF COc1cc(C[C@H]2COC(C)(C)OC[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 238732887 YJHACFXKVFCHFP-ROUUACIJSA-N 402.487 3.916 0 1 HHAF Cc1ccc2c(ccc3nc(CN(C)S(=O)(=O)c4ccc(Cl)cc4)[nH]c32)n1 586928925 OKSCERRMQBDEQN-UHFFFAOYSA-N 400.891 3.894 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc(C)cc4[nH]3)cc2)cc1 586944881 PJZZAJQYJABIPI-UHFFFAOYSA-N 420.494 3.614 0 1 HHAF COC(=O)c1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2n1 587240696 OWYVBZYOQGHBJA-UHFFFAOYSA-N 416.437 3.607 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587375935 WCDFXWMJFBJANG-KPLVRAHFSA-N 416.470 3.945 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C(=O)OCC 587477438 RFDIOGNYVVCEAR-CPJSRVTESA-N 423.509 3.744 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(NCCCOC)nc1C)CC2=O 587494300 KVJYXLUVFAFZHD-NRFANRHFSA-N 404.532 4.439 0 1 HHAF CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521633 ITMKPSLSISFCFW-HSZRJFAPSA-N 402.487 3.668 0 1 HHAF C[C@]1([C@@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582182 YNKDTBXTDAQAEA-HARLFGEKSA-N 418.405 3.886 0 1 HHAF Cn1cc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cn1 587612238 LKVULDJBPMNPAU-YLJYHZDGSA-N 405.435 3.952 0 1 HHAF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 587638985 MBSSRTZQSFUSFJ-GFCCVEGCSA-N 402.447 3.767 0 1 HHAF CCCCCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O 587654991 REONCMKOIZNBSJ-UHFFFAOYSA-N 422.872 3.639 0 1 HHAF Cc1nc2sccn2c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587663192 XMNADSJRVIDNNA-UHFFFAOYSA-N 404.426 3.909 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 587726058 UAHIPDOKSJZIIP-QPFGOUBPSA-N 400.194 3.729 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587799021 VREMKMPZPZGZCI-RBHXEPJQSA-N 404.239 3.786 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN[C@@H](C)c1ccccc1 587867471 FMALUATUHAAZBG-ZDUSSCGKSA-N 404.392 3.964 0 1 HHAF O=C(O)c1cc(-n2c(O)ccc2OCCc2ccccc2)c(Br)cn1 587940500 PPSHPTMMOHVWHG-UHFFFAOYSA-N 403.232 3.660 0 1 HHAF COc1ccccc1[C@]1(c2cccc(OC(C)=O)c2)NCCc2c(C(=O)O)cccc21 963136093 XYWUORSQZKKNDN-RUZDIDTESA-N 417.461 3.756 0 1 HHAF COc1ccc2c(c1OC)[C@](C)(c1ccc(C)nc1)N(C(=O)c1ccccc1N)CC2 963147359 BXBMWPPIHZTUEW-VWLOTQADSA-N 417.509 3.951 0 1 HHAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@@H]2CCCOC2)N1C(=O)c1ccccc1 963449795 STEPCMOIAZIEFG-BUVFEPMLSA-N 404.466 3.787 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@H]1CCCCN1Cc1ccccc1)C2 1772620021 WOXSRYRINRYFSJ-CTNGQTDRSA-N 423.509 3.657 0 1 HHAF O=C(/C=C/c1cnccc1-c1cncs1)Nc1ccc(CN2CCOCC2)cc1 1772641062 RRUNJKSXHDYIGD-ZZXKWVIFSA-N 406.511 3.689 0 1 HHAF Fc1ccc([Si@]2(c3ccccc3)CC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 1857621999 GAOQEODVVZUJNQ-AYWVHJORSA-N 416.616 3.983 0 1 HHAF O=C(NC1CCN(c2nccc(Nc3ccc(F)cc3)n2)CC1)c1ccccc1F 1857750557 QSOORWBCDCSCEE-UHFFFAOYSA-N 409.440 3.897 0 1 HHAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)[C@@H]1C[C@H](C(C)=O)[C@]2(C)O 2356411168 JFXHBZJISWEQOJ-IBYOBVDMSA-N 422.562 3.846 0 1 HHAF CCOC(=O)c1cccc2c(O)c(C(=O)c3ccc(Cl)cc3)c(C(=O)OC)nc12 8830413 UCJKCXDLQQDKIC-UHFFFAOYSA-N 413.813 3.788 0 3 HHAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(C(F)(F)F)ccc12 13860801 UIRKEJYPYSAKRR-UHFFFAOYSA-N 419.384 3.700 0 1 HHAF C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 34576126 CCDVJVRCTNQEOE-CQSZACIVSA-N 406.523 3.915 0 1 HHAF COc1ccc(NC(=O)CCNc2cc(C)nc(NCCOc3ccccc3)n2)cc1 45167838 VWJMSLIYOSKCEV-UHFFFAOYSA-N 421.501 3.725 0 1 HHAF COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c(F)c2)c1 66080102 XCYPPUAPQPUXSG-GJZGRUSLSA-N 420.506 3.753 0 1 HHAF COc1cc2nc(N3CCC(O)CC3)nc(NCc3ccc(C)cc3)c2cc1OC 82130211 LUNBFLNXYCJDKG-UHFFFAOYSA-N 408.502 3.529 0 1 HHAF Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c3ccccc3nc-2c1O 100705152 AXIFVGHLFFVNLT-UHFFFAOYSA-N 400.410 3.788 0 1 HHAF CCCC[C@H](NC(=O)O[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 101031482 HMVXEHSUUNUEBL-ZJXIFLPPSA-N 400.519 3.907 0 1 HHAF O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(F)cc1 103226503 OJXXKNVFVVDYAN-HSZRJFAPSA-N 408.379 3.917 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc2ncccc2c1 169351558 LAXYJGRSAWAGRI-HQXHQGFZSA-N 421.493 3.819 0 1 HHAF Cc1[nH]c2cn(Cc3ccn(C)n3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730478 UISHBYREEFDTQM-UHFFFAOYSA-N 416.312 3.804 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CCO)no2)cc1C#N 202712636 CTTFKORTOJLIDU-OAQYLSRUSA-N 418.497 3.974 0 1 HHAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(C3=CCOCC3)c2n1 207623365 OZARPDIJVAIOGQ-UHFFFAOYSA-N 414.469 3.981 0 1 HHAF COc1cc(CN2CCCCC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 377848954 AEMICQFVXKBVLW-UHFFFAOYSA-N 418.493 3.899 0 1 HHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(C)c(Br)cnc3[nH]2)c1 586931080 VBPLRQOFRDIHOZ-UHFFFAOYSA-N 423.336 3.726 0 1 HHAF Cc1c(Br)cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1C 586949806 AWIQMKNTQFWLMJ-UHFFFAOYSA-N 408.321 3.905 0 1 HHAF COc1ccc2nc(-c3nc4ncc(I)cc4[nH]3)sc2c1 587036048 ZAWBDAWYLMCQTF-UHFFFAOYSA-N 408.224 3.848 0 1 HHAF O=C(O)c1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587064387 RRBIRGYXNMRPDM-UHFFFAOYSA-N 409.829 3.822 0 1 HHAF Cn1nnc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1C(F)F 587129277 WBLPJHILFPQYFD-UHFFFAOYSA-N 407.016 3.821 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCC(=O)CC1 587234284 ITGLCXJOPKYXCN-UHFFFAOYSA-N 409.389 3.748 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(N4CCCC4)nc1Cl)[C@@H](C2)C3=O 587421696 RCIBXRDQXHZHGD-ZBEGNZNMSA-N 406.269 3.881 0 1 HHAF CCOC(=O)c1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613859 QVADILYTBAUUBF-IERDGZPVSA-N 411.435 3.902 0 1 HHAF COc1cc(C2(c3nc4cc(I)cnc4[nH]3)CC2)ccc1C 587928034 WLUUWDPPZFVMGP-UHFFFAOYSA-N 405.239 3.959 0 1 HHAF C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H]1C[C@@H](O)C(C)(C)O1 1772588228 YKAVTBPLBCQDSH-JJEMHMFQSA-N 409.526 3.913 0 1 HHAF CC1=CCC2=C(C(C)C)CC(=O)O[C@]2(C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@@H]1O[C@@]3(C)O 2356532430 YAEXNKPEJYCROB-RFANRMBXSA-N 416.514 3.945 0 1 HHAF CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(cccc2N2CCCC2)O1 72136176 MWRRYDOCMSCBHM-GOSISDBHSA-N 410.580 3.655 0 3 HHAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@@H](O)CC)c1 774171 XZUGPKWJMAWYNY-KRWDZBQOSA-N 410.470 3.917 0 1 HHAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1C 776419 WYPHFSYCVXZADD-SFHVURJKSA-N 410.470 3.738 0 1 HHAF O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2)N1CCOCC1 2458805 SNTGOKFISCTNKV-UHFFFAOYSA-N 420.893 3.590 0 1 HHAF O=C(Cc1cccs1)N[C@H]1CCN2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2C1 3841247 VMGQGQGWTGWVQO-JXFKEZNVSA-N 419.506 3.560 0 1 HHAF biogenic Cc1ccc(C)c(Cn2c(C)c(CNCCCN3CCCC3=O)c(C(=O)O)c2C)c1 8932575 GNPPCCGBXLRCIS-UHFFFAOYSA-N 411.546 3.570 0 1 HHAF COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)cn2C)cc1 26296640 HFFORPFSZPKIKW-UHFFFAOYSA-N 417.506 3.970 0 1 HHAF Cc1cc(C)c(OC[P@](=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 26746889 ZLOOMNLULUDKPE-INIZCTEOSA-N 410.378 3.860 0 1 HHAF O=C1[C@H]([S@@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 27848703 TZQGTALDABUEJY-IEOSBIPESA-N 409.482 3.979 0 1 HHAF COc1ccc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N3CCCN=C32)cc1 35969000 PIONCLLNBJJWDA-DEOSSOPVSA-N 415.472 3.572 0 1 HHAF Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc1CC2 40898507 BCHVBCKIBJXEAE-UHFFFAOYSA-N 401.514 3.525 0 1 HHAF CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CC(C)C)CC3)oc(=O)c12 43016150 ZLWNPQHHXXNYGL-UHFFFAOYSA-N 422.529 3.599 0 1 HHAF O=C(O)c1cccc(OC(=O)[C@@H]2Cc3ccccc3N(Cc3ccccc3)C2=O)c1 45338135 NZKHLNSMSFQLOI-HXUWFJFHSA-N 401.418 3.696 0 1 HHAF CCc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)ccc1C(=O)O 64446945 HSIZTEGDZXKHAK-UHFFFAOYSA-N 409.442 3.679 0 1 HHAF COc1cc(C(=O)O[C@H]2C[C@@H]3CC[C@]2(C)[C@]3(C)I)ccc1O 101464820 KMCWFSRJAGUCQK-YJOCZYATSA-N 416.255 3.940 0 1 HHAF CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 103192526 DUGXXFHLRPGHIU-UHFFFAOYSA-N 406.813 3.861 0 1 HHAF N/C(=N\CCCOc1ccc(F)cc1)Nc1ccc(I)cc1 206929711 IWFOFMOHDIUVDV-UHFFFAOYSA-N 413.234 3.626 0 1 HHAF COc1cc(-c2cc(=O)c3c(O)cc(OC(=O)c4ccc(O)cc4)cc3o2)ccc1O 238748851 BIFRNLREHKDBMX-UHFFFAOYSA-N 420.373 3.805 0 1 HHAF Cc1cc(Cl)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586947447 YVOHGFMBAMDHBC-OAHLLOKOSA-N 405.907 3.649 0 1 HHAF COc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1OC 586984139 IVLIOIVGMGHGSA-INIZCTEOSA-N 418.291 3.763 0 1 HHAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 587023751 HGAZXIMLCIAJNG-UHFFFAOYSA-N 417.388 4.510 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587093012 CPFQKTPPHVVPII-OAHLLOKOSA-N 419.812 3.760 0 1 HHAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587159238 NUSCDEZHIPFHBK-UHFFFAOYSA-N 400.417 3.944 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587350725 YAOXAUCFZSLJEA-OFNKIYASSA-N 401.397 3.952 0 1 HHAF COc1cc2c3c(c1)O[C@@](COC(=O)c1ccccc1N)(c1ccccc1)[C@@H](C2)C3=O 587431506 GJJPMPALJFXFTB-DFBJGRDBSA-N 415.445 3.777 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(CSc1nnnn1-c1ccccc1)CC2=O 587491710 MZYFQVSTRTXVIR-NRFANRHFSA-N 410.499 3.837 0 1 HHAF C=C1NC(C)=Cn2nc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587586521 KLMWZFSZSIFAPZ-OFNKIYASSA-N 401.422 3.858 0 1 HHAF COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726084 UFMYONITGPAEDG-NIVTXAMTSA-N 414.221 3.817 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CN(C(=O)OCc3ccccc3)C2)N1 587758766 DNMLHWSVENVCPU-CYBMUJFWSA-N 419.294 3.970 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C 587827024 MSBHYFBZMWDAAR-RJJAKRAASA-N 424.310 3.798 0 1 HHAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587952083 LTQXYFAINZQXAY-GUXCAODWSA-N 421.563 3.630 0 1 HHAF Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2CNCC[C@@H]2c2ccccc2)oc1Cl 1857570240 MVGKTBRSCGMQRY-CJNGLKHVSA-N 419.312 3.862 0 1 HHAF COc1ccc(CCN(C(=O)O[C@@H]2CN3CCC2CC3)c2ccccc2)cc1OC 1857615290 GNHXYBDOJNQUSM-HSZRJFAPSA-N 410.514 3.984 0 1 HHAF O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@@H]4CCNC[C@@H]4F)cc3c2)c2n1CCC2 1911572316 WLDNDKUPNXWOSV-FUHWJXTLSA-N 420.410 3.703 0 1 HHAF Fc1ccc2c(c1)CC[C@H](c1nnc(-c3cn(Cc4c(F)cccc4F)nn3)o1)O2 1911576412 DSSBCUWCMRYKAZ-GOSISDBHSA-N 413.359 3.860 0 1 HHAF CC(=O)[C@@H](O)C(=C[C@@H](O)C(C)=O)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 2356589797 SPDXMPWYKQHATD-WCIJKQIQSA-N 406.563 3.603 0 1 HHAF CC1=C[C@H](c2cc(O)cc(OS(=O)(=O)O)c2)[C@@H]2[C@H](C)CN=C3C[C@H](C)C[C@H]1[C@@H]32 2356800567 QCLDAHVVVNMYLA-MSOYCOHVSA-N 405.516 3.987 0 1 HHAF Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)C(=O)NCN2c1ccccc1 28564250 GZULFGFRHZXXKQ-ZEQKJWHPSA-N 419.569 3.554 0 1 HHAF O=C(Nc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 34046348 ZWXIQEUZDPMEKN-RBUKOAKNSA-N 415.335 3.671 0 1 HHAF CCCN(CCCCN1C[C@@H]2CCC[C@@H]2C1=O)[C@H]1COc2cccc(OC)c2C1 36187779 ZSCQNYLCSNCYIW-ZCNNSNEGSA-N 400.563 3.749 0 1 HHAF CCOc1ccc2c(c1)cc([C@H](OC(C)=O)P(=O)(OCC)OCC)c1nnnn12 49054446 HLYRDVOIXIXEHQ-GOSISDBHSA-N 422.378 3.504 0 1 HHAF O=C(N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1)C(F)(F)F 72186084 YPTYSDQCHYUPBN-INIZCTEOSA-N 401.791 3.670 0 1 HHAF COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 82066777 SHOURTGPWDCRBN-HOTGVXAUSA-N 415.538 3.585 0 1 HHAF CC(C)[C@H](NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)O 84616545 YHNZZKJGERGDQX-NRFANRHFSA-N 416.562 3.927 0 1 HHAF CCCSc1nc(N2CCC[C@H](C(=O)O)C2)ccc1C(=O)NC1CCCCC1 95579473 MFQPYWLVPWCPPR-HNNXBMFYSA-N 405.564 3.947 0 1 HHAF O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 100273350 BCJDNNFWCNRPAM-UXHICEINSA-N 400.390 3.573 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(OC)cc1 203532233 AVGGFEOAEMYTBP-UHFFFAOYSA-N 416.861 3.576 0 1 HHAF N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Cl)C1 205255602 ORMLAAJINVYSDT-AWEZNQCLSA-N 405.893 3.663 0 1 HHAF COc1ccc(F)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225086615 QTOMNSSJCBTOBJ-UHFFFAOYSA-N 410.430 3.640 0 1 HHAF CCCCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253848712 BARMHYIDIPSZOD-KJMDDALNSA-N 423.553 3.786 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCNCC4)n3)c(Cl)cn2)CC1 261080451 BPYNKWMURHAWBV-QAQDUYKDSA-N 415.969 3.924 0 1 HHAF Cc1cc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2c(C)n1 586943946 KGELHMLMGJNDBN-UHFFFAOYSA-N 412.540 3.824 0 1 HHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 586954005 XKHBYKFYAFIWNU-UHFFFAOYSA-N 415.338 3.746 0 1 HHAF O=[S@](CCCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1 586960920 QXGVAXKZYMEYGQ-XMMPIXPASA-N 407.289 3.795 0 1 HHAF Cc1c(-c2nc3cc(Br)ncc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074317 SAKBTSYNRJTUES-UHFFFAOYSA-N 403.671 3.989 0 1 HHAF CCOC(=O)C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)OCC 587107159 PZOLDTCGQQQQQE-UHFFFAOYSA-N 403.434 3.731 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2cnc3ccccc3c2[nH]1 587183462 ZRFKQJQPWLZYNW-SNVBAGLBSA-N 403.227 3.830 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587229355 AIYPBTDQJZCVCA-MOPGFXCFSA-N 405.498 3.830 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)CC2=O 587484890 HYIFOMKFGQICKG-QFIPXVFZSA-N 413.495 3.731 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC 587587594 NJMOLXMBKLBKBF-FXAWDEMLSA-N 409.394 3.516 0 1 HHAF COc1cc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(OC)cc1Cl 587648918 JOQBJYCAHKSHDP-UHFFFAOYSA-N 422.890 3.803 0 1 HHAF Cn1ccc(-c2ccc([C@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)cc2)n1 962666177 MMJOPQIBXODAEQ-DHLKQENFSA-N 412.493 3.823 0 1 HHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 962900446 QWQFBGDOPXBYIM-AVRDEDQJSA-N 407.470 3.849 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2C2(N1)[C@H]1CC3C[C@H]2CC(O)(C3)C1 963200051 XGVWASDLPQXFDH-XJASEWIBSA-N 415.839 3.724 0 1 HHAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(F)c(F)c1 1772649095 GEARHVGBHFRSBG-WMQCIHAUSA-N 404.432 3.599 0 1 HHAF Cc1cn(C23CC(N=c4nc5n([nH]4)CCCC[C@H]5c4ccc(Cl)cc4)(C2)C3)cn1 1857567712 UKAFCWRUMNMSBA-XTWGIRIWSA-N 408.937 3.918 0 1 HHAF CC[C@@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857594321 ZBRPBUKYJOIFCH-GFCCVEGCSA-N 415.588 3.782 0 1 HHAF Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCCN2CCOCC2)cc1 1857608518 HQXURVDTMCNLFE-UHFFFAOYSA-N 407.470 3.613 0 1 HHAF O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CCN1 1857769858 HPQMVBXYKXFHGT-UHFFFAOYSA-N 417.900 3.649 0 1 HHAF CC(=O)OCC1=CCC[C@H]2[C@]1(C)[C@H](OC(C)=O)C[C@@H](C)[C@@]2(C)CCC(=CCO)CO 2356331717 NYTNVERZLHWZGZ-UMAORYOQSA-N 422.562 3.561 0 1 HHAF COc1cc(CCC(=O)CC(=O)CCC[C@@H](O)CCc2cccc(O)c2)ccc1O 2356349247 ADLGPORJPYLWAY-LJQANCHMSA-N 414.498 3.731 0 1 HHAF CC(=C[C@H](C)Cc1ccccc1)CCCCC[C@@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O 2356397465 NLNJIEVMUWDLAZ-WCAVRKLYSA-N 420.502 3.753 0 1 HHAF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356745065 AQDAYDTZHUECMQ-ZDPZBOCVSA-N 420.634 3.911 0 1 HHAF C[C@@]1(Cc2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 61904769 YAPHQENZURKEDC-QFIPXVFZSA-N 416.518 3.889 0 3 HHAF O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F 6919277 DYCOKVCQABFVBO-UHFFFAOYSA-N 416.499 3.569 0 1 HHAF CCS(=O)(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCC3)C2CC2)c1 13761609 LZZGJWXZAAPEDQ-LJQANCHMSA-N 417.527 3.918 0 1 HHAF COc1c(OCCF)cccc1[C@@H](O)C1CCN(C(=O)Cc2ccccc2)CC1 40423295 RISGRIALVAHWGA-QFIPXVFZSA-N 401.478 3.558 0 1 HHAF O=C(CCn1cncn1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 45229136 YTDOMTWMHZZZPC-SFHVURJKSA-N 400.486 3.618 0 1 HHAF CC(C)=CCC/C(C)=C/CC(Cc1cccnc1)(P(=O)(O)O)P(=O)(O)O 64510654 SKDUDEATSIOUGB-OQLLNIDSSA-N 403.352 3.759 0 1 HHAF CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO 95878783 CQFOTEJANFUFPP-FGCOXFRFSA-N 424.516 3.620 0 1 HHAF O=C(c1cccc(F)c1)c1cc(F)ccc1/C=C\OCCN1CCC[C@@H](C(=O)O)C1 96923620 OQOWWWFOFMMLDT-IBWPDUFMSA-N 415.436 3.980 0 1 HHAF O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cccc(Cl)c1Cl 101564382 WQIXMZZBJNNCBR-AWEZNQCLSA-N 420.252 3.831 0 1 HHAF CN1CCN(c2cc(-c3ccc(-c4csc(NC(=O)C5CC5)n4)cc3)ccn2)CC1 145269990 FVRIVUROEXUOAN-UHFFFAOYSA-N 419.554 3.972 0 1 HHAF O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCOCC3)ccc21 201629852 ARYICEGDNNUTHB-UHFFFAOYSA-N 401.875 3.506 0 1 HHAF CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224783016 XEMAVSYANKLQMS-UHFFFAOYSA-N 411.380 3.954 0 1 HHAF C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](CN3CCN(c4ccccc4)CC3)[C@@H]2CC1 299876167 FEFXVKIJLJCFDJ-RGABKLMNSA-N 410.558 3.692 0 1 HHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586918354 XHUMZIRSXAFNAK-DVECYGJZSA-N 405.498 3.612 0 1 HHAF Cc1onc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076324 PPXBXQSDPPOWOS-UHFFFAOYSA-N 407.821 3.734 0 1 HHAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2ncnn12 587343558 CRDLDWMEGXNLQQ-SIKLNZKXSA-N 404.401 3.552 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(C)cc3nc1N1CCOCC1)O2 587398362 FKFPXOAHRQONGG-JOCHJYFZSA-N 403.482 3.977 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)[C@@H](C2)C3=O 587418935 FFPHELPGCPBYPD-VBKZILBWSA-N 421.371 3.724 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582334 ZSTOSZDITDQOKR-MHALITNNSA-N 419.433 3.608 0 1 HHAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3nc(C(F)(F)F)cs3)N12 962670000 QTYLUQBVUQXSEN-KSSFIOAISA-N 407.417 3.898 0 1 HHAF CCOC(=O)CC[C@]1(c2ccccc2SC)c2ccsc2CCN1C(N)=O 962718121 YOYLBJFTQVUMSQ-FQEVSTJZSA-N 404.557 3.994 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2ncn3ccccc23)N1 962928372 YIKNFQIQPNUBQI-PZJWPPBQSA-N 401.422 3.521 0 1 HHAF COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2NCCc3c(C)ccnc32)c1 963071335 QTFPUKLZWDDBED-MUAVYFROSA-N 408.523 3.809 0 1 HHAF C[C@]1(O)CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356289432 VSPSOGBFHOXYCS-ARNLJNQMSA-N 419.500 3.717 0 1 HHAF CCCCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]1[C@H]2C 2356307685 LHEBXTCMVABHAM-VDCIBBKSSA-N 419.635 3.745 0 1 HHAF CC[C@@H]1[C@H](C[C@H](C)C(=O)OC)O[C@]23CC[C@H]([C@@H]4C[C@@H](C)C(=O)O4)N2CCCC[C@@H]13 2356336279 KSRHASDCOAHRSY-VEMDBFPUSA-N 407.551 3.523 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCC(C)(C)CO 4310437 CZADVFJUACIYNC-SFTDATJTSA-N 420.550 3.852 0 1 HHAF COC(=O)[C@H](CCSC)NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4958648 HHCXZSAREPTSDJ-INIZCTEOSA-N 406.935 3.792 0 1 HHAF CC[C@H](C)N1CC(=O)N2[C@@H](c3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6707137 LWPCIFBETYGOOY-HXKVFGNASA-N 417.509 3.660 0 1 HHAF biogenic CN(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1noc2ccccc12 13737880 HINBYTOQYDZMEP-UHFFFAOYSA-N 409.461 3.634 0 1 HHAF COc1cc(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc(OC)c1OC 26391522 XJZGJZWKWJEXMD-UHFFFAOYSA-N 404.419 3.598 0 1 HHAF O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 28570869 LAKQAEHCCWPUIS-GOSISDBHSA-N 406.486 3.799 0 1 HHAF CC(=O)O[C@@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 29470314 MAGYBABEPXGSNC-HOBGCTPMSA-N 424.837 3.760 0 1 HHAF C[C@@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 38308722 YKLPUVUAAJRISU-OAHLLOKOSA-N 403.548 3.916 0 1 HHAF COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCCCOc1cccc(Cl)c1 45388821 NGBAQPHQWWKMAK-YBEGLDIGSA-N 418.902 3.542 0 1 HHAF CN1C(=O)N(c2cccnc2Cl)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565555 WBWGZQLRCCLJPG-AWEZNQCLSA-N 413.692 3.599 0 1 HHAF [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@H]5CCNCC[C@H]5F)c4n3)n2c1 96175090 GFVZLOMZOSEUPY-AEFFLSMTSA-N 402.433 3.964 0 1 HHAF Nc1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCC3)cc2n1 115950978 KAUYYUTZOLDHOF-UHFFFAOYSA-N 404.449 3.682 0 1 HHAF CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@@H]4CCNC4)C3=O)ccc12 147345618 ARDFDEABQBPUBL-MRXNPFEDSA-N 407.543 3.599 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 169295365 ZHDUETSVHPQFSE-YGBDOONVSA-N 414.461 3.505 0 1 HHAF CC(C)(C)CC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169361823 RHYRXROSVKTLCJ-UJPFMJPISA-N 423.553 3.642 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OC(C)C)cc3F)C2)cc1 169709191 WSVIYTIAFXNFCE-HNAYVOBHSA-N 401.482 3.863 0 1 HHAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2cccnc2)CC1)OCO3 206569094 JIXQNRKKJKCXCL-UHFFFAOYSA-N 405.498 3.558 0 1 HHAF COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1C(=O)N1CCOCC1 473136924 VEBDWRZKAQQDHE-UHFFFAOYSA-N 416.840 3.647 0 1 HHAF CC(=O)N[C@H](Cc1nc2ccc(C(C)=O)cc2[nH]1)c1ccc(Br)cc1 586985556 OHAWMFZDDFEHDW-QGZVFWFLSA-N 400.276 3.948 0 1 HHAF CCOC(=O)Cc1c(CCC(=O)O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098366 QNZKWPFUYUKQEQ-UHFFFAOYSA-N 403.434 3.877 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O 587348075 CEYVIXBPUDQSSP-WYWCTVAXSA-N 424.424 3.719 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CCc1c(C)[nH]c4ccc(OC)cc4c1=O)[C@@H](C2)C3=O 587434921 AJDRYAWFWKUGPO-UQBPGWFLSA-N 419.477 3.993 0 1 HHAF COC(=O)/C=C/c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592180 IRIXMHDIGPJFLJ-WMVJUEPLSA-N 418.401 3.987 0 1 HHAF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621867 MTYPKMGSGZWUKB-UHFFFAOYSA-N 404.142 3.571 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)cc2Br)N1 587681673 KFUHSTVNUGBHPZ-FUXBKTLASA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COC(=O)c2ccccc2N)N1 587745435 FRLQSZJRUTUTAP-NSPYISDASA-N 407.283 3.777 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnn2)N1 587761199 UBAVFRMQPYHQAL-BLVKFPJESA-N 401.283 3.967 0 1 HHAF COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587768487 CZNKZVNMLHZHCE-NSPYISDASA-N 423.282 3.634 0 1 HHAF CCNc1cc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)ccn1 587923606 YVGPJMHCTHVKRB-UHFFFAOYSA-N 402.545 4.090 0 1 HHAF CCOC(=O)[C@@H]1C(=O)C[C@@H](c2cccnc2)N(c2ccccc2)[C@H]1c1cccnc1 653793862 HAOGGTWLSZGSCY-WWNPGLIZSA-N 401.466 3.918 0 1 HHAF CC(=O)Oc1cccc([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962917061 YYKLCYKOYWXRLV-LADGPHEKSA-N 405.425 3.642 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(N1)C(=O)Nc1ccc3ccccc3c12 962981574 VHQIEWNRCUBDFN-BTYIYWSLSA-N 414.795 3.566 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@@]31[C@H]2CCO[C@@H]1CN(Cc1ccccc1)C2 963049835 AZWPBIGRXNCUFN-VAPDBKPJSA-N 415.537 3.505 0 1 HHAF Fc1ccc2c(c1)C[C@@H]1CCCN1C21CCN(c2ncc(Br)cn2)CC1 963107279 XIVOWETWXCYRCN-KRWDZBQOSA-N 417.326 3.894 0 1 HHAF Cc1c(Cl)ccc(O)c1C(=O)N[C@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 2356327487 BKHFTNHFLNCCGT-OAHLLOKOSA-N 407.253 3.914 0 1 HHAF O=C(Nc1ccc(F)cc1)[C@H](c1cccc(F)c1)N1CCN(c2ccncc2)CC1 95569958 XNBNOSRYRRIVPJ-QFIPXVFZSA-N 408.452 3.862 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 4050825 NFHJAHDDZGCTCX-QYTDDSRESA-N 410.514 3.700 0 1 HHAF CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238752 NZVWKAFEAGGROF-UHFFFAOYSA-N 411.387 3.751 0 1 HHAF O=C(O)C[C@](O)(CSCCCCCCc1c(Cl)cncc1Cl)C(=O)O 13758226 HKCSEDLYHWYCLF-INIZCTEOSA-N 410.319 3.515 0 1 HHAF COC(=O)c1sccc1NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 20531051 OWPRGMIASWDLRB-SFHVURJKSA-N 406.463 3.871 0 1 HHAF O=C(CCCCN1CCN(C[C@@H]2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 22925200 MFOZPYTUDQEMMW-GOSISDBHSA-N 412.505 3.835 0 1 HHAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CC(=O)O)cc2)cc1 45288848 ZNFSHPJLOPXBFG-UHFFFAOYSA-N 424.400 3.589 0 1 HHAF Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 58592794 XNJRTGXZCIRPJA-HSZRJFAPSA-N 420.536 3.510 0 1 HHAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@H]2[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 59103298 LWZWBYRGDGPPBO-NOTPXAQJSA-N 418.530 3.822 0 1 HHAF COc1cc(-c2nnc3n2CCCN3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1 66103785 LXKILWRYAZZTJW-UHFFFAOYSA-N 418.476 3.997 0 1 HHAF CC1(OC(=O)N2CCC([C@H](F)CNC(=O)Cc3c(F)ccc(F)c3F)CC2)CC1 66104375 QCIKTRZVLCLGFT-MRXNPFEDSA-N 416.415 3.502 0 1 HHAF in-vitro CCOC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1 73220992 XAZFNZDVDITBSC-UHFFFAOYSA-N 422.872 3.852 0 1 HHAF CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 84616870 GPFBOILGPPNQAT-FCHUYYIVSA-N 406.530 3.722 0 1 HHAF COc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C 95566078 KDRSZLIDZPCWQR-UHFFFAOYSA-N 402.857 3.544 0 1 HHAF O=C1c2ccccc2CC[C@@H]1CNCCc1ccc(O)c([125I])c1 100057478 DUOOAUBZMQZYLO-XZNBXVSQSA-N 419.279 3.574 0 1 HHAF in-vitro Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccncc45)ccc31)[C@H]1CC[C@H](C2)N1 100633028 BTMMENVDRRTWFL-DNVCBOLYSA-N 403.507 3.909 0 1 HHAF CC(C)n1cc(C2=NS(=O)(=O)c3cc(Br)cnc3N2)c2ccccc21 102954562 YTVIPOUIQBDISJ-UHFFFAOYSA-N 419.304 3.941 0 1 HHAF CC(C)COC(=O)NC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O 169687386 WBRHGMNHQLDXNU-VBKZILBWSA-N 404.850 3.761 0 1 HHAF O=C(NCc1ccc([S@@](=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1 223397066 YKTUZLHYXSJRBO-GDLZYMKVSA-N 413.405 3.598 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1C=Cc2c(ncn2-c2cnccn2)C1 225970805 SZTATUNQORHJBD-UHFFFAOYSA-N 405.767 3.961 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174667 KLESEWLJWHYQAO-UHFFFAOYSA-N 400.479 3.853 0 1 HHAF O=C1CC(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587352061 LPLWDFRVBBHFCU-VWNXMTODSA-N 402.377 3.941 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)O 587516205 ADMPNFDEIXRTPH-UZUQRXQVSA-N 415.486 3.754 0 1 HHAF O=C(c1cc(C(F)(F)F)n[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655721 PPXFRVFFFWIYQP-UHFFFAOYSA-N 420.297 3.772 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 587747833 SDHLGLVJEAZEGB-WYRIXSBYSA-N 407.283 3.813 0 1 HHAF CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793806 LEZWGKFTVZRVGS-GIGQVBGESA-N 423.282 3.941 0 1 HHAF CCC[C@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797625 MOMWNEIDLCCSDQ-BBATYDOGSA-N 400.288 3.640 0 1 HHAF COc1ccc(Cn2cc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cn2)cc1 962775152 ZHGAVBCEVSBFRT-UXHICEINSA-N 415.415 3.675 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(OC)c(OC(F)F)c(OC)c1 963633375 HVVUJZJISGEATG-JEOXALJRSA-N 409.429 3.946 0 1 HHAF Oc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 1772619659 UUTWNAKPHRTMAJ-JOCHJYFZSA-N 405.494 3.720 0 1 HHAF C[C@@H]1C[C@H]1c1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCCCC2)n1 1857560122 UOGXIUULIZLNGW-CRAIPNDOSA-N 405.506 3.804 0 1 HHAF CC(C)Oc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C 1857633719 JHHIQNTUDGFNDX-UHFFFAOYSA-N 422.938 3.991 0 1 HHAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@H](CO)[C@]2(C)CC[C@H](C)CCO 2356459075 WWZZSZPMEOPTGE-CCXUQAHUSA-N 424.578 3.943 0 1 HHAF CC(C)N1C[C@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1C(=O)c1ccco1 61920878 VAWMTIFBMPYRPL-LJQANCHMSA-N 407.392 3.943 0 3 HHAF CC(C)(C)OC(=O)NCCc1nc(NC(=O)OCc2ccccc2)sc1C(=O)O 95567800 AQKSJVAVSKJKED-UHFFFAOYSA-N 421.475 3.657 0 3 HHAF CCN1C(SCC(=O)N2CCCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21 104023344 SYGDPPDJMGHYDD-RELWKKBWSA-N 417.538 3.980 0 3 HHAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4039062 FBADSMWPOHDRAR-ZDXQCDESSA-N 423.557 3.855 0 1 HHAF O=C(Nc1cnn(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1)c1ccco1 14976219 NDKWDJZGUCVFAL-INIZCTEOSA-N 421.482 3.702 0 1 HHAF c1ccc(CCNCc2cccc(COc3nn4cnnc4c4ccccc34)n2)cc1 26495383 BIJSBGFZBOFOLQ-UHFFFAOYSA-N 410.481 3.584 0 1 HHAF Cc1c(Cl)ccc2[nH]c(=O)n(C3CCN(C[C@H]4COc5ccccc5O4)CC3)c12 27899679 VGJOLHKNULCEME-INIZCTEOSA-N 413.905 3.768 0 1 HHAF CC(=O)Nc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1 28708331 LELXPYUUIHYFLJ-GRSHGNNSSA-N 401.426 3.623 0 1 HHAF COc1ccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)cc1 29320698 JGFWKVOZNOCRII-PBZQEHOFSA-N 422.562 3.552 0 1 HHAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCc1nnn[nH]1 29467987 ZWYMZEPNFDGEGR-KBJZFABTSA-N 408.546 3.983 0 1 HHAF CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C 38939622 GWCFQFRVXVHDEC-AWEZNQCLSA-N 420.517 3.510 0 1 HHAF Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(CCC(=O)O)c21 40423019 WLCGQIDCJUYXSX-UHFFFAOYSA-N 414.417 3.509 0 1 HHAF C/C(=C\CCO[P@@](=O)(O)OP(=O)(O)O)CCCCOCc1ccccc1 40609785 IGHJPLZZSFXYBW-OQLLNIDSSA-N 408.324 3.936 0 1 HHAF COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c(F)c2)c1 66080100 XCYPPUAPQPUXSG-GASCZTMLSA-N 420.506 3.753 0 1 HHAF Cc1ccc(-n2nc3c4cc(CCc5cccc(O)c5)ccc4nc(O)n3c2=O)cc1 66251813 AVGFGLGRFUHORW-UHFFFAOYSA-N 412.449 3.538 0 1 HHAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(C(=O)OC)cc2)NC(=O)N1 73313787 NSJAOWKXSFDGNL-LJQANCHMSA-N 400.475 3.615 0 1 HHAF CC1=C[C@@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)N=C(N)O1 148109509 MXRKIUCDUKPYOL-SFHVURJKSA-N 408.355 3.956 0 1 HHAF O=C(CCC(=O)c1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167328409 CEPLCJSFHRPNEK-UHFFFAOYSA-N 415.493 3.841 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc(OCC(F)F)ncc3C)C2)cc1 169709325 MMJMOUHXTDAXRD-KXBFYZLASA-N 419.472 3.889 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(N4CCCC4)c3F)C2)cc1 169709334 CUGVAGOIOXVIOU-OXJNMPFZSA-N 412.509 3.676 0 1 HHAF CN(CCCCCn1c(O)c2n(c1=O)Cc1ccccc1C2)CCc1ccccc1 169718936 NFURBBWBJDCEMW-UHFFFAOYSA-N 405.542 3.653 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@@H]1C(=O)OCC[Si](C)(C)C 195114726 WQFIZWCFRFXCPS-BTHPGYMESA-N 402.563 3.907 0 1 HHAF Cc1cn2cc(-c3cc4ccc(N5CCC(N(C)C)CC5)cc4oc3=O)nc2c(C)n1 221252814 DTPDNZIBLYXMFI-UHFFFAOYSA-N 417.513 3.650 0 1 HHAF CC(C)[C@H]1CC[C@H](Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2Cl)CC1 261098705 FVXCVAIWNVLXNW-JOCQHMNTSA-N 420.934 3.609 0 1 HHAF Cc1cnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 586950121 QLLJGFCDYVXRGD-UHFFFAOYSA-N 422.466 3.505 0 1 HHAF COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441796 IOYSRWKBPZBPDT-KOSHJBKYSA-N 424.449 3.718 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cc(F)ccc1F)CC2=O 587466643 NAEKNEHCVMKRHX-QFIPXVFZSA-N 418.392 3.616 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1nc3ccccc3n1C)CC2=O 587475266 KVHGANNWHLDGKV-HSZRJFAPSA-N 408.454 3.655 0 1 HHAF C[C@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517687 SELZGGHATLGODE-PUAOIOHZSA-N 419.477 3.884 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cccc2c31 587794066 SOOLGAZBVLSDLH-YBTHPKLGSA-N 401.279 3.659 0 1 HHAF CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796456 KGMFGEVCJYRNFV-SZEPBZDZSA-N 414.315 3.886 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(=O)(=O)c2ccccc2)N1 587850370 POSQAVGJUVKLCK-SGTLLEGYSA-N 412.324 3.812 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)c(=O)c2ccccc12 587872034 HKKZGTLZINZTJR-UHFFFAOYSA-N 406.417 3.506 0 1 HHAF O=C1C[C@@H](N2CCN=C2C2=C(O)/C(=C\c3ccccc3)CC2)C(=O)N1c1ccccc1 618016111 OIMOZUCERHCROB-WOBAJENOSA-N 413.477 3.722 0 1 HHAF CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(Cl)nc3)cc12 653905231 SLSCWAXFNNKIBG-UHFFFAOYSA-N 420.966 3.505 0 1 HHAF CC(C)NC(=O)CNc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1 1772600740 YAZYHAZJMWIQOR-UHFFFAOYSA-N 421.482 3.514 0 1 HHAF C[C@@H](C(=O)O)n1cc(-c2cccc3c2C(=O)c2ccccc2[C@]3(O)C(F)(F)F)cn1 1857541185 WCPRXVWWCVQOSC-PRWKNARSSA-N 416.355 3.538 0 1 HHAF COc1ccc(C(=O)N2CCC(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1 1857547144 QUDKNRIQFXQZKP-UHFFFAOYSA-N 407.470 3.675 0 1 HHAF CCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCOC)c2c1 1857584696 JNWRBNRSOVBCJJ-UHFFFAOYSA-N 407.474 3.699 0 1 HHAF O=C1[C@H]2C[C@@H](CN2Cc2ccc(F)c(F)c2)Oc2ccccc2N1Cc1cccnc1 2356299158 AAXSFYMKHZGEFY-PGRDOPGGSA-N 421.447 3.929 0 1 HHAF O=C1C[C@H](c2ccccc2)NCCCN(C(=O)C=Cc2ccccc2)CCC=CN1 2356589118 AORCSZCLPCSPAQ-HSZRJFAPSA-N 403.526 3.673 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)C[C@H](O)[C@@H](O)C(C)(C)O 2356665867 PWGFIVDGCMQGCD-NZQKXSOJSA-N 416.514 3.727 0 1 HHAF CC1(C)CCC(=O)N2CC[C@H]3C[C@H](OC(=O)Nc4ccc5c(c4)OCO5)C[C@@H]1[C@H]32 15935327 BJKBHPZNLBKZFC-NTNQKNOYSA-N 400.475 3.780 0 3 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@H]1CN3CCC[C@]3(O)C=C21 1632194 KKOZIXJFGMEJCY-DVECYGJZSA-N 409.482 3.667 0 1 HHAF biogenic COC(=O)[C@@H]1CCC[C@@H]2[C@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](OC(C)=O)[C@@]12C 6031389 IPBJLEBCIOWRHJ-AUWRRVHXSA-N 406.519 3.823 0 1 HHAF biogenic Cc1cccc(CN2CCC(NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)CC2)n1 13835825 FFERIMSSXPDFOU-RUZDIDTESA-N 407.558 3.549 0 1 HHAF CC(C)c1ccc2c(CNC(=O)CNC(=O)c3ccccc3)cc(C(=O)O)c-2cc1 29412951 VDTBOCPUUHVNLA-UHFFFAOYSA-N 404.466 3.659 0 1 HHAF Cc1oc(-c2ccco2)nc1CCC(=O)c1ccc(C[C@H]2SC(=O)NC2=O)cc1 29484743 CTGRCMLBXKRZHD-GOSISDBHSA-N 410.451 3.953 0 1 HHAF CC(C)N(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21 35860702 QJSUPMMHOXHUJT-QFIPXVFZSA-N 418.589 3.769 0 1 HHAF O=C(CNC(=O)c1ccc(F)cc1)NC[C@@H]1c2ccccc2COc2ccc(F)cc21 40918519 CRKSLOZUCXTFQG-OAQYLSRUSA-N 422.431 3.535 0 1 HHAF CCOC(=O)[C@@]1(C)CN(C(=O)CN(CC)CC)c2c(C)c(Cl)c(C)c(C)c2O1 40955961 FFCLUGPNQQGHCU-OAQYLSRUSA-N 410.942 3.654 0 1 HHAF COCCO[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O 49793220 HFRHOXTVZFXPQL-SFHVURJKSA-N 423.694 3.881 0 1 HHAF COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@H](C)O 72106683 BTHSZOZRVKMONR-JTIMHYRBSA-N 423.575 3.521 0 1 HHAF NC(=O)c1ccc2c(c1)OCCc1cc(-c3nnnn3-c3ccccc3Cl)sc1-2 95584669 SYPGHHRNCWLZDK-UHFFFAOYSA-N 423.885 3.745 0 1 HHAF Cc1ccc([C@@H]2CC(c3cccc(O)c3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 103183563 KKOUPHKKMPDVCY-QFIPXVFZSA-N 407.495 3.704 0 1 HHAF COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)SCCC3)cn1 103259156 LEMOEHOEJVTHCT-UHFFFAOYSA-N 408.483 3.956 0 1 HHAF CCc1ccc(-n2c(SC[C@H]3COc4ccccc4O3)nc3nncc-3c2O)cc1 103976824 FKEAKTQJWICWLU-MRXNPFEDSA-N 420.494 3.967 0 1 HHAF CCCOCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707225 NJNCQTLCMFBRAN-LJQANCHMSA-N 418.497 3.541 0 1 HHAF c1csc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)n1 299860595 GUTPGVLUDRSUIK-KRWDZBQOSA-N 404.499 3.664 0 1 HHAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 586953225 PXFZISIZKOOMMW-UHFFFAOYSA-N 411.527 3.792 0 1 HHAF COc1cc2c3c(c1)O[C@](COC(=O)c1ccccc1N)(c1ccccc1)[C@@H](C2)C3=O 587431509 GJJPMPALJFXFTB-UQBPGWFLSA-N 415.445 3.777 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O 587450088 DHDWPISGOIUUBV-UBMNLSNXSA-N 404.491 4.107 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCn1c(O)nc3cccc2c31 587585261 CXWLNODEGUWNEQ-FDDCHVKYSA-N 400.390 3.708 0 1 HHAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O 587791434 IKHFRRYBTUKGKJ-MLCYQJTMSA-N 424.266 3.684 0 1 HHAF COC(=O)c1c(N)sc2c1CCC[C@]21c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618007 CSLLQRCCJWWISX-IPQOISQHSA-N 416.543 3.590 0 1 HHAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038675 ZRYBHISMKDRQJW-YJENAZJFSA-N 418.537 3.799 0 1 HHAF COc1ccc([C@]2(c3ccccc3C(=O)O)NCCc3c(C(=O)O)cccc32)cc1 963135013 VMEYILFUCYHDRU-DEOSSOPVSA-N 403.434 3.529 0 1 HHAF Cc1cnn(C(=O)N2CCCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1 1857586199 XKLSOAPJFJAYIZ-UHFFFAOYSA-N 404.514 3.947 0 1 HHAF COc1cccc(-c2nn3c(COc4ccnc5cc(OC)ccc45)nnc3s2)c1 1857651912 XPKKOHJRSHNASB-UHFFFAOYSA-N 419.466 3.997 0 1 HHAF COCCCOc1cccc(C[S@](=O)c2nc3cc4c(cc3[nH]2)CCO4)c1C 1911570347 JYSIFLQJDVIWKM-NDEPHWFRSA-N 400.500 3.529 0 1 HHAF CC(=O)O[C@H]1C[C@@H](C(C)=CCC=C(C)C)[C@@H]([C@H]2C(=O)C[C@@H](OC(C)=O)[C@@H]2C)[C@H]1CO 2356444923 NZWVOVFKAOWSBT-PMIOEOJNSA-N 420.546 3.622 0 1 HHAF CC(=O)[C@H](O)[C@H](O)CC(C)=CCC[C@@H](C)C=CC=C(C)CCCC1=CC(=O)O[C@H]1O 2356500295 QWSRTOLIHWJYKS-FNECQJRHSA-N 420.546 3.524 0 1 HHAF CC(=CC[C@H](O)C(C)(C)O)CCC=C(C)CCOc1c(O)cc2c(c1O)COC2=O 2356738500 RPJDHRTUFGAQKI-IBGZPJMESA-N 420.502 3.732 0 1 HHAF O=C1COCc2cc(-c3cccc(CO)c3)ccc2N1Cc1ccc2c(c1)OCO2 205225169 QEWCAZTUQWXGBZ-UHFFFAOYSA-N 403.434 3.638 0 3 HHAF COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 770287 LLPZCLSGZMOUTQ-JTHBVZDNSA-N 419.481 3.762 0 1 HHAF CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O 3870489 VRAJWAGCJIXJHQ-YPMHNXCESA-N 422.254 3.959 0 1 HHAF in-vivo O=C1Nc2ccccc2[C@](O)(C(=O)N2CCCC2)N1c1ccc(Cl)c(Cl)c1 4672642 LXYPFJMSLAPGNU-IBGZPJMESA-N 406.269 3.813 0 1 HHAF CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)cc1 4759674 YJLQBDQPQIUHKW-NFHUAXAMSA-N 424.497 3.823 0 1 HHAF COc1ccccc1[C@H]1CN(CCNC(=O)c2cscn2)Cc2ccccc2O1 11815768 VIKXHOAKBXELFO-OAQYLSRUSA-N 409.511 3.517 0 1 HHAF COC(=O)C[C@@H]1C(=O)O[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@H]1COC(C)=O 14959873 PPHCXQBJUPKZTK-UVMURDMXSA-N 408.535 3.903 0 1 HHAF biogenic COCC[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14991584 HSALWFSLZPIPKQ-CVDCTZTESA-N 418.603 3.798 0 1 HHAF COc1ccc2c(n1)CC[C@@H](OC)[C@@]2(C)NCC1CCN(Cc2ccccc2)CC1 26983354 GEAUSXVZTKJMQR-NOZRDPDXSA-N 409.574 3.768 0 1 HHAF Nc1cc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(-c3ccco3)nn12 28369542 OLJHHRFEYYUGRS-OAHLLOKOSA-N 423.908 3.696 0 1 HHAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2cccc(C)n2)c1 29038822 YQJRHMKRLFALRU-UHFFFAOYSA-N 403.554 3.957 0 1 HHAF CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 40602262 KBRBDQUPSTVBGF-HDYLNDSGSA-N 420.553 3.875 0 1 HHAF COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@@H](CCCCC[C@H](C)OC(C)=O)O2 103275346 MQTUQRYXMJDNHJ-WMLDXEAASA-N 406.475 3.647 0 1 HHAF O=c1[nH]c2ccc(OCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1 199980111 NKDQNOFCLUVBIY-UHFFFAOYSA-N 421.328 3.754 0 1 HHAF COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4[C@@H](C)C(F)(F)F)n2)CC1 222728288 SPPAJTSZHAHTMB-LBPRGKRZSA-N 421.427 3.703 0 1 HHAF COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(C)(=O)=O)c1 224884624 LIJPVQZEFXCHRY-UHFFFAOYSA-N 424.478 3.603 0 1 HHAF Cc1ccc2[nH]c(=N)[nH]c(=NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1 474607985 KYWOLSUPNLRJLD-UHFFFAOYSA-N 401.445 3.776 0 1 HHAF CCn1cc(Br)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1 587000687 PJFJYXITTJJKMN-UHFFFAOYSA-N 409.597 3.546 0 1 HHAF Fc1ccc(-n2nnc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2C2CC2)cc1 587168253 HBVQAEDGXRQUOK-UHFFFAOYSA-N 418.476 3.659 0 1 HHAF Fc1cc(-c2nc3cccc(I)c3[nH]2)cc(N2CCCC2)n1 587177645 RQKPAFDPWMIYGK-UHFFFAOYSA-N 408.218 3.969 0 1 HHAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587224414 ILECIQFZYYHXRJ-UHFFFAOYSA-N 408.245 3.763 0 1 HHAF Cc1c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C 587336843 AXXCHRCDWAFLRB-NDVPHPNFSA-N 421.472 3.903 0 1 HHAF COC(=O)c1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349418 UPVQKMFSZNQIAI-XMSQKQJNSA-N 411.385 3.889 0 1 HHAF COc1ccccc1C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349513 IRIPGJFNGJMKFU-URXFXBBRSA-N 422.408 3.965 0 1 HHAF Cn1c(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549893 YTDHOHZGZVOXMN-RHSMWYFYSA-N 401.216 3.591 0 1 HHAF O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 587570640 OUGWCZXCIRBJAN-XXBNENTESA-N 420.348 3.749 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587736480 WACHIOKRQHHNOT-UGZDLDLSSA-N 422.225 3.866 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 587772698 GDVWHQVUXVGTAS-GIPWTMENSA-N 412.262 3.613 0 1 HHAF COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805451 FKWGRVVHYIFXFG-FKIZINRSSA-N 422.294 3.938 0 1 HHAF COC(=O)c1cc([C@]2(CC(C)C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c[nH]1 962628333 LUGWUXXYQKGZDN-NPMXOYFQSA-N 400.519 3.985 0 1 HHAF CCOC(=O)C[C@]1(CC2CCCC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962962973 IBKHPJOMMRWLDZ-YWZLYKJASA-N 415.864 3.946 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OCC1CCN(Cc3ccccc3)CC1)C2 1772656072 VOMHGBQVDNTLCX-NRFANRHFSA-N 423.509 3.514 0 1 HHAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)c(Cl)[nH]1 1857550610 QBQLBPWJWMEFDP-INIZCTEOSA-N 401.898 3.981 0 1 HHAF COc1cccc2c3c([nH]c12)[C@H](NCCCN=c1ccnc(NCC(C)C)[nH]1)CCC3 1857584835 ACBLBNVWICCWEQ-LJQANCHMSA-N 422.577 3.926 0 1 HHAF COc1cc(N2C(=O)CN(Cc3ccc(F)cc3Cl)C2=S)ccc1N(C)C 1857640578 AXHGNMYYRJYFMD-UHFFFAOYSA-N 407.898 3.687 0 1 HHAF C[C@H](O)CCCC=CCC=CCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O 2356383338 JPDHHIDMPUIHBY-VQTJNVASSA-N 424.582 3.606 0 1 HHAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@H]23)cc(OC)c1C 2356443674 UBVIKYYTVFHBGN-JFOHNERASA-N 416.470 3.810 0 1 HHAF CC(=CCO)CC[C@]1(C)[C@H](COC(=O)CCC(=O)O)[C@H](O)C[C@@]2(C)C(C)=CCC[C@H]12 2356522490 JDKUSIUPEUOZEW-JLSQMDRSSA-N 422.562 3.863 0 1 HHAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)Nc1ccsc1 2356837714 LMIKPUPDVJANLZ-CBQOVEMMSA-N 410.587 3.638 0 1 HHAF CCOC(=O)C[C@H]1c2ccc(C(F)(F)F)cc2S(=O)(=O)N1Cc1ccccc1 12478479 MDSTZHJPIVITSS-INIZCTEOSA-N 413.417 3.904 0 3 HHAF COc1ccc(CC(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cc1OC 12725638 YJTGNDIRZCDWLN-IBGZPJMESA-N 400.494 3.508 0 3 HHAF COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3c2ncn3C(C)C)cc1 582588 APJPLKQKJZATLB-QGZVFWFLSA-N 412.538 3.847 0 1 HHAF COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OCc3ccccc3)nc21 4238614 GCCBQBDBZBWJBR-UHFFFAOYSA-N 422.872 3.732 0 1 HHAF CC(C)O[C@]1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 13488592 ZKYGSXURZRZQTM-OAQYLSRUSA-N 404.459 3.838 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2nccc3ccccc23)CC1 13526206 VGJNZAVHANBHEO-UHFFFAOYSA-N 418.541 3.576 0 1 HHAF COc1cccc2c1N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 13803868 YNBAHNXGNMEGKH-UHFFFAOYSA-N 413.949 3.840 0 1 HHAF COc1ccc(C2=NN(CCCCn3ccnc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26505149 MUZUXIDORXRNNG-RTBURBONSA-N 410.518 3.733 0 1 HHAF COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1cc(OCCCN)ccc1-3 28008691 LSLYANBYOPUWES-UHFFFAOYSA-N 405.498 3.713 0 1 HHAF C[C@@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308675 NUSBNPJDZNYDIC-NEWSRXKRSA-N 417.571 3.760 0 1 HHAF CC(=O)N[C@H](c1ccccc1)[C@@H]1CCCN(CCNC(=O)c2c(C)cccc2C)C1 40861435 GZJVNXHQFXMSIH-ISKFKSNPSA-N 407.558 3.623 0 1 HHAF COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2c(O)cccc32)cc(OC)c1OC 71295464 IUPQLOOYBOVTLV-HXUWFJFHSA-N 419.433 3.940 0 1 HHAF CCNC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 72176362 NWYXNUNTGUOICU-IIBYNOLFSA-N 400.482 3.776 0 1 HHAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCC1CCCC1)CC3 82196048 PAOCWAMICLQMTE-UHFFFAOYSA-N 404.514 3.784 0 1 HHAF O=S(=O)(c1ccc(-c2cc([C@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)cc1)C(F)(F)F 101556247 XADIAGJQJVHXBU-BJJXKVORSA-N 400.397 3.789 0 1 HHAF C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1 203755712 AGZXCSVUZRAJTQ-CABCVRRESA-N 423.467 3.848 0 1 HHAF C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)CN1C(=O)c1cccc(Cl)c1Cl 474601971 AACREYRHBBEZTH-JTQLQIEISA-N 406.248 3.831 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccccc3C(=O)O)nc2c1 586882469 UTTWGGJYVXPZLC-SREVYHEPSA-N 401.216 3.981 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@@H]2CCCC[C@@H]21 586961629 SIGTTYCKSPEPTO-QEJZJMRPSA-N 417.922 3.701 0 1 HHAF Cc1ccnc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587333028 HGEUZXOPNYNJLZ-OFNKIYASSA-N 421.428 3.776 0 1 HHAF COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401098 VJFIWIFFCLJFGF-XMMPIXPASA-N 403.434 3.978 0 1 HHAF CCOC(=O)CC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587196 LQCWBSPQGOWWKR-XUZZJYLKSA-N 419.433 3.988 0 1 HHAF COc1ccc2[nH]c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587587830 PXJIHRLSDRRYCQ-NZQKXSOJSA-N 415.401 3.945 0 1 HHAF COc1cccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1 587652674 YJPJIRVWAFXRPA-UHFFFAOYSA-N 410.813 3.919 0 1 HHAF CNC(=O)[C@H](C)Oc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587745481 WGUQEANLMWXQHK-SYTFOFBDSA-N 421.310 3.725 0 1 HHAF CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1=O 587791632 MHJOUUXJKFIYHM-HDZZMESHSA-N 422.342 3.553 0 1 HHAF O=C(CN1c2cccc3cccc(c23)S1(=O)=O)n1nc2cc1Oc1ccc(F)cc1-2 587876128 LNDNIYZYJXTANN-UHFFFAOYSA-N 421.409 3.797 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@@](Cc2ccncn2)(c2ccc(F)cc2)N1)C(F)(F)F 962728590 FJVOTXIGWYIBAV-PZJWPPBQSA-N 415.390 3.748 0 1 HHAF Cc1cc(CN(C)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O 1772576365 PRCIPENVSRNOHS-SFHVURJKSA-N 422.525 3.651 0 1 HHAF CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccc(N4CCNCC4)c3)ncc21 1772622996 LOZGENZISGZHOI-UHFFFAOYSA-N 420.561 3.587 0 1 HHAF Cc1ccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 1772628108 HKJQOALDDUBRBV-LEWJYISDSA-N 400.469 3.926 0 1 HHAF O=c1nc(N2CCN(Cc3ccccc3)CC2)sc2ccc(C(F)(F)F)cc12 1772653004 QBKPSRRBSWKJMW-UHFFFAOYSA-N 405.445 3.998 0 1 HHAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cnc5ccccc5c4)c(=O)n1c23 1857581221 ZZRYFDDXYPYZLC-ZDUSSCGKSA-N 417.440 3.832 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N 771762 HTEPOLTXBFEVSQ-UNMCSNQZSA-N 405.454 3.669 0 1 HHAF Cc1cc(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)n1Cc1ccco1 18322464 GXCBLGBSNFXKLD-ISVJADKWSA-N 411.498 3.803 0 1 HHAF C[C@H](NC(=O)[C@]1([S@](C)=O)[C@H](C)C1(Cl)Cl)c1ccc(Br)cc1 33763948 VMASMYSTIDDLTO-FDBAZCRXSA-N 413.164 3.567 0 1 HHAF in-vivo CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@@H]3[C@H](Cc4occc4[C@@H]3C)[C@@]12C 34452110 IQFCUFCOJGKNJF-CNGGKPCVSA-N 418.530 3.996 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](O)[C@H](C)[C@H](C)C2 40391713 CWTKKMAJNZCARV-YRUZYCQGSA-N 402.443 3.675 0 1 HHAF CN1CCC[C@H]1CCNc1ncc(C(=O)NCc2ccccc2)c(NC2CCCC2)n1 45369901 DUECHGLMSZLVFC-FQEVSTJZSA-N 422.577 3.657 0 1 HHAF C[S@@](=O)c1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 66102138 NQXKIOZJPCCROR-DWACAAAGSA-N 411.910 3.927 0 1 HHAF COc1cccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)c1 70459611 XJXJCPZVOOFDPB-QFIPXVFZSA-N 407.495 3.698 0 1 HHAF CC(C)C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72103403 RHEYJKSCHZHNIQ-LJQANCHMSA-N 406.452 3.821 0 1 HHAF COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3cccs3)ncnc21 82190156 DWXWDIQHQTXXOA-UHFFFAOYSA-N 423.498 3.600 0 1 HHAF Cc1cc(C)n(-c2nc(NCC(F)(F)F)cc(N3CCc4ccccc4C3)n2)n1 103238111 MRGSDDIWDRKANT-UHFFFAOYSA-N 402.424 3.816 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@H]1c1c(C(F)(F)F)n[nH]c1C2 114844969 GIDDZCBUKLSXSR-GWCFXTLKSA-N 405.829 3.923 0 1 HHAF O=C(Nc1ccc(C2CCN(C[C@H]3CCOC3)CC2)cc1)N1Cc2ccncc2C1 166516026 YGAVZQJWDHDHGF-GOSISDBHSA-N 406.530 3.845 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 169688658 OEFDADDUKUVRTO-DLBZAZTESA-N 409.467 3.719 0 1 HHAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@@H]1c1cccc2c1OCCO2 299839472 RZSRKLMNFSWHRQ-CQSZACIVSA-N 412.389 3.512 0 1 HHAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586950256 SPCIQRYCGPYRDU-UHFFFAOYSA-N 405.479 3.756 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCOCC3)nc1OCC)CC2=O 587492172 BFCMRHBKWHPXMG-QGZVFWFLSA-N 418.515 3.743 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ncn2C)N1 587679074 FAUPXVZHVTVVHN-KRTXAFLBSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(NS(C)(=O)=O)cc2)N1 587840330 KHDPRDAWWZLDFJ-BTDLBPIBSA-N 413.312 3.583 0 1 HHAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@H](c1ncc(C)o1)N2C(=O)OC(C)(C)C 962711496 PKEZBCPXAOOSDH-VGOFRKELSA-N 416.449 3.863 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]12CCc1cc(F)c(F)cc12 963155966 ZOEUMKQKBPJQCU-QRWLVFNGSA-N 422.453 3.858 0 1 HHAF Cc1c(O)ccc2c1[C@H](c1cccc(Oc3ccc(Cl)nn3)c1)N[C@H](C(=O)O)C2 963550131 KHDPEVBOBROYHR-YWZLYKJASA-N 411.845 3.625 0 1 HHAF CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(C(F)(F)F)cc4)c(C)nc23)C1 1911572933 GZWSXOMWYVRVEQ-QGZVFWFLSA-N 417.435 3.747 0 1 HHAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)Oc3cc(O)c4c(c3C[C@@H]12)C[C@H](O)CC4=O 2356719176 PSTLLZRFPVSVAC-VMSQJVOUSA-N 412.526 3.997 0 1 HHAF COc1ccccc1CNC(=O)CSc1nnc2[nH]c3cc(C)cc(C)c3c2n1 3019802 HZEXCIGDVBBASS-UHFFFAOYSA-N 407.499 3.540 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)c1 4051594 AYKGCJJSZRZZTG-IWZNJAMVSA-N 410.514 3.700 0 1 HHAF COc1ccc(Cn2cnc3c2[C@H](OCc2cccc(C)c2)N(C)N(C)C=N3)cc1 13559517 KBYPHDBPQQXYGY-QHCPKHFHSA-N 405.502 3.916 0 1 HHAF Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCC(=O)c1ccccc1 26505075 KBUFGKGCDSMFBH-UHFFFAOYSA-N 403.507 3.838 0 1 HHAF N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccs4)CC3)C2=O)c1 26825367 ZQBIZNIEVSXBPJ-UHFFFAOYSA-N 411.575 3.719 0 1 HHAF COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(=O)(=O)c4cccs4)[C@@H]3C[C@@H]21 27749329 MZVXQNJDRFQWDS-AHRSYUTCSA-N 418.584 3.529 0 1 HHAF Cc1cc2c(cc1OCCCN1CCN(c3cccc4ccccc34)CC1)C(=O)NC2 64541039 RXMKGIMPRMJJBI-UHFFFAOYSA-N 415.537 3.983 0 1 HHAF CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187622 KETNBTUTTVRTAU-LJQANCHMSA-N 408.525 3.982 0 1 HHAF COc1ccccc1OCCNC[C@@H](O)COc1cccc2c1-c1ccccc1C2 96939620 YIQGJWJWWIQLJU-HXUWFJFHSA-N 405.494 3.675 0 1 HHAF C[C@@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 101120191 NPVRPJQNRSJGJS-VKPADZQRSA-N 404.554 3.872 0 1 HHAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224748979 OWRQSHXZOXYQRR-UHFFFAOYSA-N 400.479 3.609 0 1 HHAF CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 261090647 DLNOLRVJSOGNNN-JCNLHEQBSA-N 401.486 3.795 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 299878290 ITTVTGYJDJYVCJ-JFYQVNSESA-N 408.498 3.597 0 1 HHAF COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2cc1F 586955199 MKOGYMJGFFKQPG-UHFFFAOYSA-N 403.479 3.587 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 586971565 ZMRIPHDGTTYBQE-UHFFFAOYSA-N 412.559 3.726 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2nc3nonc3nc21 587487964 ZLDKUDISIDDLLO-JOCHJYFZSA-N 400.394 3.560 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)[C@@H]1CCCNC1 587591894 FLRBLRIAPRMVCD-YOJAFSQSSA-N 402.450 3.644 0 1 HHAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC 587749123 NEFUDZXAJXRJGZ-OVWNDWIMSA-N 409.299 3.985 0 1 HHAF CCNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587753182 GOPNIJIVJMGXRC-ODXCJYRJSA-N 421.310 3.727 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 587767971 SGVHDUFKBCHPEL-CWTRNNRKSA-N 408.315 3.557 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587854473 BXQYPNRHPGGNQM-WMCILZPCSA-N 423.307 3.663 0 1 HHAF O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12 653718361 QUXDETSLKYUNFO-IBGZPJMESA-N 407.901 3.648 0 1 HHAF COc1cccc([C@@]2(c3ccccc3F)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963023648 KJAUIXWTUJMIGS-OWJWWREXSA-N 403.457 3.575 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C2CCCCC2)NCCc2cc3cccc(OC)c3nc21 963062146 ZZMIMJGIGTWPAZ-XMMPIXPASA-N 410.514 3.687 0 1 HHAF COCCN[C@H]1CCc2c(sc3ncn(Cc4cccc5ccccc45)c(=O)c23)C1 1772580702 YBAIFABIYYGTHZ-SFHVURJKSA-N 419.550 3.753 0 1 HHAF Cc1cc2c(cc1N1Cc3cn(C)c(=O)cc3NC1=O)O[C@H](c1ncccc1F)CC2 1772593410 JEFODDXFNQEKAR-IBGZPJMESA-N 420.444 3.846 0 1 HHAF Cc1cc(F)c2[nH]cc(-c3ncc(F)c(=N[C@H]4C5CCC(CC5)[C@@H]4C(=O)O)[nH]3)c2c1 1857553281 DYNWXHJQRFGXRV-DFYNNNJYSA-N 412.440 3.935 0 1 HHAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccc5[nH]ccc5c4)c(=O)n1c23 1857589421 MEYXAOLBKLVODB-GFCCVEGCSA-N 405.429 3.765 0 1 HHAF COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1NC(=O)CN1CCOCC1 1857632802 YOXRQFCJHXUETO-UHFFFAOYSA-N 420.513 3.590 0 1 HHAF CCOC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc4cc(C)ccc4[nH]3)sc2c1 1911571503 GXCLJHBNCXVWJK-UHFFFAOYSA-N 422.466 3.840 0 1 HHAF CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758626 OFHHSDBMQAURDR-SFHVURJKSA-N 415.534 3.576 0 1 HHAF O=c1[nH]c2ccc(N3CCC(O)(Cc4ccccc4)CC3)nc2nc1-c1ccccc1 766688 DZBHLULIMDKHMZ-UHFFFAOYSA-N 412.493 3.559 0 1 HHAF CCCN1CCN(C(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)CC1 6895774 JGTWPSSDIKTEBO-HHHXNRCGSA-N 408.951 3.550 0 1 HHAF Cc1ccnc(N2CCN(C(=O)CCc3c(C)n4c5c(cccc35)CCC4)CC2)c1 13740409 ZHIDNYOFKGYDRD-UHFFFAOYSA-N 402.542 3.881 0 1 HHAF C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@@H](C)N1 13758888 GEPZFLWXFQXQJE-HZPDHXFCSA-N 405.477 3.801 0 1 HHAF COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 14971561 AGKAVQUKOATYJW-GCJKJVERSA-N 411.546 3.765 0 1 HHAF C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NCc2ccco2)C1=O 20212070 QVKROKVXUOPJFW-HNNXBMFYSA-N 421.884 3.822 0 1 HHAF C[C@@H](O)[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528317 MGSUIVHUDISMOK-MWTRTKDXSA-N 409.505 3.804 0 1 HHAF COc1ccc(Cl)cc1-c1cccn([C@@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O 36190507 ZXAORBJNVHWABO-UGKGYDQZSA-N 424.928 3.833 0 1 HHAF Nc1cccc(-c2nc3c(N4C[C@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)c1 40526178 OCNIDFGKJBFLQG-QUCCMNQESA-N 412.497 3.578 0 1 HHAF COc1ccc(CCNc2cc(Oc3cccc(NC(C)=O)c3)ncn2)cc1OC 82067632 XJPPDJIGLYGHCD-UHFFFAOYSA-N 408.458 3.899 0 1 HHAF COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCC(C)C)c2cc1OC 82128237 PNLWEVGCKLPFKK-IBGZPJMESA-N 410.518 3.885 0 1 HHAF O=C1N(Cc2ccccc2Cl)c2cccn2S(=O)(=O)N1Cc1ccccc1 96938784 BLETXVDUPUQIJE-UHFFFAOYSA-N 401.875 3.877 0 1 HHAF O=C(c1ccccc1Br)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116825023 GZIRHUBRAHLBCA-IFXJQAMLSA-N 423.314 3.743 0 1 HHAF N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3sccc23)n1 147028331 LNCTZERRFRCCLB-GOEBONIOSA-N 406.515 3.958 0 1 HHAF C[C@@H]1CCC[C@@H]1N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 148523898 QVRCOYUUCFEVFM-UWVAXJGDSA-N 400.544 3.606 0 1 HHAF Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)no1 169690151 LDWAOCOZTZLLCR-QZTJIDSGSA-N 406.419 3.947 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2Cc2ccccc2)c1 169707037 FJDCCTNXYTTWLE-FQEVSTJZSA-N 402.498 3.626 0 1 HHAF COc1cccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCOCC2)c1 201540711 JVYOOWKVFLYMEL-UHFFFAOYSA-N 418.902 3.566 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnc3ccccc3c2[nH]1 586936472 NFLZOLOAYVIEHX-KRWDZBQOSA-N 412.540 3.884 0 1 HHAF CCc1ccc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 586942563 XECNTPZBRWJNMU-UHFFFAOYSA-N 408.527 3.823 0 1 HHAF COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1OC 587002869 PEVOUCRVEGKYEU-UHFFFAOYSA-N 401.264 3.935 0 1 HHAF O=C(N[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587202179 GIJNWIPONLFJOM-AWEZNQCLSA-N 408.241 3.792 0 1 HHAF COc1ccc(C)cc1NCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587229306 VFXZRQSTZJSGNS-UHFFFAOYSA-N 405.502 3.680 0 1 HHAF CCOC(=O)[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566973 CQQOGLIPGDXWJT-WMZHIEFXSA-N 408.381 3.952 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1O 587589851 AWRQEQAQKJQWHD-OFNKIYASSA-N 408.406 3.992 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 587748369 WPSAOCAMHDVCJT-ZKANADHPSA-N 406.255 3.944 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2c1 587785893 PKGZQJJJERAAQW-UHFFFAOYSA-N 407.220 3.502 0 1 HHAF Nc1ncc(-c2cc(N3CCCOCC3)nc([C@@H]3CC[C@@H](F)C3)n2)cc1OC(F)F 653778382 DNHXPGQCEJOVGY-TZMCWYRMSA-N 423.439 3.555 0 1 HHAF CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962637396 ZSXRNXRXDQPFBF-AMXDTQDGSA-N 423.431 3.804 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2ncn3ccccc23)N1 962928371 YIKNFQIQPNUBQI-FPOVZHCZSA-N 401.422 3.521 0 1 HHAF CC(=O)Oc1cccc([C@]2(c3ccco3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963022325 IQEQQFKNCIZIMO-FYSMJZIKSA-N 402.450 3.550 0 1 HHAF CC(=O)Oc1cccc([C@@]2(c3ccccc3F)NCCc3c(C(=O)O)cccc32)c1 963125156 RYQGQFRULRBBQH-XMMPIXPASA-N 405.425 3.887 0 1 HHAF CC(=O)c1ccc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)nc1 1857568912 HRMXHDYCMZVVJV-UHFFFAOYSA-N 414.469 3.580 0 1 HHAF O=S1(=O)C[C@@H](O)c2c1ccc(Oc1cc(F)cc(Cl)c1)c2Br 1857748129 DXJVGIAJQSXAAS-SNVBAGLBSA-N 407.644 3.855 0 1 HHAF O=C1[C@H]2C[C@@H](CN2C(=O)Nc2ccccc2)Oc2ccccc2N1Cc1cccnc1 2356302220 OZVVVUPSKWHQGK-PZJWPPBQSA-N 414.465 3.682 0 1 HHAF CN(C)CCCN(CCCCNC(=O)c1ccccc1)C(=O)C=Cc1ccccc1 2356626372 VMZGZQGCIBFDJR-UHFFFAOYSA-N 407.558 3.690 0 1 HHAF CC1(C)C[C@@H](NC(=O)c2cccs2)[C@@]2(CCC(=O)NC3CC3)CC[C@](C)(O)C[C@@H]12 2356835903 KVJFIQLBEWFJNK-WKZKVMAPSA-N 418.603 3.873 0 1 HHAF O=C(NC1CCCCC1)[C@@H](c1ccco1)N(C(=O)c1csnn1)C1CCCC1 4388708 WALFUZZSSUWCOL-GOSISDBHSA-N 402.520 3.706 0 3 HHAF CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 61923085 WFAOUWSZJODSTB-FSSWDIPSSA-N 412.534 3.620 0 3 HHAF CCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O 2099907 SEJAVZDVCDAINV-XMSQKQJNSA-N 419.481 3.873 0 1 HHAF biogenic COc1ccccc1CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cncnc21 4238744 PLHBQFNQKOFFFI-UHFFFAOYSA-N 411.465 3.597 0 1 HHAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC(C)(C)O2 5070796 ATOFNQUDVDAMHB-RXVVDRJESA-N 412.530 3.588 0 1 HHAF COC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 13449300 NAOJWBQWHLDXAK-MAUKXSAKSA-N 413.345 3.554 0 1 HHAF COc1cc(/C=C/C(=O)OC[C@@]2(C)C=Cc3cc(C(C)=O)c(O)cc3O2)ccc1O 14508150 ZJVPLJKPUGZFOZ-NKOINVLESA-N 410.422 3.730 0 1 HHAF COc1cc(C2=NN(C(C)=O)[C@H](c3ccccc3C(F)(F)F)O2)cc(OC)c1OC 40822526 PEZMABSYMVQWSF-IBGZPJMESA-N 424.375 3.970 0 1 HHAF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2 49112762 GYDZFEKAOMUPJL-UHFFFAOYSA-N 412.453 3.611 0 1 HHAF CC(C)Oc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1 72178768 UZNIOGPVPVRLBZ-UHFFFAOYSA-N 401.595 3.933 0 1 HHAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82133031 SRNMCBCTZMWSQS-UHFFFAOYSA-N 416.525 3.951 0 1 HHAF COCCCNc1ncc(C(=O)NCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82154252 VMJKNUGVUKNERM-UHFFFAOYSA-N 420.513 3.635 0 1 HHAF Cc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccncc4)CC3)n2)c(C)c1 84668964 JQVMWUFUACBQBC-UHFFFAOYSA-N 418.549 3.594 0 1 HHAF Nc1noc2cccc(C(=O)Nc3cccc(CC(=O)Nc4cccc(F)c4)c3)c12 84730083 HMILTXGBKHOTFE-UHFFFAOYSA-N 404.401 3.983 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C 85907367 WQOZGNFAVRFSGE-BXQCIAFUSA-N 416.514 3.626 0 1 HHAF in-man C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccccc4)nc3n2)C[C@@H](C)O1 95586389 DHNYYLLBXSIDFH-OKZBNKHCSA-N 419.529 3.531 0 1 HHAF Cn1cc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1 103235689 HTBUQOXMBFBWIL-UHFFFAOYSA-N 402.458 3.717 0 1 HHAF CCOP(=O)(CCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1)OCC 103281599 YXVFBETXLPRUEX-UHFFFAOYSA-N 404.407 3.750 0 1 HHAF Cc1cccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 142111147 GOBJPRCTHVAYDE-GDBMZVCRSA-N 408.462 3.989 0 1 HHAF COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)Nc1ccccc1 169686024 OZUYGRMDAUIGGV-XQBPLPMBSA-N 421.497 3.598 0 1 HHAF CC(C)(C)CC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195357483 RHYRXROSVKTLCJ-XGDADJEPSA-N 423.553 3.642 0 1 HHAF C[C@H]1C(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1(C)C 221602602 YAVRAYWOWWNCNR-ZDUSSCGKSA-N 419.456 3.671 0 1 HHAF C[C@@H]1c2nnn(-c3ncco3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 225980487 LJGSPQRLZRPJDD-SECBINFHSA-N 411.771 3.687 0 1 HHAF N[C@H]1CC[C@H](Nc2ncc(Cl)c(-c3cccc(NCc4ccncc4)n3)n2)CC1 261106232 HLXPIJVVSYSLEA-WKILWMFISA-N 409.925 3.881 0 1 HHAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586943828 GUTTUUHCDJAWQY-UHFFFAOYSA-N 423.523 3.689 0 1 HHAF O=C1COc2cc3[nH]c(COc4ccc(Cl)cc4Br)nc3cc2N1 586976407 PRXJCRVKGOCYIW-UHFFFAOYSA-N 408.639 3.889 0 1 HHAF CCOC(=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372173 OFICDOYPENDNTH-LJQANCHMSA-N 404.260 3.764 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587448078 HPZIUGMPIALWAE-HTAPYJJXSA-N 409.463 3.531 0 1 HHAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587580220 RUQASGYKUMVATO-NFBKMPQASA-N 404.422 3.845 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc3c(cc12)OCO3 587606485 DFASBSRYVUAGHM-REWPJTCUSA-N 404.374 3.761 0 1 HHAF CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587775377 ZQACFGATZPQQBG-JEOXALJRSA-N 407.283 3.958 0 1 HHAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC 587806234 JGSGFKBVSQWFQV-HUTHGQBESA-N 424.266 3.927 0 1 HHAF CCC[C@]1(CC(=O)OCC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186587 VGPAQTYNSVDAJO-RHSMWYFYSA-N 407.816 3.906 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@H]2CC[C@H](O)CC2)cc1F 1772609541 RVDMLRAYMNKJCP-XYPYZODXSA-N 419.931 3.699 0 1 HHAF O=C(O)C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl 1857629857 BAPCMLMBUVRKTL-CQSZACIVSA-N 410.225 3.766 0 1 HHAF CN(C)CCN=c1[nH]c(-c2[nH]c3ccccc3c2Br)nc2ccccc12 1857747842 ZPAJJNPYFOHWPK-UHFFFAOYSA-N 410.319 3.936 0 1 HHAF Cn1c(CNC2(C)CCC2)cc2cc3c(cc21)CCCc1c-3nc(O)c(C(=O)O)c1O 1857754276 QRTJOKRJPXRETC-UHFFFAOYSA-N 421.497 3.871 0 1 HHAF CC=Cc1cc(OC)c(O[C@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356399670 DCPVFFYMNRUMSC-XCLFUZPHSA-N 404.459 3.961 0 1 HHAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@H]3CC(C)=CC[C@H](OC(C)=O)[C@](C)(O)[C@@H](O3)[C@@H]2[C@H]1C(C)C 2356409015 VXAZNVCCWPGZMQ-NQANDDEGSA-N 420.546 3.573 0 1 HHAF CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356645066 DNXLCKCNCYSVJX-GPXNEJASSA-N 400.563 3.966 0 1 HHAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 199214000 VMBCDTKDQALPTF-FQEVSTJZSA-N 415.419 3.778 0 3 HHAF COc1ccc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)c1OC 14648417 FPDSAFDZESQGFV-OAHLLOKOSA-N 414.454 3.991 0 1 HHAF biogenic C[C@]12CCCc3coc(c31)C(=O)c1cc3c(O)ccc(OS(=O)(=O)O)c3cc12 14885592 QKHYRHPZLGLSHG-HXUWFJFHSA-N 400.408 3.507 0 1 HHAF biogenic CC(C)(C)CC(=O)OC[C@]1(CO)C/C(=C/c2ccc(OC(F)(F)F)cc2)C(=O)O1 40835288 BKSWBUOCPLRYIZ-YXZIBZLCSA-N 416.392 3.626 0 1 HHAF CS(=O)(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 49803227 JYUNPCQNWMVFGH-YBEGLDIGSA-N 407.900 3.980 0 1 HHAF CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(C(C)=O)c1 71745235 DFTDYRAPHLCVAB-DEOSSOPVSA-N 419.481 3.607 0 1 HHAF biogenic COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1 72318441 VKFGWFYVUMXYFB-IAGOWNOFSA-N 412.452 3.575 0 1 HHAF COc1ccc(OC)c(CCNc2cncc(Oc3cccc(NC(C)=O)c3)n2)c1 82068524 WTNLHBMJYOOSJF-UHFFFAOYSA-N 408.458 3.899 0 1 HHAF CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2F)s1 82175634 SSZONWBWDJUUCG-UHFFFAOYSA-N 411.506 3.637 0 1 HHAF CC[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207314 PSHNNCNEHWXXJM-IBGZPJMESA-N 416.481 3.621 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)N[C@@]21C 95601439 ZSBNLNNPRQDIEV-KIHIVPLQSA-N 405.579 3.986 0 1 HHAF CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1NC(=O)[C@@H](c3ccccc3)[C@@H]1c1ccccc1)OC2=O 100243337 LNKFTZROFCFJOY-CWGXUGAXSA-N 418.493 3.507 0 1 HHAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3cc(F)cc(F)c3)CC2)n1 101297039 XFFQLUJBNRFDLQ-PPUGGXLSSA-N 403.477 3.530 0 1 HHAF CC(C)C[C@H]1C(=O)N[C@@H](c2cc[nH]c2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103264348 ZFJKIFLRWNRHRY-MOPGFXCFSA-N 410.449 3.537 0 1 HHAF Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(F)c1 116936070 DICRWYNNWVSVOE-UHFFFAOYSA-N 400.417 3.624 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCOCC2(C)C)cn1 142329550 MFASBMRWZUFPGR-UHFFFAOYSA-N 407.470 3.875 0 1 HHAF CC[C@@H](CO)Nc1nccc(-c2ccn([C@H](C)c3ccc(Cl)c(F)c3)c(=O)c2)n1 144874622 VRSWMZNGLRKWNW-CJNGLKHVSA-N 416.884 3.890 0 1 HHAF CCc1nn(Cc2ccc(-c3nc4cccnc4[nH]3)cc2F)c(CC)c1CC(=O)O 147548746 PIHJHYSYQNYJKW-UHFFFAOYSA-N 407.449 3.761 0 1 HHAF COc1ncccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 215516372 NMZNQSJDCUYQOD-UHFFFAOYSA-N 416.459 3.702 0 1 HHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 586921103 CJICISRYFUSUJX-UHFFFAOYSA-N 406.511 3.779 0 1 HHAF COc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1OC 586980543 WSFWGODPSNCNDX-UHFFFAOYSA-N 421.247 3.743 0 1 HHAF O=S(=O)(c1ncccc1-c1nc2c(Br)cccc2[nH]1)C(F)(F)F 587127582 XTEHYSMLBGZFHX-UHFFFAOYSA-N 406.183 3.681 0 1 HHAF COc1ccc([C@@]2(CCC(=O)CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402521 FAAUDTBZOFGZIU-HSZRJFAPSA-N 411.454 3.661 0 1 HHAF CCOC(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590383 ZRNVGBMUWUNAGD-NFBKMPQASA-N 405.406 3.598 0 1 HHAF CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832791 CXVORFWHCDPKGV-HXPMCKFVSA-N 414.315 3.698 0 1 HHAF Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 587838227 MWYMKEKUAKBBOE-AJPKGMEUSA-N 418.262 3.890 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCc1cccs1 587869555 MIMOAOKUEDXROP-UHFFFAOYSA-N 412.462 3.999 0 1 HHAF O=c1oc2ccc(Br)cc2c(=O)n1-c1ccc(Br)cc1F 653834967 LZHBVNDEKDYBCT-UHFFFAOYSA-N 415.012 3.608 0 1 HHAF Cn1nccc1-c1ccccc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962697676 LTVRQYHZJPQEDI-PKOBYXMFSA-N 419.378 3.933 0 1 HHAF CC[C@@]1(C2(C(=O)OC)CCC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182804 POPUICACBZBLPI-KBXCAEBGSA-N 419.827 3.906 0 1 HHAF COc1ccc(-c2ccc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1F 1772617788 LACPIGJJDJXXKU-UHFFFAOYSA-N 410.405 3.632 0 1 HHAF COc1ncnc2scc(C(=O)NCc3ccc(CNCc4ccccc4)cc3)c12 1857608591 YAZAQLHNEIJYIG-UHFFFAOYSA-N 418.522 3.920 0 1 HHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](Cc5ccc(=N)[nH]c5)C4)(C[C@@](N)(CCO)[C@H]31)O2 2356297805 YMAGGZDWBUAIJN-XIOKWSFLSA-N 413.606 3.661 0 1 HHAF COc1cc(C(=O)O[C@@H]2CC[C@](C)(O)CCCC(C)(C)[C@@H](O)C=C2C)ccc1O 2356677236 LIYLUZKKDZZNBL-QMHWCDLVSA-N 406.519 3.975 0 1 HHAF O=C(NC1CC1)C1=C[C@@H](c2c[nH]c3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 13657329 RGPAKECLYCCPHA-KOSHJBKYSA-N 418.493 3.870 0 3 HHAF COc1ccc(OC)c(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)C)c1 11971291 IOHLKFUQGRKGIH-UXHICEINSA-N 418.534 3.666 0 1 HHAF COCC[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14991580 HSALWFSLZPIPKQ-WMZHIEFXSA-N 418.603 3.798 0 1 HHAF COc1ccc(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c(OC)c1 16031182 FDBOBZTVBOSVDH-GOSISDBHSA-N 405.454 3.814 0 1 HHAF biogenic O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)c3ccc4c(c3)OCO4)[C@H](O)C[C@H]2C1 26158631 MEOIIKOGHGNDTH-NITJEUDFSA-N 400.471 3.593 0 1 HHAF Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)cc2N)cc1 26380494 KWCHGZMAUJVZOW-UHFFFAOYSA-N 419.510 3.813 0 1 HHAF COc1ccc(CCCCOC(=O)[C@H]2CCCCN2C(=O)C(=O)C(C)(C)C)cc1 29470261 URPBTVKRTSDIFK-LJQANCHMSA-N 403.519 3.557 0 1 HHAF CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(Cl)c(Cl)c1 36400932 ZUCOHROUXWRQLI-UHFFFAOYSA-N 400.312 3.675 0 1 HHAF COc1ccc(N(C(C)=O)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1 40845879 XYAZHOGSJDVHKT-JOCHJYFZSA-N 414.477 3.996 0 1 HHAF CN(C)C(=O)Oc1ccc(-c2cn3c(NC(=O)c4ccccc4)cccc3[n+]2C)cc1 49036561 ILWJGIVYOJVMLT-UHFFFAOYSA-O 415.473 3.744 0 1 HHAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 72175857 PEUXWSARWNDXOQ-UZLBHIALSA-N 418.946 3.809 0 1 HHAF C[C@@H]1C/C=C\C[C@H](c2ccc3c(c2)OCO3)NC(=O)[C@@H](c2ccccc2)CC(=O)N1 95663008 HVIIOAJZRGDWQM-UCTBOGIRSA-N 406.482 3.601 0 1 HHAF Cc1nc2ccnc(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2[nH]1 114345017 FNFNFQPDKWQWMU-UHFFFAOYSA-N 424.468 3.664 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@]34CNC(=O)[C@H]3C4)nn2-c2ccccc2)c1 143737935 FBDBCWULQGGMTC-NTKDMRAZSA-N 400.482 3.566 0 1 HHAF Cc1cc2nc(NC3CC3)c(N3CCC(Cn4cc(Cl)ccc4=O)CC3)nc2cn1 144341443 HCKHIDZTZVVYHI-UHFFFAOYSA-N 424.936 3.639 0 1 HHAF CC(=O)N(C)Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1 147813958 CHFCIYAPEFNWQQ-IIBYNOLFSA-N 417.509 3.784 0 1 HHAF NC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCCC3=O)cc2)ncc1Cl 169322414 DXAACKOYNNQYHC-UHFFFAOYSA-N 422.876 3.843 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299874951 CFQIMGCYJGHZIT-YOVFKVCWSA-N 410.514 3.700 0 1 HHAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 299875903 DSBLOZMBPHVCER-YNJGCUIUSA-N 400.906 3.955 0 1 HHAF COc1cc2c3c(c1)OC1(CCN(c4ncccc4C(F)(F)F)CC1)[C@@H](C2)C3=O 587422212 SLBZCQDYOPCKRQ-HNNXBMFYSA-N 404.388 3.896 0 1 HHAF COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445106 WWGSJXOCTZTWQC-CJFMBICVSA-N 416.429 3.879 0 1 HHAF O=C(O)[C@@H]1C[C@@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606763 GBTCOOBVWRBBPR-JJLPPOTMSA-N 402.402 3.970 0 1 HHAF CCn1cc(Cl)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655432 HFYLNXGFVSLBSC-UHFFFAOYSA-N 414.799 3.900 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COC(=O)c2ccccc2N)N1 587745438 FRLQSZJRUTUTAP-WLRWDXFRSA-N 407.283 3.777 0 1 HHAF COc1ccc(Cl)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868360 LNBJVLZJJYUARQ-UHFFFAOYSA-N 412.755 3.718 0 1 HHAF COC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)c1 587868454 LNUWIYWDJMJCBA-UHFFFAOYSA-N 407.348 3.757 0 1 HHAF CCC[C@H](C(=O)OCC)[C@]1(C(=O)OCC)c2cc(OC)ccc2CCN1C(C)C 962092062 OXEFMPZKUAVCKZ-AUSIDOKSSA-N 405.535 3.700 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)NC21CC2(CN(C(=O)OCc3ccccc3)C2)C1 963614806 YVRLBAISHHAJQB-KRWDZBQOSA-N 422.525 3.866 0 1 HHAF CC[C@@H](C)SN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 1772652965 LGGHPOBVPAZPLZ-CYBMUJFWSA-N 419.522 3.742 0 1 HHAF COc1ccc(Nc2nc3cc(Oc4ncnc5c4cnn5C)ccc3n2C)cc1 1857634414 BCKTZGUDDOOVSO-UHFFFAOYSA-N 401.430 3.795 0 1 HHAF COc1cc(OC)c2c(=O)cc(C(=O)Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1 1857647997 QKYWLQYNSNJMOF-UHFFFAOYSA-N 417.421 3.985 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)OC3=CC(=O)O[C@]4(C)CC(=O)O[C@]34C[C@H]2C[C@H]1O 2356728306 FWDUNYAYYMYOQL-CVEYUPAISA-N 416.514 3.740 0 1 HHAF COc1cccc2nc(C[C@@H]3CN(C(=O)C4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356743486 GHSXIQMNOPGDKZ-IAGOWNOFSA-N 413.518 3.634 0 1 HHAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)(O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356791353 IOGWPIQCBSCWQJ-FADJSHPCSA-N 408.579 3.798 0 1 HHAF CC(C)c1ccc(SCc2noc(C(=O)NC[C@H]3CCCO3)c2C(=O)O)cc1 8672423 PQFOACBWSDJNEU-CQSZACIVSA-N 404.488 3.697 0 3 HHAF CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 1548890 RMDYOOKUYKPFTH-UHFFFAOYSA-N 412.461 3.827 0 1 HHAF Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccncc2)c(C)c1 11838714 LBKIFVQDEFGMLV-JOCHJYFZSA-N 405.542 3.690 0 1 HHAF O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 13586758 DFZNXCBJEKLXMV-HNNXBMFYSA-N 407.297 3.655 0 1 HHAF C=C1c2ccoc2C[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@]1(O)C(C)(C)CC[C@@H](OC(C)=O)[C@@]21C 14884212 VBDNBIGLCTYMIY-GKEFSKIYSA-N 416.514 3.906 0 1 HHAF biogenic CCCN1CCN(CCCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1 22795488 AXMAPISPVSITBA-UHFFFAOYSA-N 424.614 3.904 0 1 HHAF CC[C@H](OCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)O 26659733 ZYCDTLDJCVKZJG-FCHUYYIVSA-N 416.949 3.927 0 1 HHAF CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OCCOCc1ccccc1 27108193 WYDKBAJLSXXPOM-UHFFFAOYSA-N 406.530 3.952 0 1 HHAF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](O)c2cccs2)CC1 27977526 LAAQBWCPQOZHMW-LJQANCHMSA-N 402.560 3.706 0 1 HHAF COc1ccc(/N=c2\scc(CC(=O)Nc3ccc(Cl)cc3)n2CCO)cc1 29124577 TYZZJFKJSSXJCC-ATJXCDBQSA-N 417.918 3.618 0 1 HHAF N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]2C1 49116460 XBHGTEQGRIWAQJ-MVBJNABHSA-N 413.873 3.807 0 1 HHAF CCOc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc1OCC 95582493 HKJHQJOZNWGNJQ-ZWKOTPCHSA-N 400.471 3.773 0 1 HHAF COc1cc2c(cc1OC)CN(Cc1ccc(Oc3ccc(C(N)=O)cn3)cc1)CC2 95591366 UKVIVARPCXMWDH-UHFFFAOYSA-N 419.481 3.548 0 1 HHAF CC(=O)N1CCC(c2cc(F)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168868 CKGSTLMHWLCQCX-UHFFFAOYSA-N 420.488 3.762 0 1 HHAF COc1cc2nc(Sc3cnc(N)s3)n(-c3ccccc3)c(=O)c2cc1OC 96258053 YSMFZZMOCGSFSZ-UHFFFAOYSA-N 412.496 3.593 0 1 HHAF O=C(c1cccc(N(CCCO)Cc2ccccc2)c1)N1CCc2ccc(O)cc2C1 103301241 VZGMWTFIHZGXCM-UHFFFAOYSA-N 416.521 3.980 0 1 HHAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3C[C@@H](N3CC3)[C@@H]2C(C)=O)C1 169332127 WRCFYFRXAYMSAE-PGVYQBHQSA-N 415.574 3.639 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(Br)c(Br)c2)C[C@@H]2CC[C@@H]1N2C 169359476 UWYWQPVLTBLACL-JLUCKKNBSA-N 417.141 3.951 0 1 HHAF N#C[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1 219305936 PZGCLZNIYNHOLQ-LJQANCHMSA-N 422.895 3.905 0 1 HHAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(C(F)(F)F)CC4)ccc23)cn1 221609640 VZDSEFUNSQKPKU-UHFFFAOYSA-N 417.435 3.509 0 1 HHAF N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc-2c(Cl)[nH]1 587028484 YKOOJEJLIPQXBX-AVGNSLFASA-N 416.938 3.507 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)OCCCO3)C(F)(F)F 587091491 DTVBXPUXLBVHDT-IBGZPJMESA-N 407.392 3.888 0 1 HHAF COc1ccc(C)cc1NCCCc1nc2cc(I)cnc2[nH]1 587228328 BDDIOUQSQRHMOB-UHFFFAOYSA-N 422.270 3.924 0 1 HHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 587247432 RSJWEVWBGLSRDH-QGZVFWFLSA-N 412.362 3.964 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)O2 587390084 NQBWUKXCPIOMQX-IYZJPORESA-N 415.534 3.804 0 1 HHAF CCN(CC)C(=O)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426643 AMEJBOXFGWCZEW-DVECYGJZSA-N 409.482 3.605 0 1 HHAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962769532 SDGOBTFEGGAIGJ-DHUIEDIVSA-N 405.416 3.775 0 1 HHAF CCC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962897837 NNKFJUDZBCPPIG-ICSRJNTNSA-N 420.278 3.800 0 1 HHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OC)c(OCC(N)=O)cc2Cl)N1 962959787 QQWSWBPRCPTMHR-AMXDTQDGSA-N 413.905 3.708 0 1 HHAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965632 LKVGSLXRIWHTGM-VWKPWSFCSA-N 423.843 3.779 0 1 HHAF CCC(=O)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857609280 OIGCPJQFJJKDPO-UHFFFAOYSA-N 414.556 3.525 0 1 HHAF COc1ccc2nc(CO[C@@H]3CN(Cc4cn(C)c5ccccc45)C[C@@H]3F)[nH]c2c1 2356299934 QTWWQCCDBRESBK-PGRDOPGGSA-N 408.477 3.802 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2ccncc2F)CC[C@]1(C)O 2356700194 BNYSVEDNJHIKLD-VWPQPMDRSA-N 419.566 3.901 0 1 HHAF COC(=O)CN1Cc2c(ccc([C@]3(C)CCCC(C)(C)C3)c2[C@@H](C)C(=O)O)C1=O 2356787513 BLMWJDYVYQGMIM-QKFKETGDSA-N 401.503 3.861 0 1 HHAF O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 774886 VFLJJYDORDVHGN-HNNXBMFYSA-N 422.868 3.898 0 1 HHAF COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(O)cc2oc(=O)cc(OC)c2c1C 13437032 SDIIWOICLXDNES-UHFFFAOYSA-N 424.405 3.915 0 1 HHAF biogenic O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3cccc(Cl)c3)CC2)o1 26375996 SZPHVEWNGAHVKS-UHFFFAOYSA-N 401.869 3.792 0 1 HHAF CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN([C@@H](C)c2ccccc2)CCO1 27707454 IRUPSXMYBVDTMY-RDJZCZTQSA-N 417.937 3.513 0 1 HHAF C[C@H]1C(SCc2ccccn2)=C(C(=O)O)N2C(=O)[C@H](/C=C/CNc3ccccc3)[C@@H]12 28016214 CWYZQRCZRZEXNH-MFOXVYJHSA-N 421.522 3.756 0 1 HHAF COc1ccc([C@@H](CCC[C@@H](O)CCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 28132569 LPDONRQJLDDGHH-FXAWDEMLSA-N 413.518 3.566 0 1 HHAF Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc1CC2 40898504 YBQNVMGRJKHJTA-UHFFFAOYSA-N 419.504 3.664 0 1 HHAF CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(CC)n1 82071609 BURXAXGXJXOIPB-INIZCTEOSA-N 405.589 3.654 0 1 HHAF COc1cc2nc(N3CCC(O)CC3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82126089 SIVHOJCDOPGJTP-MRXNPFEDSA-N 422.529 3.824 0 1 HHAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccccc2F)C1 82151802 JOTVLIMQDXLJMN-HOTGVXAUSA-N 400.498 3.992 0 1 HHAF Cn1c(CNCCc2nc(C(=O)N3Cc4ccccc4C3)cs2)nc2ccccc21 84687321 XUUTVDRTHLBZIH-UHFFFAOYSA-N 417.538 3.518 0 1 HHAF CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@@H]1CO 95569831 YTRWLKBZDOOEIO-FGCOXFRFSA-N 417.484 3.902 0 1 HHAF Cc1ccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)cc1 95579934 DCJMOQRILWZFOE-CYBMUJFWSA-N 422.876 3.510 0 1 HHAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(O)cc5)cc34)cn2)CC1 96274081 QZUXSJFGHNXNFE-UHFFFAOYSA-N 417.469 3.830 0 1 HHAF O=C(c1cccc(F)c1)c1ccc(F)cc1/C=C\OCCN1CCC[C@H](C(=O)O)C1 96923631 IWCMUJAARSRKPV-YFWYWMRJSA-N 415.436 3.980 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O[C@H](C)CN(C)C)cc1 96932213 AYZGFAJCOVMXLA-KITIHOALSA-N 421.541 3.894 0 1 HHAF Cc1ccc(N2C(=S)N[C@@H]3c4cc(Cl)ccc4O[C@]2(C)[C@@H]3C(=O)N(C)C)cc1 100584632 FMPQCKISLAKUSP-WAOWUJCRSA-N 415.946 3.897 0 1 HHAF Cc1noc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)n1 115834057 LMAXNMCABVPYQS-UHFFFAOYSA-N 410.437 3.913 0 1 HHAF Cc1c(Cc2ccc(=O)n(Cc3ccccc3F)n2)c2cc(F)ccc2n1CC(=O)O 117015570 WWJPBZDHDXCGQJ-UHFFFAOYSA-N 423.419 3.508 0 1 HHAF COc1c(F)ccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167048864 UQEFMALRFXBSNN-LSDHHAIUSA-N 417.330 3.707 0 1 HHAF CCCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707017 HSILTNCJWLYUHX-QGZVFWFLSA-N 406.461 3.706 0 1 HHAF Cc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 202175111 MFLWIZTZAJPUTF-UHFFFAOYSA-N 416.437 3.883 0 1 HHAF CNC(=O)c1cccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219765818 LOVHZXXVPOUGHV-DEOSSOPVSA-N 416.521 3.511 0 1 HHAF CCCCCCC(=O)OCC(=O)NC[C@@H]1[C@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@H]1O2 253930781 YTRZQPXCORQEIS-TWKOICOYSA-N 423.550 3.611 0 1 HHAF O=S(=O)(NCCCCN1CC[C@H]2CCCC[C@H]2C1)c1cccc2cccnc12 254119901 MGDLYQHKHDZOSQ-QUCCMNQESA-N 401.576 3.805 0 1 HHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1 586935068 GFINISSCZDHNJJ-SNVBAGLBSA-N 423.336 3.773 0 1 HHAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586951205 KUBFCPJIUAUTPF-UHFFFAOYSA-N 412.496 3.597 0 1 HHAF CN(C)C(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587568665 COJYADFAECOTRT-XUZZJYLKSA-N 419.433 3.562 0 1 HHAF CN1CCN(c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 587593535 KDHVLRKKPAHTAC-RCZVLFRGSA-N 416.477 3.847 0 1 HHAF O=C(c1cc(-c2ccco2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662159 VWJACSPAXVWADD-UHFFFAOYSA-N 400.369 3.874 0 1 HHAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(O)nc(N)nc2[nH]1 587949489 UXJQNRLFFDKPSH-DVOMOZLQSA-N 409.490 3.925 0 1 HHAF COC(=O)[C@]1(c2c[nH]c3cc(F)ccc23)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962563407 GFXSRGCGXUXRNC-ZLOXQWCVSA-N 412.461 3.617 0 1 HHAF COc1cc2c(cc1OC)[C@@](CC(C)=O)(c1cccc(NC(C)=O)c1)N(C)[C@H](C)C2 962576268 WRWBQWUTNJYVBG-OYLFLEFRSA-N 410.514 3.761 0 1 HHAF O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772624685 RHFNSFFZPAQBDW-UHFFFAOYSA-N 414.391 3.644 0 1 HHAF O=S(=O)(c1ccc(F)cc1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 1772625038 OSIZOXIPQSYSTR-UHFFFAOYSA-N 406.866 3.697 0 1 HHAF COc1cc(/C=C/C(=O)OC/C=C/c2cc(OC)c(OC)cc2OC)cc(OC)c1 1857595535 CKKVUFOZYXMPNV-BLHCBFLLSA-N 414.454 3.999 0 1 HHAF Cc1ccc(Nc2nnc(Cn3nc(N)c4ccc(C(F)(F)F)nc43)s2)cc1 1857597986 FGQHYLWWENHATN-UHFFFAOYSA-N 405.409 3.984 0 1 HHAF CO[C@@H]1OC(=O)C=C1[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356348919 LBQAJSQYOAWBOD-ULDGHZBZSA-N 404.547 3.577 0 1 HHAF CCCC(=O)O[C@H]1[C@@H]2[C@H]3C=C(C)[C@@H](O)CC[C@@]4(C)OC[C@@H](C)[C@@H](C[C@H]1C)[C@H]2[C@@H]4O3 2356789841 DTZQQIJZAUNNON-VRTFRBSBSA-N 406.563 3.880 0 1 HHAF CC[C@H](C)N(C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O)[C@H](C)CC 201441915 WFCDTQBYLOJDFT-HDICACEKSA-N 406.530 3.808 0 3 HHAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(OC)cc2)c2ccc(OC)cc21 206033351 DTDJGLCZMCMMFD-JOCHJYFZSA-N 420.465 3.818 0 3 HHAF COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 28817402 VVTIALJSEAYKBI-RBBKRZOGSA-N 422.481 3.542 0 1 HHAF CCCCOc1c(O)ccc2c1[C@@]13CCN(CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 36221218 NDMQGMHZJUILQN-GVXSCFBNSA-N 413.558 3.988 0 1 HHAF Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@@H](CO)c2ccccc2)c1 45258156 PFHKAGAZRDERTK-NRFANRHFSA-N 413.481 3.987 0 1 HHAF COc1ccc([C@H]2CC(c3ccccc3)=NN2c2cccc(S(N)(=O)=O)c2)cc1 70459638 ZVVLYUFOZIMPAP-JOCHJYFZSA-N 407.495 3.698 0 1 HHAF CCN1CC2=C(NC(=S)N[C@@H]2c2ccccc2OC)/C(=C/c2ccccc2OC)C1 96282929 MXMHHGBTBKYBAD-GNBRFLJNSA-N 421.566 3.896 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)cc(O)c31)[C@@H]1CC[C@@H](C2)N1 100633318 CSWWUSLTFBDNLZ-LRDDRELGSA-N 402.903 3.719 0 1 HHAF NS(=O)(=O)c1ccc(Nc2ccc3c(C(=O)O)cc(-c4ccccc4)nc3c2)cc1 103292338 POKIJTCCVMDUFM-UHFFFAOYSA-N 419.462 3.991 0 1 HHAF Cc1nnc(Nc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)s1 114808394 HTHLEEXXMNUPLU-UHFFFAOYSA-N 403.514 3.665 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cnc3[nH]2)C(F)(F)C1 587132430 QHXBLBGMHNTRIT-SECBINFHSA-N 403.227 3.690 0 1 HHAF Oc1c(F)cc(F)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 587134637 SGYACOWYYULDMW-UHFFFAOYSA-N 407.545 3.867 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(OC)c1)CC2=O 587481855 IGAWTRZQRCOFFA-BUXKBTBVSA-N 400.427 3.912 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(OC)c1)CC2=O 587481857 IGAWTRZQRCOFFA-CWTRNNRKSA-N 400.427 3.912 0 1 HHAF CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576641 PELUVYSLCWGLSF-FDDCHVKYSA-N 423.421 3.930 0 1 HHAF CCn1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587581183 KLFBVBCNXCSHBW-QCDIQLFPSA-N 405.454 3.541 0 1 HHAF CCOC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588552 RATDBZWFJIFSJX-XXBNENTESA-N 405.406 3.841 0 1 HHAF CN1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587596550 RRAKOJGSMRUDBI-DHLKQENFSA-N 416.477 3.847 0 1 HHAF CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962927545 WCJZITWKKNYSQB-DVECYGJZSA-N 415.578 3.787 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(Cn3ccnc3)cc2)N1 962974986 XDPIOXMGPAXFBB-QFBILLFUSA-N 403.816 3.551 0 1 HHAF COc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(F)cc4)CC3)n2)cc1 1857638039 BGAUVGOVXXKMHB-UHFFFAOYSA-N 421.476 3.767 0 1 HHAF CCc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 13596523 PUPZJKCECXRUAU-FQEVSTJZSA-N 410.562 3.578 0 3 HHAF Cc1ccc([C@@H]2C=C(c3ccc(I)cc3)N=C3NC=NN32)cc1 2916270 NHQIOQWPXVSPEB-KRWDZBQOSA-N 414.250 3.900 0 1 HHAF O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1 4238216 ZWHSJOYDAPQRPF-GOSISDBHSA-N 418.428 3.964 0 1 HHAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)cc3)c21 9673102 HENWEZFOKAXARO-UHFFFAOYSA-N 423.332 3.857 0 1 HHAF O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1 13610382 LDPMPCNDVKFVIW-UHFFFAOYSA-N 403.486 3.547 0 1 HHAF Clc1cccc(Nc2cncc(-c3cncc(NCCCN4CCNCC4)c3)n2)c1 22933855 DERTUZZNGDWMOY-UHFFFAOYSA-N 423.952 3.643 0 1 HHAF COC(=O)[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)OC(C)C 26248360 QYYYYUVTIHIGOO-NRFANRHFSA-N 412.486 3.852 0 1 HHAF O=c1[nH]c2cccc(Cl)c2n1C1CCN(C[C@@H]2COc3ccc(F)cc3O2)CC1 27898181 VTHYXURDPLRGMQ-OAHLLOKOSA-N 417.868 3.599 0 1 HHAF COc1nc(Br)cnc1NS(=O)(=O)c1ccccc1-c1ccccc1 29206956 BOJJKQYBPRXVFI-UHFFFAOYSA-N 420.288 3.716 0 1 HHAF O=C(Cc1ccccc1)O[C@@H](COCc1ccccc1)C(=O)NCc1ccccc1 38879777 JUWWVSLBNQJCGV-QHCPKHFHSA-N 403.478 3.674 0 1 HHAF COc1ccc(C(=O)c2ccc(CN(CCO)Cc3ccccc3)cc2)cc1OC 40893378 RZOHJSQDLPUILR-UHFFFAOYSA-N 405.494 3.929 0 1 HHAF CN(C)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 73298013 RXCMWQZZWCFUHM-LPTDTENNSA-N 403.482 3.540 0 1 HHAF CSCC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265361 KKFAQBBHWNMUIQ-WMZOPIPTSA-N 419.522 3.589 0 1 HHAF O=C(O)Cn1c2c(c3cc(F)ccc31)C[C@H](Nc1ncc(C(F)(F)F)cn1)CC2 145872765 PURUYFHICMDJDW-GFCCVEGCSA-N 408.355 3.643 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ncc(OC(C)C)cc3F)C2)cc1 169709193 WSVIYTIAFXNFCE-KXBFYZLASA-N 401.482 3.863 0 1 HHAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587203403 PAXHDKMNFZSBEX-LLVKDONJSA-N 409.229 3.707 0 1 HHAF CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)cc(Br)c21 587371993 NTPSCPWUJRAUJB-FQEVSTJZSA-N 415.287 3.875 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2N)N1 587684928 RLWROVNRINUGQY-JKYUHCHBSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@@H](c3ccccc3)C2)N1 587789882 BTMZMIFQZFPJNE-RRBXVBTKSA-N 403.295 3.969 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587945419 DWCQOVNZLBGPLM-MRXNPFEDSA-N 413.543 3.875 0 1 HHAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1ccc(N2CCCC2=O)cc1 961319406 IJBGSNYNBVDLTH-VWLOTQADSA-N 408.542 3.980 0 1 HHAF CCCC(=O)C[C@]1(C(=O)OCC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962631530 FCWWFAOQGMSPOR-ATIYNZHBSA-N 420.553 3.951 0 1 HHAF COc1ccccc1-c1nn(C)cc1[C@H]1NCCc2cnc3c(OC)cccc3c21 963035592 OAPNRUHNGYPPFD-XMMPIXPASA-N 400.482 3.888 0 1 HHAF COc1ccc(OCC(=O)NC2CC2)c([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c1 963090178 IGWWTXXCDZLZCK-OSPHWJPCSA-N 410.489 3.602 0 1 HHAF COc1ccc([C@H]2C=CCN(C(=O)C3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 17919575 DXTNEYKWSUJKDR-JOCHJYFZSA-N 408.473 3.713 0 3 HHAF CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1 61896133 YJZVKNKGEGJXMB-QFIPXVFZSA-N 415.449 3.852 0 3 HHAF CCOc1ccccc1N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2108807 JZVOOBPZFJZREN-HSZRJFAPSA-N 405.454 3.815 0 1 HHAF biogenic C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2574255 FBUKMTQUBMAGGF-FIHDVKFZSA-N 406.563 3.657 0 1 HHAF biogenic COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cccc(F)c4)C3)C2)cc1 3956329 SUVAHELZIMFWTB-HSZRJFAPSA-N 411.477 3.995 0 1 HHAF CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc3c(C)cc(C)cc3s2)CC1 5107221 XKZKPECPKWQKSS-SFHVURJKSA-N 400.592 3.730 0 1 HHAF COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CCCC4)c3C3CC3)ncc1CC2 12149084 HKIGCTJVGPZZPO-UHFFFAOYSA-N 415.497 3.550 0 1 HHAF CCOC[C@@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 13745867 BGLSABLFDNHPOD-JOCHJYFZSA-N 421.545 3.939 0 1 HHAF CO[C@H]1CC[C@H](OC)[C@H](C2([C@H]3C[C@H](OC)CC[C@H]3OC)OC(=O)c3ccccc32)C1 17176460 GRLWJBJNHZKQHW-KNUVIGPKSA-N 418.530 3.713 0 1 HHAF C[C@H](C(=O)N(C)c1cccc(O)c1)C1(O)CCN(CCc2ccccc2Cl)CC1 27555253 OEXASHOOSCIEFD-QGZVFWFLSA-N 416.949 3.714 0 1 HHAF C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 34451673 BMBZWMQGQVEOCP-CYBMUJFWSA-N 412.914 3.703 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc(C(=O)CCN3CCCC3)c1)C2 40846869 FIIVANIWTPRMMG-HSZRJFAPSA-N 409.482 3.559 0 1 HHAF Cc1n[nH]c2cc(Nc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)ccc12 45322676 OXGLMNZWQZATBE-UHFFFAOYSA-N 415.501 3.981 0 1 HHAF CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1 59111730 LBAKRWRQQGNMEB-GOSISDBHSA-N 405.542 3.586 0 1 HHAF CN1CCN(C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)CC1 72112239 XSFSMOKQCJQFCA-SMUKYFJDSA-N 402.623 3.577 0 1 HHAF CC[C@H](COC)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ncnc21 84672120 RVOWIUNAJDIOCU-LLVKDONJSA-N 406.845 3.561 0 1 HHAF NC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)N[C@H]1CCCNC1 84708805 RXBYUXVJGDWYMF-JTQLQIEISA-N 413.330 3.694 0 1 HHAF O=C1CN(Cc2ccccc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 95866188 RXASKZNMLSGTDG-BFLUCZKCSA-N 416.496 3.664 0 1 HHAF O=C(c1ccccc1F)c1ccc(F)cc1/C=C/OCCN1CCC[C@H](C(=O)O)C1 96923633 YHZWVKZUCDXZTB-KQPPXVQYSA-N 415.436 3.980 0 1 HHAF CC(=O)[C@@H](O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@@H]1O 101694247 QWSRTOLIHWJYKS-DQVIHWHMSA-N 420.546 3.524 0 1 HHAF NC(=O)c1cccc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc12 114348893 KDBVTPCFYDAGLG-UHFFFAOYSA-N 412.453 3.985 0 1 HHAF COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccccc5s4)C[C@@H]3C2)c(OC)c1 116825846 FINDUWPLIUUSHQ-GJZGRUSLSA-N 409.511 3.522 0 1 HHAF O=C(O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1 145279343 VYTGYKUFOSTDIK-GOSISDBHSA-N 407.426 3.567 0 1 HHAF CN(C)c1ccc(C(=O)NCCCCCCNC(=O)N2Cc3ccccc3C2)cc1 167181250 REDZAVQGVBHEFF-UHFFFAOYSA-N 408.546 3.768 0 1 HHAF CC(C)c1cc(F)c([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@H](C)O)n2)cc1F 221676036 ZGASCMMHPOSBQL-NVGCLXPQSA-N 406.433 3.757 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299824509 HKDPXXYXTKIOGQ-UHFFFAOYSA-N 424.432 3.694 0 1 HHAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)c(F)c(C3CCC3)n2)c1O 299840622 VRFXVZKSMWMFRP-UHFFFAOYSA-N 415.874 3.874 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)OCCCO3)C(F)(F)F 587091492 DTVBXPUXLBVHDT-LJQANCHMSA-N 407.392 3.888 0 1 HHAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)cncc4[nH]3)no2)n1 587119008 VBLBXZFGKRKNLN-UHFFFAOYSA-N 413.157 3.639 0 1 HHAF COC(=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 587183762 IMTSRZYZCDXPII-UHFFFAOYSA-N 413.602 3.670 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(N)c(N)c21 587472790 NDXPGXRERFLTDE-RUZDIDTESA-N 414.461 3.963 0 1 HHAF Cc1cccc2c1OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612511 VKPXJJPRESMGJP-YADARESESA-N 416.385 3.919 0 1 HHAF C[C@@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619961 WENBCPFFCJNQEF-AVRDEDQJSA-N 409.463 3.986 0 1 HHAF COc1ccccc1C[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809261 SALXKAHJFRGXIW-WLRWDXFRSA-N 408.267 3.654 0 1 HHAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587952087 LTQXYFAINZQXAY-YRNRMSPPSA-N 421.563 3.630 0 1 HHAF CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)CC1 621439777 MGUMHGQFUPOHMX-JXXFODFXSA-N 410.555 3.801 0 1 HHAF CCCCNc1c(NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 653689977 IRJDILLTZVIVSJ-OAHLLOKOSA-N 410.518 3.744 0 1 HHAF CC(C)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCN(C4CCC4)C3)c(Cl)c2)CC1 653766368 SLQDBWKVZSVXNR-QGZVFWFLSA-N 419.997 3.948 0 1 HHAF CCOC(=O)C(C)(C)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189449 WQVYCZONDFSAOG-GTNSWQLSSA-N 407.816 3.762 0 1 HHAF C[C@]1(c2cc(Br)cs2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228154 NIZWYLKOKRYBST-YJBOKZPZSA-N 403.301 3.921 0 1 HHAF COc1ccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)cc1OC 1857587601 PYKFZFKTVYQQKM-DEOSSOPVSA-N 401.466 3.611 0 1 HHAF COc1ccc(F)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1 1857633633 HMYMGOYMKFISSM-NSHDSACASA-N 400.859 3.579 0 1 HHAF COC(=O)C1=CCC[C@@](C)(OC)[C@H](O)CCC(C(=O)OC)=CC=C(C(C)C)CC1 2356415083 ZCQHIVUOFDKQRZ-NFBKMPQASA-N 408.535 3.888 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)O[C@@H]1CO2 3197722 MTTUVGLGBORPBI-MOPGFXCFSA-N 410.422 3.714 0 3 HHAF biogenic,in-vitro Cc1noc(C)c1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(C(C)C)cc1 5026305 OMAIVHKCVMMOKP-UHFFFAOYSA-N 419.547 3.669 0 3 HHAF Cc1ccc(CNC(=O)C[S@@](=O)Cc2nc(-c3ccccc3F)oc2C)cc1 5057879 GZBYUPLJDVPNND-MUUNZHRXSA-N 400.475 3.663 0 3 HHAF CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 768706 MUTRDVINOMMGIJ-PZJWPPBQSA-N 414.889 3.689 0 1 HHAF OCCCNC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 6575141 TYCVHWFTERFAOH-HSZRJFAPSA-N 407.510 3.850 0 1 HHAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@H](C)C(=O)NCc1ccc(F)cc1 6916581 SWZODMHDJSMLER-MRXNPFEDSA-N 418.472 3.727 0 1 HHAF CCC(=O)N(c1ccccc1)C1(C(=O)OCF)CCN(CCc2ccccc2)CC1 13676621 DYTXUBOMMGLAOE-UHFFFAOYSA-N 412.505 3.977 0 1 HHAF COc1cccc(C(=O)OC[C@]2(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O2)c1 13704096 LPMUMWAFCAHQNA-VULPMGHGSA-N 404.503 3.775 0 1 HHAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21 26952631 MSJBTEJXCBLQIY-FKBYEOEOSA-N 401.510 3.750 0 1 HHAF COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(=O)OC 27103304 OWWFIAVRQGBXIV-UHFFFAOYSA-N 412.482 3.528 0 1 HHAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C=C2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 28825238 LGPPYXADNWRSLF-MPQCOTKXSA-N 416.470 3.741 0 1 HHAF COC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 38268665 TZDLGJXKWSQSTB-UHFFFAOYSA-N 416.562 3.769 0 1 HHAF c1cc(NC2=NCCN2)ccc1CCCCCCc1ccc(NC2=NCCN2)cc1 40762405 ZPXAEQIHMAXMES-UHFFFAOYSA-N 404.562 3.774 0 1 HHAF C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211131 NJUZKYJPGMLZBD-KRWDZBQOSA-N 412.493 3.810 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@@H](N)CC2 88260926 RTHRYZMOKATZKP-GOTSBHOMSA-N 418.578 3.688 0 1 HHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC2CC2)C3)cc1 95794589 WIRPZPJPWJZWAM-HAJZBTJFSA-N 422.491 3.813 0 1 HHAF C/C1=C/CC2=C(C(C)C)CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@H]1O[C@@]3(C)O 95909689 YAEXNKPEJYCROB-BPFXJLNCSA-N 416.514 3.945 0 1 HHAF biogenic,in-vitro O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2nccc3ccccc23)CC1 101472707 JXVSLNGMRZGTLA-VBQYBYOBSA-N 417.509 3.763 0 1 HHAF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H]1O 105481032 UFRYXHSGDCMKGK-UAFMIMERSA-N 413.297 3.828 0 1 HHAF N[C@@H]1CCCN(c2ccncc2Nc2cccc3cnc(-c4nccs4)nc23)C1 116904792 OAYLGJMFKMEJKI-OAHLLOKOSA-N 403.515 3.819 0 1 HHAF Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21 118545206 CWSCKWGKRCMORG-GASCZTMLSA-N 413.481 3.908 0 1 HHAF C[C@H]1CCC[C@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 118687377 KUQPGEGIXJVINV-IRXDYDNUSA-N 409.465 3.511 0 1 HHAF O=C(Cc1ccccc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 205774787 YEBWNEBTTYUFMD-LADGPHEKSA-N 401.510 3.685 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H](COc3ccc(F)c(C)c3)C2)c1 299872011 ZQKXDCSHFOFDEM-SFHVURJKSA-N 408.477 3.954 0 1 HHAF CCc1cc(O)nc(SCc2nc3cccc(I)c3[nH]2)n1 586966537 HRBKSDCOTUOTSZ-UHFFFAOYSA-N 412.256 3.518 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(I)cc2[nH]1 587041285 FEFJVIPCVRWEAK-LBPRGKRZSA-N 415.300 3.788 0 1 HHAF COc1cc2c3c(c1)O[C@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)[C@@H](C2)C3=O 587454144 WJMGWZMQSSXWIN-AOMKIAJQSA-N 414.479 3.922 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](Cc1cnn(-c3ccccc3)c1)(C(=O)O)CC2=O 587475268 KVIACSLCXOSFQU-HSZRJFAPSA-N 406.438 3.562 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O 587476980 GZXXSVDSMLHVDJ-HSZRJFAPSA-N 414.454 3.786 0 1 HHAF Cn1nc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539616 FTCSTSXDYGEVBC-MAUKXSAKSA-N 401.216 3.591 0 1 HHAF O=C1C[C@]2(C[C@@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598907 YWIJMPKSPQYJPR-SEIFXHLTSA-N 415.445 3.614 0 1 HHAF Nc1cc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1O 587657138 WNOCPFNZTQTCKD-UHFFFAOYSA-N 407.376 3.512 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2C)N1 587682131 UNEOADFOZCCRKJ-UHLUBPPHSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(C(F)(F)F)N1 587705487 MTXIHSCTSULMIV-VFZGTOFNSA-N 404.205 3.913 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 587836777 BNTNQFMUHCWNPR-GIGQVBGESA-N 406.251 3.877 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587849418 LJKCCPZVNHGXGG-ADLMAVQZSA-N 412.324 3.789 0 1 HHAF COc1ccccc1C(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642405 ZRJAWBFHFWWSHP-JXFKEZNVSA-N 423.387 3.681 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@](c2cc(F)cc(F)c2)(c2ncco2)N1)C(F)(F)F 962709939 KOEVYEPLKDKQHX-VQIMIIECSA-N 408.326 3.890 0 1 HHAF Cc1c(O)ccc2c1[C@@H](c1cccc(F)c1NC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963468677 ICXWGWZDJBJRTP-HNAYVOBHSA-N 416.449 3.875 0 1 HHAF Cc1cn(CC2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c(=O)nc1O 1772609536 RAJZSHXMDIAVEA-UHFFFAOYSA-N 405.498 3.962 0 1 HHAF Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccccc2)oc1Cl 1857570242 MVGKTBRSCGMQRY-XJKSGUPXSA-N 419.312 3.862 0 1 HHAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3cccc4cnccc34)c2)nn1 1857619451 IUSMVDXTCXKFCD-UHFFFAOYSA-N 407.499 3.959 0 1 HHAF CC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356698659 JALMRWUWAKQOMD-NNLJWKLDSA-N 402.487 3.798 0 1 HHAF COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2C)cc1OC 916972 ZYCZFSABAQQIHJ-UHFFFAOYSA-N 409.471 3.842 0 3 HHAF CCc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 5067043 IDDJIYMYYQIOEV-LJQANCHMSA-N 409.511 3.589 0 3 HHAF COc1ccc(NC(=O)c2cc([C@H]3CCCCN3C(=O)OCCF)on2)c(C)c1 61903647 BZZNRWDXQVESCB-QGZVFWFLSA-N 405.426 3.877 0 3 HHAF Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 205217042 GRPVBCJOCSTEDG-XJKSGUPXSA-N 408.882 3.520 0 3 HHAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(OC)cc2)c2c(F)cccc21 206033479 CVTAXDVFZNAAFY-NRFANRHFSA-N 408.429 3.949 0 3 HHAF COc1ccc(N2C(=O)CS(=O)(=O)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 1659505 LIJRDZOTMQRKOU-QFIPXVFZSA-N 409.463 3.948 0 1 HHAF O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2480356 MMRMNIUKOJJCNH-UHFFFAOYSA-N 422.815 3.679 0 1 HHAF COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(OC)c1 12656280 ZMPDNTWGKGMYRK-ZXPDZVFASA-N 407.894 3.763 0 1 HHAF Cc1cc(COc2ccc(N3CC[C@H]([C@H](C)N(O)C=O)C3=O)cc2)c2ccccc2n1 13490356 QTGLVPVEYPPUEP-LAUBAEHRSA-N 419.481 3.711 0 1 HHAF NC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 13555210 UUGWBWXXEMRPRH-UHFFFAOYSA-N 412.677 3.519 0 1 HHAF CN1C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 13601557 FGWACVODRFNWJZ-OAQYLSRUSA-N 403.869 3.910 0 1 HHAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCCCN(C)C 82082777 PUQYLEAVKQEOJM-SFHVURJKSA-N 418.563 3.526 0 1 HHAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084019 XUWNXBAXXVHUEM-MRXNPFEDSA-N 410.470 3.973 0 1 HHAF COc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4oc3=O)o2)cc1 103197333 DVAYWUGOKYKJAZ-UHFFFAOYSA-N 409.423 3.582 0 1 HHAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1C#CCCC(=O)NO 141910305 OQTIBGHDHJZZDB-UHFFFAOYSA-N 414.824 3.812 0 1 HHAF CC(C)(C(N)=O)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144940690 OKIXKZFNUIQGCM-HXUWFJFHSA-N 419.378 3.688 0 1 HHAF C[C@@H](CCC(=O)O)NC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O 146763734 HOZJGVRZKLKDAT-ZDUSSCGKSA-N 405.410 3.587 0 1 HHAF CC(=O)N[C@H]1CCCC[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F 165687518 YYAILOHGASAIPL-HOTGVXAUSA-N 402.861 3.672 0 1 HHAF O=C(Nc1ccc(C2=CCN(C(=O)[C@@H]3CC3(F)F)CC2)cc1)N1Cc2ccncc2C1 166195426 PAPZZYCWTHGANS-FQEVSTJZSA-N 424.451 3.900 0 1 HHAF Cc1cc(C)c(-c2nc(CO)[nH]c2Cl)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 219045493 DAAKMVCUPZBWIN-UHFFFAOYSA-N 420.900 3.951 0 1 HHAF Cc1ccc(N(C)C(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nn1 299824559 BKRRDBPGVOMBFE-UHFFFAOYSA-N 412.375 3.790 0 1 HHAF Cc1cc(OCCCN2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccccc2)n1 299837011 OBLKYJJWRQKMQM-UHFFFAOYSA-N 412.534 3.774 0 1 HHAF O=C(c1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 377806646 XZYUJRNZXKWJCO-UHFFFAOYSA-O 403.443 3.602 0 1 HHAF Fc1cc(Br)cnc1-c1nc2cc(I)cnc2[nH]1 587155082 JLSMHXVLAZDSRW-UHFFFAOYSA-N 418.995 3.526 0 1 HHAF O=C(O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 587168504 YLYKNBIBYMZZDX-UHFFFAOYSA-N 417.443 3.930 0 1 HHAF Cc1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 587186719 QFLXZHVOAHCAAT-UHFFFAOYSA-N 415.032 3.695 0 1 HHAF CC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339793 SSLQJMHJMZQOQQ-LADGPHEKSA-N 405.425 3.922 0 1 HHAF COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443243 MIFQAMBGCKLMEB-KBMIEXCESA-N 416.429 3.624 0 1 HHAF COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587577152 JFEFSZTZKKYSOU-REWPJTCUSA-N 407.422 3.869 0 1 HHAF C=C1NC(C)=Cn2nc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587586516 KLMWZFSZSIFAPZ-NFBKMPQASA-N 401.422 3.858 0 1 HHAF CCn1cc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587763762 MFYXCRNEUZSXPA-VUVKDXSPSA-N 407.331 3.658 0 1 HHAF Cn1cnc2cc([C@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)cnc21 962960695 UNRGHNSWPMWSJD-GOSISDBHSA-N 402.420 3.728 0 1 HHAF CCCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1 1772593051 BXRMFQDCESFZPQ-UHFFFAOYSA-N 402.476 3.542 0 1 HHAF O=S(=O)(NC[C@@H](O)/C=C/c1ccccc1)c1ccc(OCc2ccccc2)cc1 1857638301 SNJRMTIJYHAFRL-VIOKTNGOSA-N 409.507 3.618 0 1 HHAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@](C)(O)[C@]2(C)C(=O)CCOC(=O)Cc2cc(O)ccc2O)C1 2356829637 JAPUOJHCQMSTEY-PBSUABCJSA-N 416.514 3.522 0 1 HHAF CC(=CCC[C@H](C)C1=C[C@H]2O[C@]3(C)C[C@@]4(O)[C@H]5C(CO)=CC[C@@]14[C@@]2(C)C[C@H]53)CO 2356837167 LHLGFPJZAWXXIN-VBKRYWCXSA-N 400.559 3.525 0 1 HHAF CN[C@]1(C)CC[C@@H]2[C@H]([C@@H]1O)[C@H]([C@]1(C)CC[C@H](C(C)(C)Cl)O1)CC[C@@]2(C)NC 2356876584 ZMBBXNFPUQYSFZ-QBSAXQPZSA-N 401.035 3.695 0 1 HHAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NCc3cccnc3)C2)c(C)o1 4057397 RUVUPPLRFZQTKR-HXUWFJFHSA-N 404.514 3.882 0 3 HHAF COCc1cc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC 12755528 XSGXJGUYTOMYMP-SFHVURJKSA-N 400.494 3.623 0 3 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2cc(F)ccc2F)nn1 203462973 GULRLXQNAQAJSN-UHFFFAOYSA-N 411.412 3.555 0 3 HHAF CS(=O)(=O)Nc1cccc(-c2cccc3c2COCC(=O)N3Cc2ccccc2)c1 205218683 ASUCLGDTXJWEQI-UHFFFAOYSA-N 422.506 3.789 0 3 HHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO 769024 CXDTWLYEAJEXIS-QUCCMNQESA-N 416.905 3.575 0 1 HHAF COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccccc32)cc1 1616292 GCTODLXJJIVTIV-URXFXBBRSA-N 403.434 3.510 0 1 HHAF CCCc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)sc1C 7096688 YSRFRWPTMBPPAF-UHFFFAOYSA-N 416.543 3.523 0 1 HHAF biogenic COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCc2ccco2)c1 8682038 YAISVIVNCQWHNE-FCHUYYIVSA-N 423.421 3.908 0 1 HHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCNC(=O)[C@@H](CP(=O)(O)O)C(=O)O 13742376 RQKHKVWBMFOTOZ-VYSKZKNXSA-N 415.467 3.790 0 1 HHAF Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1c(F)cccc1F 14945530 CDPMBNCYGOAWNG-UHFFFAOYSA-N 413.330 3.935 0 1 HHAF O=C(CCCOc1ccc(Cl)cc1Cl)NC1(C(=O)O)Cc2ccccc2C1 26392740 LLMHGMRBBAVQHT-UHFFFAOYSA-N 408.281 3.891 0 1 HHAF CN1CCN(C[C@@H]2CCCCN2C(=O)Cc2csc3ccc(Cl)cc23)CC1 29043266 UUTHLQDFXZRFKP-SFHVURJKSA-N 405.995 3.726 0 1 HHAF CC(=O)N1CCN(CCN2C(C)=Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)CC1 72123123 DEUBJXROHNXFGK-QHCPKHFHSA-N 410.949 3.959 0 1 HHAF COc1cc2cc(NC(=O)CCCN(C)Cc3ccccc3)c(=O)oc2cc1OC 95593351 VQHWURZYZPEASN-UHFFFAOYSA-N 410.470 3.661 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ncccc45)ccc31)[C@H]1CC[C@H](C2)N1 100632920 LEVDXNRRALAJPG-AUUYWEPGSA-N 403.507 3.909 0 1 HHAF CCCOc1ccc(Br)cc1[C@@H]1/C(=C(\O)OCC)C(C)=Nc2nnnn21 103529720 JGHLFDQDVJULGC-DPEHCCBOSA-N 422.283 3.726 0 1 HHAF CCOc1cc(C(=O)Nc2c(O)oc3ccccc3c2=O)cc(OCC)c1OCC 103568839 GMZLBNBXLMGMIC-UHFFFAOYSA-N 413.426 3.947 0 1 HHAF Cc1c(N(CCN2CCOCC2)S(=O)(=O)c2ccccc2)sc2ccccc12 115229877 YIODXAUPKQFSHL-UHFFFAOYSA-N 416.568 3.737 0 1 HHAF O=C(c1ccc(F)c(F)c1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 144359278 WHMMWNDJMJGIPY-UHFFFAOYSA-N 409.440 3.977 0 1 HHAF Cc1ccc(C2(O)CCOCC2)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 145749239 IMUWQOKSBPPDFX-UHFFFAOYSA-N 415.497 3.832 0 1 HHAF Cc1c(C2COC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 147080777 PCMZGTDLLGBMMV-UHFFFAOYSA-N 415.471 3.601 0 1 HHAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(CCO)[nH]c1Cl 206748082 PKFWVCMDWWOKNY-UHFFFAOYSA-N 420.900 3.685 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccc(F)cc1 261180999 WCEFHCLCBAMSHN-QGZVFWFLSA-N 424.411 3.807 0 1 HHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(I)cc2[nH]1 587041272 FEFJVIPCVRWEAK-GFCCVEGCSA-N 415.300 3.788 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587490607 YYYFBXOGKTUZHT-DHIUTWEWSA-N 417.502 3.849 0 1 HHAF O=C1C[C@H](c2cccc(OCCN3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518301 FFMCXXUVKOMRQN-XMMPIXPASA-N 407.510 3.983 0 1 HHAF COc1cccc(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661553 ZVQVIFUUEDDIMQ-UHFFFAOYSA-N 403.413 3.964 0 1 HHAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 587767897 KBQAWBQTIKIKLT-XXFAHNHDSA-N 411.271 3.633 0 1 HHAF COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2cccc(N)c2)cc(OC)c1OC 653692810 LGMDRRYCGPZOJJ-GGAORHGYSA-N 420.465 3.830 0 1 HHAF COc1ccc2c(c1)[C@](C)([C@H]1C(=O)c3cccc4c3N(CC4)C1=O)N(C(C)C)CC2 962042674 JAYOAXFTYRDFTJ-SQJMNOBHSA-N 404.510 3.579 0 1 HHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc(-n3ccnn3)cc2)N1 963206788 YPVYLIKRANGASH-SJORKVTESA-N 422.794 3.628 0 1 HHAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)nc(CO)c12 1772577016 JXWOJJREXARZMQ-MRVPVSSYSA-N 410.261 3.648 0 1 HHAF O=C(O)CCCOc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1 1772585464 LRNISQSDGNCOPP-UHFFFAOYSA-N 408.389 3.571 0 1 HHAF Cc1ncc(C)n2nc(-c3ccn4cc(-c5ccccc5Br)nc4n3)nc12 1857635219 DDTUQJYDFJCYMP-UHFFFAOYSA-N 420.274 3.880 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2ccncc2)CC[C@]1(C)O 2356288930 MVFWAGRBDOANMU-SJBKTWHCSA-N 401.576 3.762 0 1 HHAF COc1ccccc1CNC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 2356551278 XWHQPOJMJWKSGV-DPLHUUCSSA-N 408.498 3.591 0 1 HHAF CCc1nc2c(OCc3ccc(C(=O)OC)cc3)cccn2c1N(C)C(=O)C(C)C 61926734 XBAOQOLYCHNTOB-UHFFFAOYSA-N 409.486 3.881 0 3 HHAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@H]1c1cn(C)c2ccccc12 2468680 QWZAWPSOJNSTJV-XZOQPEGZSA-N 413.477 3.998 0 1 HHAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 2489484 DXRPDDOBITUDJR-CTNGQTDRSA-N 416.562 3.748 0 1 HHAF COc1ccc2c(C)nc(N3CCC[C@H](C(=O)N(C)Cc4cccs4)C3)nc2c1 12456316 LXWGAACDPLZHER-INIZCTEOSA-N 410.543 3.883 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/C=C/c2ccccc2)CC1 13526367 IOIJPOKENALSRI-VMUIEEQSSA-N 419.569 3.983 0 1 HHAF CCCCCCOc1ccc2c(c1)c(CC[C@H](CO)n1cnc(C(N)=O)c1)cn2C 13580977 QBDQBFOJTONVKG-GOSISDBHSA-N 412.534 3.599 0 1 HHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)c(C=O)c2)cc1 13589000 UYSSKRKOZCNFRW-UHFFFAOYSA-N 424.400 3.783 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@]12C 26383244 ZMAIFLOHRXCDQS-DAMCDULNSA-N 418.622 3.959 0 1 HHAF C[C@@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559623 NUSBNPJDZNYDIC-QRQLOZEOSA-N 417.571 3.760 0 1 HHAF CC(C)NC[C@H](O)COc1ccc(OCCOCCc2ccc(Cl)cc2)cc1 29337308 RVHHUVYZMGWMPH-FQEVSTJZSA-N 407.938 3.716 0 1 HHAF C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@@](C)=O)cc2)CCS3)cc1 34079723 YGHFVIHLZKIRND-UIOOFZCWSA-N 402.566 3.798 0 1 HHAF Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1cccc2c1OCCO2 35001742 HNZDHVOCWNIFHR-UHFFFAOYSA-N 416.890 3.731 0 1 HHAF COc1cccc(-n2c(=O)n([C@@H](C)c3ccccc3)c3cnc(NC4CC4)nc32)c1 42890616 YVTRRGUYCMDLRM-HNNXBMFYSA-N 401.470 3.774 0 1 HHAF COc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2[C@@H]1CCCN(C)C1 49089756 UARNXWMBTDEUME-MRXNPFEDSA-N 402.491 3.889 0 1 HHAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3cnn(C)c3)cc1)C2=O 96286164 VBYMYBZARCKRQZ-UHFFFAOYSA-N 415.541 3.810 0 1 HHAF O=C(O)c1cc(N2CCC[C@H]2C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 142478151 AKXVJDKBMFNFSC-SFHVURJKSA-N 423.400 3.827 0 1 HHAF CN1CCC(COc2ccncc2N2CCN(c3ccc4ncsc4c3)C2=O)CC1 148403147 NBTFCPWXFQDHCV-UHFFFAOYSA-N 423.542 3.859 0 1 HHAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc(OC)c(OC)c1)CCCC3 169686318 IFHDKWFRCUTUOD-PMACEKPBSA-N 423.513 3.977 0 1 HHAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN(C)C)c2c1C 169708353 GRRNIUGAMFBMOF-NSHDSACASA-N 418.494 3.998 0 1 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 205473409 BKSWTQTWKNVODB-LMNXFLSBSA-N 410.558 3.624 0 1 HHAF CC1=C[C@H]2C[C@@H](C)CC3=NC[C@H](C)[C@H]([C@@H]32)[C@H]1c1cc(O)cc(OS(=O)(=O)O)c1 238765118 HYDRCZZSNCTIRE-ZFOAAQPFSA-N 405.516 3.987 0 1 HHAF COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 253731778 BJEDIGDSPYXOHZ-FYYHNWSASA-N 417.590 3.713 0 1 HHAF O=S(=O)(c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1)C(F)(F)F 587034780 HQQGHWUQOUMBFY-CYBMUJFWSA-N 402.419 3.774 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCO)[C@@H](C2)C3=O 587411530 DENFHUABCSHCKU-MGPUTAFESA-N 419.271 3.708 0 1 HHAF COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587594883 PPSRHSFEJKBOBZ-CVDCTZTESA-N 406.390 3.761 0 1 HHAF COC(=O)c1coc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618293 UCLQUJRXPZVBTF-WMZHIEFXSA-N 406.390 3.965 0 1 HHAF O=C(c1ccnn1COc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587652232 YXGCUDNADXVAOL-UHFFFAOYSA-N 415.236 3.625 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)nn2C)N1 587683160 OBYUOKNMYMZEAG-UOWDBTKRSA-N 403.093 3.708 0 1 HHAF CO[C@@H](C)COC1CCC(c2nc3cc(I)cnc3[nH]2)CC1 587952200 MTBNOFUEZGKYLQ-ZBOXLXRLSA-N 415.275 3.640 0 1 HHAF COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2c1OCCO2 653905146 GSVZKVUECPSJDL-UHFFFAOYSA-N 405.813 3.962 0 1 HHAF CCCO[C@H]1CCCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)C1 12302957 GXNPFDGUHHCMTJ-NRFANRHFSA-N 418.578 3.978 0 3 HHAF CCCc1cn(C[C@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 199229329 DNUSUAVQDDXZDA-INIZCTEOSA-N 408.506 3.768 0 3 HHAF Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1 3956029 HAPCWOXYFDEFTD-OAQYLSRUSA-N 400.454 3.591 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4055048 MJASJQRYELTCNX-JBYOLUDKSA-N 415.921 3.507 0 1 HHAF Cc1nn(CCC(=O)Nc2cc(F)ccc2F)c(=O)c2nn(-c3ccccc3)c(C)c12 8593992 VENLOSJYPXFNFI-UHFFFAOYSA-N 423.423 3.506 0 1 HHAF C[C@H]1CN(CCCn2nc3ccccn3c2=O)C(C)(C)CN1c1cccc(Cl)c1 27091208 NPMIRPDEZBWFON-KRWDZBQOSA-N 413.953 3.529 0 1 HHAF COC(=O)c1cccc(-c2nnc(C[C@H](O)Cc3ccc(-c4ccccc4)cc3)o2)n1 40880996 DENDYBHSMCFTHK-LJQANCHMSA-N 415.449 3.731 0 1 HHAF CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1 73195604 PLSACLAQHRXXAE-UHFFFAOYSA-N 412.515 3.592 0 1 HHAF O=C1C(=O)N(c2ccccc2Br)CCN1Cc1ccc(F)cc1Cl 95611031 LTSLYNQEQJJQQA-UHFFFAOYSA-N 411.658 3.617 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1F 261162385 RCORLUPQTRNDHM-QAETUUGQSA-N 421.534 3.844 0 1 HHAF O=C(CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)Nc1cccc(F)c1 587163164 NSOXTYRUJYBKLB-UHFFFAOYSA-N 406.211 3.734 0 1 HHAF O=C(N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O)OCc1ccccc1 587204200 VUKKZZGNAHHEER-AWEZNQCLSA-N 407.348 3.504 0 1 HHAF COc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355766 ZWNAXEQQWDXQPJ-OFNKIYASSA-N 408.381 3.879 0 1 HHAF CCOC(=O)[C@]1(c2ccc(Br)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453480 SUWMCEXKRKUOGO-ZMZPIMSZSA-N 423.284 3.725 0 1 HHAF C[C@]1(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526467 POGYSLJRFHGHEW-IVCQMTBJSA-N 422.525 3.619 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1C=O 587591085 FRMTXJNKEZWPLV-REWPJTCUSA-N 406.390 3.925 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592428 HCGOWCSXVJYGHD-XXBNENTESA-N 403.390 3.600 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1=C(C)N[C@H]2C=CC(Cl)=CN12 587870983 MUXKGEWBZQKZIT-QGZVFWFLSA-N 400.841 3.841 0 1 HHAF O=C(O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c2ccccc2c1O 653737605 IMEDQDQJCFEBNZ-UHFFFAOYSA-N 422.256 3.807 0 1 HHAF COc1ccc2c(c1)c([C@H]1NCCc3c(OC)ccc(Cl)c31)cn2CC(=O)O 963256168 BADPDGCCVCCJED-OAQYLSRUSA-N 400.862 3.632 0 1 HHAF CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963465254 ANZSSHRXMYVAIS-GHTZIAJQSA-N 422.481 3.609 0 1 HHAF Cc1cncc(C(=O)Nc2cc(CN3CCC(C(=O)NC(C)(C)C)CC3)cs2)c1 1772648203 VPBITJKPXBAHMS-UHFFFAOYSA-N 414.575 3.831 0 1 HHAF COc1cc(-c2nc3ccc(/C=C4\SC(=O)NC4=O)cc3[nH]2)cc(OC)c1OC 1857755178 WVIIDOOPHPNZHL-APSNUPSMSA-N 411.439 3.580 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356302667 LMCZMNWKDARDDS-CABCVRRESA-N 410.449 3.889 0 1 HHAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)C[C@@]1(C)O 2356620816 FPTHFNAIWCRDNZ-ZELQGXIDSA-N 420.590 3.910 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 7140964 PUDOZZTYLABBEU-HLLBOEOZSA-N 415.559 3.727 0 3 HHAF aggregator CC[C@@H](c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 73240986 DSBITVMEZIJQLK-IBGZPJMESA-N 409.538 3.610 0 3 HHAF CC[C@H]1CCCCN1C(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12 4731107 LSMHAVKXRWDFNZ-INIZCTEOSA-N 421.497 3.808 0 1 HHAF O=C1NC[C@@H](c2c[nH]c3cc(Br)ccc23)N[C@H]1c1c[nH]c2ccccc12 15266939 BAHAHDZOJKHNMC-OALUTQOASA-N 409.287 3.914 0 1 HHAF biogenic Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCC(C)CC3)CC2)c(C)c1 23155853 WSGBTVLGDUUUHN-UHFFFAOYSA-N 406.592 3.707 0 1 HHAF COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 28817403 VVTIALJSEAYKBI-UNMCSNQZSA-N 422.481 3.542 0 1 HHAF O=C1NC[C@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@]1(O)c1cccc(F)c1)CC2 38147502 VTESATXDAMBSLY-PLXFJCCSSA-N 422.544 3.952 0 1 HHAF CC(C)(C)CC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(OC(F)(F)F)cc2)C(=O)O1 40835290 BKSWBUOCPLRYIZ-HTJTXACHSA-N 416.392 3.626 0 1 HHAF CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 43069528 WBZIEKDSJFZPMX-ISKFKSNPSA-N 408.498 3.591 0 1 HHAF COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4ncsc4c32)cc(OC)c1OC 71329857 GXCKPRUSAAMPMT-MRXNPFEDSA-N 410.451 3.690 0 1 HHAF Cc1ccc2c(c1)CN(C[C@@H](CO)N1CCC(c3noc4cc(F)ccc34)CC1)C2 89455453 MUXRCMBCLRYUGM-NRFANRHFSA-N 409.505 3.831 0 1 HHAF O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95877547 OAKICYHVDOOXEH-NMNUPHIUSA-N 403.457 3.878 0 1 HHAF CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C1 101668509 YXOCMNIVIOISGO-KXLXBLRFSA-N 405.542 3.836 0 1 HHAF O=c1c(Nc2ccc(Cl)c(Cl)c2)c(Nc2nnc(-c3ccncc3)s2)c1=O 101698263 HIKDEHZLRZETSG-UHFFFAOYSA-N 418.265 3.990 0 1 HHAF CC1(C)CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1 144118381 NXBFCBISMOWLHH-UHFFFAOYSA-N 402.477 3.786 0 1 HHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccccc1)N2C/C=C/I 195332138 CZPZQMXAJDWBFP-GNVPPKAWSA-N 411.283 3.745 0 1 HHAF O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(Cl)ccc2c1N1CCOCC1 201539152 UMYSLGNWXGMQNV-UHFFFAOYSA-N 424.856 3.836 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@@H]2CCCC[C@H]21 586962527 XNYWQQZPSJMZGX-DQLDELGASA-N 411.527 3.750 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239625 MDVRRKKXAAMEMZ-SRMJIJMDSA-N 411.506 3.994 0 1 HHAF CCCCC[C@@]1(CC(=O)N[C@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512831 PUAVOOHPJIKAAB-CYFREDJKSA-N 413.514 3.672 0 1 HHAF CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649637 RNZSYTGHFPZMFM-UHFFFAOYSA-N 405.859 3.638 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587799022 VREMKMPZPZGZCI-WNWIJWBNSA-N 404.239 3.786 0 1 HHAF C=CN1CC[C@H]([C@@]2(CSC)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587843595 IZZLIQOTXZQQFV-RRUGBERISA-N 413.356 3.673 0 1 HHAF CN(c1ccc(-c2csc(-c3cn(C4CCCC4)nc3N)n2)cc1)S(C)(=O)=O 587924002 XSHFCRXNJIQAPI-UHFFFAOYSA-N 417.560 3.767 0 1 HHAF COCCc1cc(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccn12 653806339 SWSVOFPZAAGMJN-UHFFFAOYSA-N 406.360 3.848 0 1 HHAF COc1cccc([C@]2(c3cccc(C)c3)NCCc3ccc(C(=O)N(C)C)cc32)n1 962932120 FBSIFZSOPVDPBL-RUZDIDTESA-N 401.510 3.538 0 1 HHAF O=C(CC1CCCCC1)N[C@H]1C[C@@H](n2cnc3c(NCc4cccnc4)ncnc32)C1 1772647523 QMUXIASCBQUOPR-KDURUIRLSA-N 419.533 3.624 0 1 HHAF CC[C@@H]1[C@H](C[C@H](C)C(=O)OC)O[C@]23CC[C@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13 2356336280 KSRHASDCOAHRSY-XURPFAALSA-N 407.551 3.523 0 1 HHAF CC(C)CCCCCCCC[C@@]1(O)C=C[C@@H]2N(CCCCNC(=N)N)CCCN21 2356834685 KDUUTAXPCABVAX-FYYLOGMGSA-N 407.647 3.619 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 771778 FWVVOHJECSTCGD-UNWVZKJWSA-N 420.465 3.620 0 1 HHAF Cc1csc2nc(Cc3cccc(NC(=O)c4ccc(NN)cc4)c3)oc(=O)c12 6523546 KKQYHXOPJNLGFK-UHFFFAOYSA-N 406.467 3.687 0 1 HHAF Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)c2)c1 13152798 OITVFZXFBDIOLE-FZHKGVQDSA-N 404.466 3.692 0 1 HHAF CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccc(Cl)cc21 13737533 YPAZDKWHXDCABK-QFBILLFUSA-N 414.918 3.806 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(F)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 27208882 PZRYYPUHNXFSBR-FQEVSTJZSA-N 414.433 3.787 0 1 HHAF O=C(O)CN(C(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 27521304 JTSBJUUGXLSFDP-UHFFFAOYSA-N 407.209 3.904 0 1 HHAF CCCN(CCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 34801042 UTWODMYAWGDPAE-INIZCTEOSA-N 413.468 3.803 0 1 HHAF Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1 35826729 UVSLSTOAZHUYRU-UHFFFAOYSA-N 402.542 3.875 0 1 HHAF CC(C)N1CCN(C(=O)c2ccc([C@@H]3CC[C@H](C(=O)O)c4ccccc43)cc2)CC1 38192507 QIFKQEXMAAANPV-REWPJTCUSA-N 406.526 3.947 0 1 HHAF Cc1n[nH]c(C)c1-c1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2 40972854 NSTOXSVRKXAFKU-UHFFFAOYSA-N 409.515 3.745 0 1 HHAF Cc1cc(C(=O)Nc2ccc3c(c2)CCN3[C@H]2CCN(Cc3ccc(O)cc3)C2)no1 45191836 QDTPDBRXORGIGM-FQEVSTJZSA-N 418.497 3.578 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 72121426 HZRMDFYIUZHUDP-NLFFAJNJSA-N 421.493 3.744 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ncccc45)ccc31)[C@@H]1CC[C@H](C2)N1 96175248 LEVDXNRRALAJPG-KUHUBIRLSA-N 403.507 3.909 0 1 HHAF CCCc1cc(S)cc(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 100773257 KGJOPYTYZFVKPP-UHFFFAOYSA-N 403.511 3.985 0 1 HHAF O=C(NCCc1ccc(Cl)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167685344 WCLXNJUOACLYKE-UHFFFAOYSA-N 421.928 3.865 0 1 HHAF O=C(NC[C@H]1CCCO1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 169295610 HPKDGRQQSDMWPV-YCPHGPKFSA-N 412.387 3.591 0 1 HHAF CNc1nc(Nc2cn(C(C)(C)c3nc(C)cn3C)nc2C)ncc1C(F)(F)F 205701983 JGUMXBZMRBCEIE-UHFFFAOYSA-N 408.432 3.611 0 1 HHAF O=C(NC[C@H](c1ccc(Cl)nc1)N1CCOCC1)c1cccc(Cl)c1Cl 207596229 BOCDCRVUZFPXEC-OAHLLOKOSA-N 414.720 3.845 0 1 HHAF CC(C)(C)CC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 299812765 RHYRXROSVKTLCJ-FCWSCXGOSA-N 423.553 3.642 0 1 HHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586922025 KQDUOZFEQMEABD-UHFFFAOYSA-N 415.259 3.988 0 1 HHAF O=C1COc2cc3[nH]c(-c4csc(Nc5cccc6ncccc56)n4)nc3cc2N1 587018365 WXIOKZLESIIBIY-UHFFFAOYSA-N 414.450 4.309 0 1 HHAF O=C1C[C@@H](c2nc3cncc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587147849 CBQOVOPAADDMCG-SNVBAGLBSA-N 407.218 3.515 0 1 HHAF O=C(c1ccc(C(F)(F)F)nc1)c1c(CO)oc2cc(Br)cnc12 587276900 UJXLUQBGCOYUAQ-UHFFFAOYSA-N 401.138 3.727 0 1 HHAF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587410639 UGOFDIRAAXIHLD-JOCHJYFZSA-N 410.495 3.805 0 1 HHAF COCOc1ccccc1[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435896 KANCWXOEOJJROW-DVECYGJZSA-N 403.434 3.764 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)nc12 587926652 KRGUUVJNBNLISF-UHFFFAOYSA-N 405.410 3.801 0 1 HHAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1F 653859629 ZSOSABCCZBVPKA-UHFFFAOYSA-N 404.825 3.707 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@]3(CCCNC3)Oc3ccccc31)N(C)[C@H](C)C2 962629581 PISOESHVRQNEGW-HCOMASKESA-N 408.542 3.729 0 1 HHAF O=C(NCCc1ccc(F)cc1)c1cc2cccnc2n(CCc2ccccc2)c1=O 1857581322 DKOLFYOCHZMFNO-UHFFFAOYSA-N 415.468 3.751 0 1 HHAF CCCOc1c2c(cc3oc(CO)c(CCC(C)C)c(=O)c13)O[C@@H](C(C)(C)O)C2 2356308100 QCZJHIDPEAKRRF-LJQANCHMSA-N 404.503 3.737 0 1 HHAF CN(C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)C1CCCCC1 6936745 VYFWZJALIYMFHN-UHFFFAOYSA-N 410.566 3.560 0 3 HHAF CC1CCN(c2c(NCc3ccc(C(=O)N(C)C4CCCCC4)cc3)c(=O)c2=O)CC1 20414692 VETDNQALMJNRMC-UHFFFAOYSA-N 423.557 3.536 0 3 HHAF Cc1ccc([C@H](C(=O)NC2CCCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 35212803 SVDVSZCBPCEMGU-JOCHJYFZSA-N 409.530 3.536 0 3 HHAF Cn1c(=O)c2cc(NC(=O)OCCF)ccc2n1Cc1cccc(C(F)(F)F)c1 61905984 ZPIVDJZBQAISCH-UHFFFAOYSA-N 411.355 3.925 0 3 HHAF COc1cccc(-c2cnc3c(NC=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)c1 61906479 DQTRVKHITJUJLS-UHFFFAOYSA-N 421.478 3.649 0 3 HHAF CCOC(=O)C(=O)N(C)c1c(CC)nc2c(OCCC3CCCCC3)cccn12 61908185 CQOJDIBUDHYNOS-UHFFFAOYSA-N 401.507 3.772 0 3 HHAF CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 772148 PAFFHBYBAWLLAK-PZJWPPBQSA-N 414.889 3.689 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\I)cc2)C[C@@H]2CC[C@H]1N2C 4847405 ABXUYGWOEIXKBD-YRVSDYCQSA-N 411.283 3.832 0 1 HHAF Cc1c(C(=O)NCCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 13602507 IOFXWIFLOYZNNH-UHFFFAOYSA-N 424.448 3.825 0 1 HHAF CCc1c(C(=O)NCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 13602527 MKKMTLJJZXKVQU-UHFFFAOYSA-N 424.448 3.689 0 1 HHAF Cc1nc(C(=O)N[C@H](C)C(=O)NCc2ccc(F)cc2)cc2c1[nH]c1ccccc12 15969909 QBNHSFFQMSOWNR-CQSZACIVSA-N 404.445 3.598 0 1 HHAF biogenic O=C(Cc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O 26377170 QJGLJQLSDWKUHQ-QFIPXVFZSA-N 421.859 3.954 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C(=O)C[C@@]4(C)[C@@H]3CC[C@]12C 26391160 SZDSCLOAPYDVBU-NSRMYUBESA-N 402.579 3.513 0 1 HHAF O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 27209568 PLNFKYPQSOGZAX-QXGSTGNESA-N 420.937 3.778 0 1 HHAF Cc1ccc(C(=O)O)cc1Nc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F 43015560 KMWHOVQIVXUVNW-UHFFFAOYSA-N 410.380 3.753 0 1 HHAF CCOC(=O)CN1C(=O)[C@@]2(OC[C@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 66148117 MTYSPTUPQCBBJA-BSWQBHCVSA-N 403.478 3.724 0 1 HHAF CC(=O)NCc1cccc(-c2cc(=O)n(C[C@H]3CN4CCC3CC4)c3ccccc23)c1 95586874 UJGOADHVWOJKPW-JOCHJYFZSA-N 415.537 3.646 0 1 HHAF O=C(c1ccccc1F)c1cc(F)ccc1/C=C/OCCN1CCC[C@H](C(=O)O)C1 96923621 YLFLEEKXJUNEEA-KQPPXVQYSA-N 415.436 3.980 0 1 HHAF COc1ccc(OCCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 96928018 SPDYXBCDZDPHSM-UHFFFAOYSA-N 404.466 3.503 0 1 HHAF CCOc1ccccc1NC(=O)[C@H]1CC[C@H](N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1 101472735 MGVPZHOWOLPGSS-WOAWDCDKSA-N 410.514 3.614 0 1 HHAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)C(F)F)cc1 103197436 ZDQRTXYGPFBCJM-MUUNZHRXSA-N 424.322 3.892 0 1 HHAF CCCCNc1ncc(-c2ccc(CNC3CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242252 PWOIRDUWFWWFMT-KDURUIRLSA-N 410.566 3.718 0 1 HHAF COC[C@@H]1CCCN1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 146586295 SNHHCTLDEGDFQK-SFHVURJKSA-N 419.485 3.768 0 1 HHAF CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN([C@H](C)c2ccccc2)CCO1 253663440 IRUPSXMYBVDTMY-NVXWUHKLSA-N 417.937 3.513 0 1 HHAF O=S1(=O)NCc2ccccc2N1C1CCN([C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 261177042 VCXLVYDBFSASMP-LVCYWYKZSA-N 403.592 3.664 0 1 HHAF Cc1ccc(-c2nnc(SCc3nc4cnc(C(F)(F)F)[nH]c-4n3)n2C)cc1 586965734 XAWQGTPUFOWJSH-UHFFFAOYSA-N 405.409 3.720 0 1 HHAF O=S(=O)(NCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(F)c(F)c1F 587134657 TXLXZPVHGRZWJH-UHFFFAOYSA-N 410.204 3.766 0 1 HHAF CN(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170797 SNBLDSDKURZKSM-UHFFFAOYSA-N 405.348 3.681 0 1 HHAF O=C(N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)O)OCc1ccccc1 587202640 KFRZSKYVGJGJAN-HNNXBMFYSA-N 408.241 3.792 0 1 HHAF COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587345826 GWRKDLVMQQDEPH-CVDCTZTESA-N 405.381 3.746 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(NC(=O)C3CC3)cc1)O2 587390655 PKWDDZVEXXXDAM-HSZRJFAPSA-N 407.470 3.678 0 1 HHAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O 587417751 PTWCNFUXFBPNPL-AZTFUCOCSA-N 415.287 3.571 0 1 HHAF C[C@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517685 SELZGGHATLGODE-IVCQMTBJSA-N 419.477 3.884 0 1 HHAF Cn1ncc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540294 MQNXYBQCJOQUQJ-KDOFPFPSSA-N 401.216 3.591 0 1 HHAF CCOC(=O)[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550908 WFQPPLOAYIBVNG-BEFAXECRSA-N 410.344 3.998 0 1 HHAF CS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559633 YGFACQCLGFNGSM-NQIIRXRSSA-N 414.410 3.638 0 1 HHAF COCCN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587571452 KZGBVDGJIKXTSX-NZQKXSOJSA-N 406.438 3.573 0 1 HHAF COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590550 SQZHENVGHVKVBQ-GBXCKJPGSA-N 415.401 3.904 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1N1CCNCC1 587592047 HFJZJMNRDYOLNK-URXFXBBRSA-N 402.450 3.505 0 1 HHAF CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 587596188 RFZIQORVQMVDQG-RCZVLFRGSA-N 416.477 3.847 0 1 HHAF CC1CC2(C1)c1[nH]c3ccccc3c1C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C 963064375 HMZIHLHUWLFUPY-ISGSGWSNSA-N 414.502 3.791 0 1 HHAF COc1ccc(N(C)c2ncnc3c2ncn3Cc2cc(OC)cc(OC)c2)cc1 1857631116 ROQMDNMNQJCSNO-UHFFFAOYSA-N 405.458 3.668 0 1 HHAF Cc1ncc(-c2ccc3c(c2)N(c2cnc(-n4ccnc4C)cn2)C(=O)C3(C)C)cn1 1857763113 PBZHRILHADNSNO-UHFFFAOYSA-N 411.469 3.692 0 1 HHAF CC(=O)[C@H](O)[C@H](O)CC(C)=CCC[C@H](C)C=CC=C(C)CCCC1=CC(=O)O[C@H]1O 2356500298 QWSRTOLIHWJYKS-ZOWXDCFTSA-N 420.546 3.524 0 1 HHAF CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc(-n2ccnc2)c1 598549 KELXMCLTRLFGNQ-UHFFFAOYSA-N 409.486 3.576 0 1 HHAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 4051719 PHSODVWRZHEGNG-ISKFKSNPSA-N 416.477 3.982 0 1 HHAF Cc1cc2c(cc1O)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2 27426298 SRWRQPQMXBCFIH-KNQAVFIVSA-N 413.495 3.757 0 1 HHAF O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1 28115626 VDURQHWFSXZAER-UHFFFAOYSA-N 401.425 3.882 0 1 HHAF COc1ccc(OCCN2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 28836737 LURCKJAGHVQMQC-UHFFFAOYSA-N 413.905 3.667 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820751 IHCPIJYMENVZLU-XSNMPADYSA-N 408.579 3.593 0 1 HHAF COc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1NC1CCN(C)CC1 35262195 PSIGPKXYPZGRTF-UHFFFAOYSA-N 417.506 3.532 0 1 HHAF COc1ccc(-c2[nH]c3ccc(C)cc3c2C2=C(Br)C(=O)NC2=O)cc1 40404062 FAQYPJZYNXTBQC-UHFFFAOYSA-N 411.255 3.914 0 1 HHAF COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)cn1 45355572 ANLCRMHUAHFDNE-UHFFFAOYSA-N 404.397 3.958 0 1 HHAF Cc1ncc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1 49033588 CHZDZXOVCILOLM-UHFFFAOYSA-N 422.229 3.864 0 1 HHAF COc1ccc(NC(=O)N2CCc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3C2)cc1 68267331 SRFYPIBZDRWRIK-UHFFFAOYSA-N 415.453 3.517 0 1 HHAF C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2CN[C@@H]1CCCC12CCCC2 85547804 DFIDXMCGQSQTCP-IWMPYTMRSA-N 406.570 3.862 0 1 HHAF biogenic,in-vitro CCC(=O)[C@H]1[C@@H](c2ccc(I)c(F)c2)C[C@H]2CC[C@H]1N2C 100911893 MFXOPVPJQXKRIK-RYPCIWMOSA-N 401.263 3.976 0 1 HHAF CN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2F)CC1 115625736 SSCONOUSSVARHH-UHFFFAOYSA-N 407.493 3.518 0 1 HHAF CNC(=O)c1cccc(F)c1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 143821103 LMWRYQNSVAVXPG-UHFFFAOYSA-N 418.476 3.996 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1 169707042 NJDNNMMTGUHUJL-KRWDZBQOSA-N 406.461 3.706 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CC)nn2-c2ccccc2)c1 169707210 FGTDGZQUQXYPKS-NRFANRHFSA-N 417.513 3.844 0 1 HHAF CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)n[nH]1 201316853 UOZNOQSGMACPCZ-UHFFFAOYSA-N 417.473 3.928 0 1 HHAF COc1cc([C@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc(OC)c1OC 238745127 ONDWGDNAFRAXCN-UGCQDJOBSA-N 400.427 3.516 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F 261189954 YTSQUJOXQNTPEU-IGQOVBAYSA-N 415.914 3.620 0 1 HHAF CCN(C)C(=O)Oc1cccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)c1 299859197 FKSWSBYNXYVTPP-UHFFFAOYSA-N 413.426 3.936 0 1 HHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)C(C)C 586932176 BVXUFRRTVOSDEH-CYBMUJFWSA-N 406.321 3.881 0 1 HHAF Cc1c(-c2nc3c(Br)ccnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073142 CRVTUIRNVYERLI-UHFFFAOYSA-N 403.671 3.989 0 1 HHAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 587239137 IKELNZQGVPVKAT-PTPDTQQLSA-N 402.495 3.522 0 1 HHAF Nc1ncc(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)cn1 587254501 KFYAOBJYBMZYSK-UHFFFAOYSA-N 410.231 3.730 0 1 HHAF CC1=C(c2ccc3nc(COc4cccc(OCC(C)C)c4)[nH]c3c2)NNC(=O)C1 587566087 UAFNHFVHGOPHKJ-UHFFFAOYSA-N 406.486 3.932 0 1 HHAF COC(=O)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591877 ICLXDWGTWZJIRH-RDPSFJRHSA-N 404.418 3.898 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)O 587595908 PTZIRWGREOZZMB-NZQKXSOJSA-N 422.389 3.567 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 587745027 TYHDXPNKWMGHPD-VZSAFFHGSA-N 421.314 3.593 0 1 HHAF CCOC(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587771703 CJWZWIGLLVBWHV-HXPMCKFVSA-N 407.283 3.714 0 1 HHAF COc1ccc(C)cc1C(=O)CCc1nc2cc(I)cnc2[nH]1 587787853 RUHRWWWUNTVOIS-UHFFFAOYSA-N 421.238 3.695 0 1 HHAF COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805551 HKVFQUCVSGKGIS-FKIZINRSSA-N 420.278 3.764 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCCN(C)C 587867022 UMDDGZVJIHTPJK-UHFFFAOYSA-N 400.470 3.642 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(Br)ccc2N2CCCC2)N1 962915180 UJMQGFBLAWUWHM-LPHOPBHVSA-N 419.294 3.877 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1cc(F)cnc1Cl 963132457 BJFRQJRDHLFSQV-RYUDHWBXSA-N 413.858 3.666 0 1 HHAF CC=Cc1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 2356399669 DCPVFFYMNRUMSC-RNODOKPDSA-N 404.459 3.961 0 1 HHAF O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)[C@H](N1CCCC1)S2 3006178 NASCEZCOTDWICI-HXUWFJFHSA-N 401.919 3.736 0 1 HHAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2Cl)cc1 13761810 COJVSUCMGPNJHG-UHFFFAOYSA-N 401.797 3.859 0 1 HHAF C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 13862661 PUQMBDFIIVFHRS-RNKIXQAJSA-N 414.505 3.739 0 1 HHAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C(=O)[C@@H](C)[C@@H](C)C2 15270939 BIOIJNOXHMOLAA-QWRGUYRKSA-N 400.427 3.825 0 1 HHAF biogenic COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C1=CC=CN(C(=O)Oc2ccccc2)C1 27720892 BDKARICMNGPTGI-ASBZNUFUSA-N 424.453 3.895 0 1 HHAF CCS(=O)(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C 45370116 FQUQVJCZFGUICL-PZJWPPBQSA-N 420.962 3.742 0 1 HHAF Cc1cccc(NC(=O)N[C@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 49605649 ZMUBIYUMHFIWON-OAQYLSRUSA-N 419.529 3.742 0 1 HHAF COC(=O)[C@@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82070896 HVFSUHTYLRXCJJ-SSDOTTSWSA-N 410.270 3.671 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@H]1CO 95878027 KMMNHBIWKUSVRI-IEXUWNMDSA-N 417.484 3.902 0 1 HHAF CN(Cc1ccccc1)C(=O)Cc1cn(CNc2ccnc3cc(Cl)ccc23)nn1 96934968 XBEUDQOXCMIGLQ-UHFFFAOYSA-N 420.904 3.750 0 1 HHAF C[C@@H]1CCC[C@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 118687375 KUQPGEGIXJVINV-SJORKVTESA-N 409.465 3.511 0 1 HHAF COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC(C)C 141949113 FONCQJLQDYUAIH-NVXWUHKLSA-N 421.497 3.996 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C34CC4)nn2-c2ccccc2)c1 169707283 HJZQBUUIAFEVQT-HXUWFJFHSA-N 414.509 3.957 0 1 HHAF O=C(NCc1ccc(Cl)cc1Cl)N1CC2(C1)CN(C(=O)c1ccccc1)C2 205429530 IIEIJDLGNPYPCX-UHFFFAOYSA-N 404.297 3.661 0 1 HHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCC[C@@H]1CO)C(=O)N2 219429078 KDQDHNOXXILEMY-DVECYGJZSA-N 403.482 3.611 0 1 HHAF COc1ccc([C@H]2C[C@@H](c3cc(O)c(OC)c(OC)c3)[C@H](OC)CO2)cc1OC 238762099 RBYCDKILRBFDGS-RRMPHLOHSA-N 404.459 3.687 0 1 HHAF CCS(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127415 UBAYRCXCRMKEET-UHFFFAOYSA-N 410.377 3.798 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3ccc(Br)cc31)O2 587371828 MYTUNYZODZPXNH-IBGZPJMESA-N 416.227 3.561 0 1 HHAF Cn1cc(I)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587509060 XGELFPCIKXXNQR-GOSISDBHSA-N 422.266 3.784 0 1 HHAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC 587749119 NEFUDZXAJXRJGZ-GIGQVBGESA-N 409.299 3.985 0 1 HHAF COc1ccc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCO4)cn2)cc1OC 618008053 JLLSTPOYMCVTCG-UHFFFAOYSA-N 409.442 3.670 0 1 HHAF CC(C)(C)OC(=O)[C@]1(C2=COCC2)NC2(CC2)Cc2ccc(Br)cc21 961616931 SENWKWJCIMUJQV-HXUWFJFHSA-N 406.320 3.969 0 1 HHAF CCS(=O)(=O)Oc1c([C@H](CC(C)=O)c2ccccc2)c(=O)oc2ccccc12 1911579876 ULLUOPDPJUJNCB-QGZVFWFLSA-N 400.452 3.633 0 1 HHAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(OC)cc2)c2ccc(OC)cc21 206033377 DTDJGLCZMCMMFD-QFIPXVFZSA-N 420.465 3.818 0 3 HHAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c1 768792 MTHVMGUDERWAMQ-PZJWPPBQSA-N 414.889 3.689 0 1 HHAF C[C@@H](c1ccon1)N(C)C(=O)c1ccc(-n2cc(NC(=O)c3ccoc3)cn2)cc1 14992847 OJESAWBTFJSCEF-AWEZNQCLSA-N 405.414 3.539 0 1 HHAF COc1ccc(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)cc1 29128338 HSMSMAGPIWGXBI-UHFFFAOYSA-N 403.467 3.852 0 1 HHAF CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3OC)nc1n2C 39982312 CDWBJFXTUOMPPY-UHFFFAOYSA-N 407.499 3.818 0 1 HHAF COC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3n2)CC1 43079909 JYDUVGYVGMGTOV-UHFFFAOYSA-N 411.546 3.737 0 1 HHAF CCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 43176090 GCKDAWXMADDMLK-UHFFFAOYSA-N 421.925 3.813 0 1 HHAF O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1)N1CCCC1 59114246 RBZZHYUAZBYTMD-UHFFFAOYSA-N 417.553 3.684 0 1 HHAF O=C(NCCCSc1nc2ccccc2s1)NC(=O)NCc1ccccc1 64540876 ZYPCHEWGAZRTNV-UHFFFAOYSA-N 400.529 3.988 0 1 HHAF CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1C 96167851 PTWWIIXDTKUDRR-UHFFFAOYSA-N 408.465 3.598 0 1 HHAF CC(C)NC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96939131 PXYTTWPKWBWEHH-QGZVFWFLSA-N 406.529 3.898 0 1 HHAF COc1ccc2c(n1)[C@@]1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 103200271 KFNVAIUTZXCDKO-FQEVSTJZSA-N 416.355 3.927 0 1 HHAF COC(=O)CCS(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1C 115232728 TZPBUEWFYOEUQT-UHFFFAOYSA-N 409.451 3.861 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1Cl 143507883 ROVPPJCAODUFRF-UHFFFAOYSA-N 424.885 3.621 0 1 HHAF O=C1C[C@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)CN1 169706965 KHMAGJUWQPMEFW-AWEZNQCLSA-N 414.387 3.633 0 1 HHAF Cc1cnc(C[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1 199435521 NAXNIDHYOPWZOF-KRWDZBQOSA-N 409.559 3.690 0 1 HHAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@@H](C)[C@@]12O 238741608 XFMQQRAGUVWJNG-MIMHXTIBSA-N 416.558 3.988 0 1 HHAF CC(=O)OC[C@@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@H]12 238741982 DVILVCNQCLDLLF-BBLYKFSSSA-N 418.530 3.855 0 1 HHAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@H]1c1cccc2c1OCCO2 299839471 RZSRKLMNFSWHRQ-AWEZNQCLSA-N 412.389 3.512 0 1 HHAF CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1 299857671 OSEPHVATBHBOQF-UHFFFAOYSA-N 424.497 3.539 0 1 HHAF CCCCS(=O)(=O)N[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C 586932844 JRDCGGHRDIVBJG-LLVKDONJSA-N 423.764 3.790 0 1 HHAF O=C1COc2cc3[nH]c(Cc4csc(NC(=O)Nc5ccccc5)n4)nc3cc2N1 587018831 BBXXZELHPFFPPW-UHFFFAOYSA-N 420.454 3.585 0 1 HHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 587123227 HGMPUAUPGVGVGQ-MEDUHNTESA-N 408.428 3.674 0 1 HHAF COC(=O)[C@@H]1Cc2c(nc3cccc4c3c2CC4)CN1C(=O)OCc1ccccc1 587213291 VEJKAMOIIPAHFM-NRFANRHFSA-N 402.450 3.570 0 1 HHAF CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341589 JWWGEFBZJGGJFW-OFNKIYASSA-N 424.428 3.565 0 1 HHAF COc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345738 GKHIXYXOHGEAEX-OFNKIYASSA-N 405.381 3.746 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)O2 587382768 RZIGFSURRJXSNP-QGZVFWFLSA-N 408.376 3.823 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O 587430540 VHWUSVVXRLAFPT-SGXKBVARSA-N 424.497 3.590 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)[nH]c4ccc(OC)cc4c1=O)[C@@H](C2)C3=O 587434919 AJDRYAWFWKUGPO-DFBJGRDBSA-N 419.477 3.993 0 1 HHAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589355 UVMKALZHHBSTJO-YZVOILCLSA-N 409.438 3.876 0 1 HHAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C=O)c1 587591603 HGTVEORUTDQFAM-DENIHFKCSA-N 404.374 3.694 0 1 HHAF CCOC(=O)Cn1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587760405 YIIJMPKFRHPJLR-APBUJDDRSA-N 424.314 3.588 0 1 HHAF COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812369 ZSBRDRDQBFIDKC-FKIZINRSSA-N 422.294 3.938 0 1 HHAF CC(C)Oc1cc(C(=O)Nc2cc(-c3ccccn3)[nH]n2)cc(C(=O)N2CCCC2)c1 653802052 PKHJNJGRWJOGTL-UHFFFAOYSA-N 419.485 3.747 0 1 HHAF O=C(C[C@@]1(c2ccccc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21)C1CC1 962662567 IJACLRCMSDYLLO-FTJBHMTQSA-N 414.505 3.946 0 1 HHAF CC(=O)Oc1ccc([C@@]2(c3ccccc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963025379 JXCKSSUQYWWUBV-WXTAPIANSA-N 412.489 3.957 0 1 HHAF CC[C@]1(c2ccc(F)cn2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963144961 MSRKSTGPXVJUBN-DJJJIMSYSA-N 407.467 3.577 0 1 HHAF C[C@@H]1C2(CCCC2)NCC[C@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963152407 UXMDLMHIMWVIAV-VWVPQACVSA-N 421.563 3.527 0 1 HHAF Cc1c(O)ccc2c1[C@H](c1cc(C(F)(F)F)nc3ccccc13)N[C@H](C(=O)O)C2 963487876 FDYCXYMFKYUOBI-KXBFYZLASA-N 402.372 3.956 0 1 HHAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@@H](CN3CCC(C(N)=O)CC3)C=C2C)o1 2356300327 HLXGWSOHXLNXQT-ZCNNSNEGSA-N 402.583 3.617 0 1 HHAF CC(C)(C)OC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)OC(C)(C)C 2356610734 WGCSCXRHTHRBMB-LJQANCHMSA-N 413.514 3.941 0 1 HHAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2ccc(OC)cc2)=NO1 61959396 XQOIOVDZKFLYBP-IBGZPJMESA-N 405.454 3.929 0 3 HHAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC 777201 PAXXFSGTLLZQJP-CZUORRHYSA-N 404.507 3.793 0 1 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1 4048910 GHTDULPCNUWFAT-ISKFKSNPSA-N 421.541 3.779 0 1 HHAF O=C1C[C@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 13382665 BRPIOKDBXKCDNY-SJLPKXTDSA-N 418.401 3.951 0 1 HHAF biogenic O=C1NC[C@H](c2c[nH]c3ccccc23)N[C@@H]1c1c[nH]c2cc(Br)ccc12 15266950 LQTWCUFHWBBBGT-RTBURBONSA-N 409.287 3.914 0 1 HHAF biogenic CCN(CC)C(=O)c1ccc([C@H](c2cccc3cnccc23)N2CCNCC2)cc1 22939844 WAXHVFCFNPHKLK-XMMPIXPASA-N 402.542 3.711 0 1 HHAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CC(F)(F)C4)ccc32)cc1 28818070 AUMQJULFKZREJZ-QFIPXVFZSA-N 402.485 3.992 0 1 HHAF CCOC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044402 LGNNPMLVSVGWSH-SECBINFHSA-N 410.314 3.713 0 1 HHAF CCCCc1ccc(CN(CCCOc2cccc(C(=O)O)c2)S(C)(=O)=O)cc1 43076447 SCRPHQKECRGPDJ-UHFFFAOYSA-N 419.543 3.958 0 1 HHAF CCCCOCCCNC(=O)[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C 82069999 SEOSMZHZIJVIAG-FQEVSTJZSA-N 415.534 3.727 0 1 HHAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1coc(-c2cccs2)n1 82080912 DRAHYFSELQFNED-KRWDZBQOSA-N 409.511 3.757 0 1 HHAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCc3ccccc3C)ncnc21 82180280 BFEKBNQVWHLDCM-UHFFFAOYSA-N 406.534 3.931 0 1 HHAF O=C(C1CCCC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196084 JPCNZJMWKVZBRV-UHFFFAOYSA-N 422.451 3.629 0 1 HHAF CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CCN1CCC[C@H](c2ccccc2)CC1 84726329 IFKJVOINCUWUAV-XUZZJYLKSA-N 419.569 3.692 0 1 HHAF COc1ccccc1Cn1c(-c2cccnc2N)nc2cc(Br)cnc21 95575750 KLGUFBUNFCWCRG-UHFFFAOYSA-N 410.275 3.895 0 1 HHAF O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 95591121 LLVALEUPUXIQNY-KRWDZBQOSA-N 413.320 3.690 0 1 HHAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCc2ccccc2)C[C@@H]3[C@@H]1C5 100755257 KNIGTFRSJKNFFO-ZZRSLQMESA-N 403.522 3.689 0 1 HHAF Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@@H]4C[C@@H](C[C@@H]1C4)C[C@H]23 102915402 YZXGXCSVJCWIGP-KUQAKGEISA-N 409.574 3.661 0 1 HHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@H]3CC(=O)NC3=O)cc1)O2 142839904 ZFMLMSWJWJBTEO-BVZFJXPGSA-N 423.509 3.685 0 1 HHAF CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@@H]3[C@@H](C)CC[C@H]3[C@H](C)[C@]12O 143163087 QRUZTMJNZQJLOO-JFIREUBISA-N 416.558 3.990 0 1 HHAF O/N=C(\Nc1ccc(F)c(Br)c1)c1nonc1NCc1ccccc1 143260386 XTEBFDOOXBYXAZ-UHFFFAOYSA-N 406.215 3.831 0 1 HHAF CC1=C[C@@H]2/C=C(\C)CCC[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C 169290233 HXVGXVHKKDWYHZ-AHTXBYLXSA-N 401.547 3.689 0 1 HHAF O=C1/C(=C/N2CCSCC2)N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N12 169319686 PTZUHFYRZDICIK-JXAWBTAJSA-N 422.941 3.826 0 1 HHAF O=C(NCc1cccc(C(F)(F)F)c1)c1ncnc2c1cnn2-c1ccc(F)cc1 198727211 UBIALUWJFOWIHY-UHFFFAOYSA-N 415.350 3.903 0 1 HHAF O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 206370153 WRAZIYPPSMIXLK-JLHYYAGUSA-N 424.497 3.525 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)c1ccccn1 219769114 WBHXUEAXCYZFRF-GOSISDBHSA-N 406.421 3.668 0 1 HHAF Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cccc(C(F)(F)F)n4)ccc23)cn1 221615717 QWOVZBZISYLEBC-UHFFFAOYSA-N 411.387 3.739 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H](C)CN(C)C 299873715 AFAMMXDWWMBOQI-URZJWIJPSA-N 419.566 3.784 0 1 HHAF N[C@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Br)c2[nH]1 586984147 NFEAKGBROIMKTF-SNVBAGLBSA-N 414.076 3.865 0 1 HHAF O=C(O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002021 RQYQSBBBLLINDT-DAFODLJHSA-N 401.216 3.965 0 1 HHAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(Br)cc1F 587144872 QJEUKADPNSNZTA-ZDUSSCGKSA-N 403.255 3.592 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471925 XHGQGNYHUCBTNG-DJKDLEHESA-N 419.518 3.998 0 1 HHAF Cn1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587546000 NHCMKWIAVBYOHH-KDOFPFPSSA-N 401.216 3.591 0 1 HHAF Cn1cc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cn1 587612237 LKVULDJBPMNPAU-XLIONFOSSA-N 405.435 3.952 0 1 HHAF Cc1nn(C)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1Cl 587653521 INORDYJYLLBXBA-UHFFFAOYSA-N 414.799 3.726 0 1 HHAF Cn1ccc(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)n1 587656750 MNJGEVIBNGBAAX-UHFFFAOYSA-N 416.391 3.521 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 587760098 XAHHEMWCLCAOOR-YBTHPKLGSA-N 416.294 3.652 0 1 HHAF CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587766710 WNAUIQZVYJTUEF-HXPMCKFVSA-N 424.314 3.536 0 1 HHAF CCOC(=O)CC[C@@]1(c2ccccc2SC)c2ccsc2CCN1C(N)=O 962718123 YOYLBJFTQVUMSQ-HXUWFJFHSA-N 404.557 3.994 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cn3ccnc3)cc2)N1 962974982 XDPIOXMGPAXFBB-LPHOPBHVSA-N 403.816 3.551 0 1 HHAF O=C(N[C@H]1CC[C@@H](c2ccccc2)CC1)C1=C(O)C(=O)N(CCCC(F)(F)F)C1 1772645710 DPNKPVNCHXBAJH-IYBDPMFKSA-N 410.436 3.826 0 1 HHAF COc1cc(C=CC(=O)OC[C@@]2(C)C=Cc3cc(C(C)=O)c(O)cc3O2)ccc1O 2356739076 ZJVPLJKPUGZFOZ-HSZRJFAPSA-N 410.422 3.730 0 1 HHAF COC(=O)[C@@H]1CC2=C(CN1Cc1cccs1)N(Cc1ccc(Cl)cc1)[CH]N2 2356855623 DVMMDNIFCZJQGO-SFHVURJKSA-N 402.927 3.585 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)O[C@H]1CO2 3197723 MTTUVGLGBORPBI-OALUTQOASA-N 410.422 3.714 0 3 HHAF biogenic,in-vitro COc1ccccc1CNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1 205228004 ORARXLMWMLOCRJ-UHFFFAOYSA-N 409.486 3.627 0 3 HHAF COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)c1 767490 QOJSVWMGYBSFEF-FYYLOGMGSA-N 420.465 3.748 0 1 HHAF COC(=O)[C@H]1Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2OC1=O 3819443 JRQPPTMEDCUEQR-GOSISDBHSA-N 407.422 3.522 0 1 HHAF Nc1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1 5934166 JZUOZVFRPLKQLG-UBFVSLLYSA-N 415.537 3.768 0 1 HHAF N=C(N)N1CCc2ccc(OCC3CCN(c4ccnc5ccccc45)CC3)cc2C1 12355155 WQVKYLFBJMWDHZ-UHFFFAOYSA-N 415.541 3.782 0 1 HHAF CCc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O 13738176 HUJCZKNTSFAMTH-UHFFFAOYSA-N 414.266 3.515 0 1 HHAF CN(Cc1ccco1)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 13802492 RDALYWMMMJWHCL-UHFFFAOYSA-N 418.545 3.871 0 1 HHAF CS(=O)(=O)c1ccc(-c2nc(NCc3ccncc3)cc(C(F)(F)F)n2)cc1 29132294 HXBWERLLHVXHGD-UHFFFAOYSA-N 408.405 3.573 0 1 HHAF C[C@H]1CN(C(=O)C2CCCCC2)CCN1S(=O)(=O)c1cccc2ccccc12 40423869 HHPMEXAKTRNDQM-KRWDZBQOSA-N 400.544 3.642 0 1 HHAF COc1ccc(-c2nc3cc4ccccc4nc3[nH]2)c(OC[C@@H](O)CNC(C)C)c1 45187590 JNRMQCQMGQFRAN-INIZCTEOSA-N 406.486 3.524 0 1 HHAF O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)Cc1ccc(OCc2ccccc2)cc1 45352965 RBPSUSGZEBUPLW-QHCPKHFHSA-N 412.489 3.678 0 1 HHAF O=C(O)CC[C@H](O)c1ccc(OCc2cccc(I)c2)cc1 45495950 BSFKWDNGZHWVEL-INIZCTEOSA-N 412.223 3.768 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1 66104904 JKYLHNIPTDCTPH-UHFFFAOYSA-N 413.537 3.539 0 1 HHAF CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 72318522 UIDFTBVOAOGUDZ-RWYNZKLVSA-N 405.542 3.935 0 1 HHAF COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3-n3cccn3)c2=O)cc1 73242953 AJCYLVWAVMALMD-UHFFFAOYSA-N 408.845 3.932 0 1 HHAF CCN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82219491 GNSMBZNZMKAQKG-UHFFFAOYSA-N 402.498 3.739 0 1 HHAF O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O 100076061 UIOUHBZSRHLNCJ-IBGZPJMESA-N 405.498 3.559 0 1 HHAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(C1COC1)CC3 147564404 HXZQDUFGUBMFPX-UHFFFAOYSA-N 403.887 3.676 0 1 HHAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)[C@H](O)c1ccccc1 164752779 LATBTIVUYJOACZ-OAQYLSRUSA-N 410.437 3.687 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(c3cccc(F)c3)C2)n1C 166026411 JEBLLBOUXXZBPR-KKSFZXQISA-N 413.522 3.673 0 1 HHAF CC(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(I)cc1 169368453 FCQURNVPSIDFJC-JDXBCJTASA-N 423.294 3.720 0 1 HHAF C[C@H](N)C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710692 KOCKGXFQKPFZIS-LIRRHRJNSA-N 409.511 3.965 0 1 HHAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc(OC)c1)[C@@H]23 299835764 LMKALWWMOWSEAF-YJRNTSOCSA-N 400.563 3.713 0 1 HHAF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 299887946 ZQRSSZKSSSIKFV-HKAUBZDHSA-N 413.470 3.799 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 586945613 JIVOTIHAKOLCFL-UHFFFAOYSA-N 411.483 3.760 0 1 HHAF COC(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018473 CRTLKBDODLOZBL-UHFFFAOYSA-N 407.451 3.835 0 1 HHAF COc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC 587375673 FDQWVZGHEZTZII-AWEZNQCLSA-N 408.248 3.769 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCc2scnc2C)c2ccccc21 587413166 NAWMBDHURDJYAG-QHCPKHFHSA-N 419.506 3.792 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(C)=O)CC3)cc1)CC2=O 587473992 DOZHMYQNCZPKFS-HSZRJFAPSA-N 408.498 3.720 0 1 HHAF COc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595400 NKIQRCJWQUJRIA-NZQKXSOJSA-N 422.389 3.567 0 1 HHAF CN1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587596554 RRAKOJGSMRUDBI-RDGATRHJSA-N 416.477 3.847 0 1 HHAF Cn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cn1 587622087 WWALYPAIIMPTRB-UHFFFAOYSA-N 412.169 3.952 0 1 HHAF COc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(O)c1 587655868 GLRLPALWKBRVJA-UHFFFAOYSA-N 408.360 3.744 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccn2C)(C2CCOCC2)N1 587753844 JYNFSQRIVKFMFW-HXPMCKFVSA-N 408.315 3.526 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757129 NBCRGANIZBSSSR-GAMFODHLSA-N 421.358 3.792 0 1 HHAF COC(=O)CCn1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587758517 QHDOBGWGBCRQEP-APBUJDDRSA-N 424.314 3.588 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)NC(=O)CO3)N1 587796604 QGJQNMDZCFLKLG-APBUJDDRSA-N 405.267 3.717 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587833905 IIQHAMJAKPYEJN-XLFHBGCDSA-N 422.250 3.777 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1 587860264 SHLDZCDLRVMNEM-GUYCJALGSA-N 410.301 3.759 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1n[nH]cc1Br 587860783 CLDNILWJUOSMIY-UHFFFAOYSA-N 415.169 3.752 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@@H]1CCS(=O)(=O)C1 587861199 MULGKDKOKWEAGM-NSHDSACASA-N 417.314 3.721 0 1 HHAF Cc1cc(C)n(C[C@H](C)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)n1 587923625 BANCRLQBIJEABP-ZDUSSCGKSA-N 404.561 3.823 0 1 HHAF CN(C)CCNC(=O)c1cccc(-c2nccc3[nH]nc(Cc4ccc(F)cc4)c23)c1 618004625 QLAZOYRPNSMRHP-UHFFFAOYSA-N 417.488 3.646 0 1 HHAF CN1CCC(c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)CC1 1857587347 YESVBHZXBSTRGV-UHFFFAOYSA-N 407.514 3.984 0 1 HHAF COc1cc2c(cc1OCCCC(=O)Nc1ccccc1)N=C[C@@H]1CCCN1C2=O 1857596913 MWNNLGIIBZCUIM-KRWDZBQOSA-N 407.470 3.813 0 1 HHAF Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1cc(C(F)(F)F)cc(O)n1 1857612700 XKJXBHODDIJKMU-UHFFFAOYSA-N 422.329 3.715 0 1 HHAF O=C(O)CSC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 1857648197 WBLYQLWKWFQVJD-KRWDZBQOSA-N 416.886 3.507 0 1 HHAF COC(=O)[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C(=O)O)[C@@H]3Cc4occc4[C@H](C)[C@H]3CC[C@@H]12 2356486438 RZUPNWIKIOESCU-CGNLFIIJSA-N 418.486 3.557 0 1 HHAF COc1cc2nc(NC[C@@H]3CCCO3)n3nc(-c4ccccc4)nc3c2cc1OC 6805506 CBGFXGBHHASUCY-HNNXBMFYSA-N 405.458 3.553 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2nsc3ccccc23)CC1 12356353 IQFSIQRNTBHQDE-UHFFFAOYSA-N 424.570 3.637 0 1 HHAF CS(=O)(=O)c1ccc(-c2cnn(CC(F)(F)F)c(=O)c2-c2ccccc2)cc1 13487662 ZKTVARMORRKSIG-UHFFFAOYSA-N 408.401 3.543 0 1 HHAF CCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13736744 JASVAUNATQDFDG-UHFFFAOYSA-N 411.469 3.573 0 1 HHAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(C(F)(F)F)cc12 13860802 CTKMQBFIBUFXMB-UHFFFAOYSA-N 419.384 3.700 0 1 HHAF CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)C1=O 15956497 ZCRFGWPAEVEWJZ-DENIHFKCSA-N 407.901 3.916 0 1 HHAF biogenic COc1cc2c(cc1OC)[C@@H](CN1CCN(c3ccc(F)cc3)CC1)OCCC2 27730990 JKMCWTUGHVWHSW-HSZRJFAPSA-N 400.494 3.669 0 1 HHAF O=C(O)CCCCCCc1cnccc1CCNS(=O)(=O)c1ccc(Cl)cc1 29392350 QKGJCNVQDUZNHR-UHFFFAOYSA-N 424.950 3.834 0 1 HHAF COc1cc([C@]2(C)C3=C(COC3=O)Nc3cc(Cl)ccc32)cc(OC)c1OC 40899555 ZQAKLRZMZWMHDW-NRFANRHFSA-N 401.846 3.908 0 1 HHAF Cc1sc(C(=O)N[C@H](CN)Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C 43197672 ZEESWPRDQGWOMU-AWEZNQCLSA-N 406.914 3.549 0 1 HHAF COC(=O)c1ccc(OC)c2oc(C(=O)Nc3ccc(Cn4ccnc4)cc3)cc12 45365454 URWZCDKKGCYCKY-UHFFFAOYSA-N 405.410 3.725 0 1 HHAF CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2cccc(CC)c2n2nnnc12 49066884 CHEGQMUQQSWRNK-GOSISDBHSA-N 406.379 3.668 0 1 HHAF COc1ccc(-c2nnc3ccc(-c4cccc(C(=O)N(C)C)c4)cn23)cc1OC 82079060 NVXBXOMYDGEHNP-UHFFFAOYSA-N 402.454 3.782 0 1 HHAF O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc3cccnc23)C1 95565079 PTUZVOUUWJICSQ-UHFFFAOYSA-N 407.836 3.942 0 1 HHAF CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CCC2)CC1=O 100995487 WGGZGLFJLLBHIR-XBZNOJLSSA-N 411.542 3.522 0 1 HHAF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)no1 103248946 GZRSQXWGTRMGFV-UHFFFAOYSA-N 405.863 3.618 0 1 HHAF CN(C(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F)c1ccccc1 103264703 RQOKEPXVCZMNKN-LJQANCHMSA-N 420.510 3.599 0 1 HHAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC)C1c1[nH]c(CC)nc1Cl 103291037 FSKBWIRISDKKEP-UHFFFAOYSA-N 409.914 3.767 0 1 HHAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](COc3ccc(F)cn3)CCC[C@H]2C)c1 118685496 XFVPZBSOZQCWGS-MSOLQXFVSA-N 423.492 3.820 0 1 HHAF C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 144485499 LLFCILRAOFIEHK-CQSZACIVSA-N 422.522 3.751 0 1 HHAF CC[C@@H](C)NC(=O)C1CCN(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167436732 XZXBYKYSFJYHKH-QGZVFWFLSA-N 421.545 3.760 0 1 HHAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCCN1CCCCC1 169302775 UFFYJUZFFYYLGA-UHFFFAOYSA-N 401.507 3.601 0 1 HHAF CC1=N[C@@H](c2ccccc2)c2cc(Cl)ccc2-n2c1nnc2N1CCN(C)CC1 169316128 YZBJNKWCYLRXDC-FQEVSTJZSA-N 406.921 3.585 0 1 HHAF COc1cc(C(=O)O[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H](C)C(C)=O)ccc1O 299835595 WTOZMYXNPGKFFH-MPBGBICISA-N 418.442 3.550 0 1 HHAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)c1C 586947334 MIFMKZUTEORUIL-UHFFFAOYSA-N 407.499 3.812 0 1 HHAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)ccc2F)cc1 587139680 PXNHWIUVDYVTBK-UHFFFAOYSA-N 409.442 3.886 0 1 HHAF C[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199937 RJKJDJOLEDOQRG-ZDUSSCGKSA-N 414.469 3.659 0 1 HHAF C[C@]1([C@@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582183 YNKDTBXTDAQAEA-JZWVFAODSA-N 418.405 3.886 0 1 HHAF CC(=O)Nc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655601 ARMUBUBARXRKKA-UHFFFAOYSA-N 419.387 3.989 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 587844798 PBCUPVGQZGNBHH-ZMZPIMSZSA-N 410.308 3.543 0 1 HHAF COCCCNc1nc(C)c([C@]2(C)NCCc3cnc4c(OC)cccc4c32)s1 963049008 AELHFEQXAYQGTK-JOCHJYFZSA-N 412.559 3.866 0 1 HHAF CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCNC3)nc21 1772630097 DLDXMINZRQNSDI-CQSZACIVSA-N 400.918 3.550 0 1 HHAF C[C@H]1[C@@H]2C[C@]2(n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 1857613907 OLGBAZTXCHENFM-PIGKDAHTSA-N 412.493 3.929 0 1 HHAF COc1ccc([C@@H](O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857750000 JPAHCFYRZQKVCN-NRFANRHFSA-N 415.530 3.983 0 1 HHAF COC(=O)Nc1nc2ccc(OCc3nnc(S)n3-c3ccccc3)cc2s1 1857774015 NGMFUVIGUGSRKA-UHFFFAOYSA-N 413.484 3.923 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](O)[C@@H]1[C@@](C)(COC(C)=O)CCC[C@@]12C 2356413229 SPCSGPZOUMTYFD-OESRZTOOSA-N 408.535 3.554 0 1 HHAF COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cccc(C)c1 11874107 AYFOAZNGEKPFOR-NRFANRHFSA-N 406.570 3.963 0 3 HHAF CCC(CC)C(=O)Nc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1 100446821 YBXMBSGGLIBWLO-UHFFFAOYSA-N 401.470 3.946 0 3 HHAF COc1ccc2c(c1)c(CNC(=O)N(C)O)c(C)n2C(=O)c1ccc(Cl)cc1 604146 SJAYKBDANOQLLK-UHFFFAOYSA-N 401.850 3.831 0 1 HHAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N23)cc1 6762247 QQEXNVZJBRPZLC-QPPBQGQZSA-N 417.509 3.517 0 1 HHAF biogenic C[C@H](O)[C@@H](CO)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528314 LORFCRZQKHJHLR-QMHKHESXSA-N 409.505 3.804 0 1 HHAF CCc1ccc(S(=O)(=O)NCc2cccc(NC(=O)c3cccc(OC)c3)c2)cc1 28891421 JJKGUZSHYBCKHF-UHFFFAOYSA-N 424.522 3.988 0 1 HHAF CCOc1c(C(=O)Nc2nn[nH]n2)oc2c3cc(OC)ccc3n(-c3ccccc3)c12 29394127 FQUMPJZPUCNMHI-UHFFFAOYSA-N 418.413 3.549 0 1 HHAF CCO[C@@H](Cc1ccc(OCCN2c3ccccc3O[C@H]3C=CC=C[C@@H]32)cc1)C(=O)O 34232358 ACYMEKQXUVUFGC-SSPYTLHUSA-N 421.493 3.860 0 1 HHAF in-vitro O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cccc(N[C@@H]3CCCNC3)c12 35277699 BXPQNWCRFGOEAW-MRXNPFEDSA-N 406.511 3.713 0 1 HHAF CCNC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4n3C)cc2)C1 72126104 OEAMUBIYDWCZGZ-MSOLQXFVSA-N 419.529 3.691 0 1 HHAF N[C@@H](COCc1ccccc1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 84739896 ONBMKUYMFODTNV-ZDUSSCGKSA-N 411.405 3.678 0 1 HHAF CCCOCCOC(=O)C1=C(C)NC=C([N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 95577145 LVVGAURCDWMWKV-QGZVFWFLSA-N 414.380 3.754 0 1 HHAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC2CC2)C3)cc1 95794593 WIRPZPJPWJZWAM-JWPLGAMDSA-N 422.491 3.813 0 1 HHAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(CC5CC5)CCCCN4[C@H]3CO)cc2)c1 95875592 IAOUQVOLJYGUBM-ZNZIZOMTSA-N 406.570 3.997 0 1 HHAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F 95893319 ZOWVXJIKOIIXAG-VJBWXMMDSA-N 422.500 3.722 0 1 HHAF FC(F)Oc1ccc(-c2nnc3cncc(CCN4Cc5ccccc5C4)n23)cc1 103303078 GQXSFCDTPDFAAJ-UHFFFAOYSA-N 407.424 3.951 0 1 HHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3cccc(F)c3)no2)n1 142075836 SWVNLHJTZWNLJF-SWLSCSKDSA-N 412.425 3.820 0 1 HHAF CN(C)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144816039 FQBXVEZVOWTPFO-HXUWFJFHSA-N 401.388 3.568 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC(C)C)c3F)C2)cc1 169709863 PWFWJSDHGIMAAC-HNAYVOBHSA-N 401.482 3.863 0 1 HHAF O=C(Nc1ccn(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1)c1ccccn1 205444327 CRSBFFMGIUDUCN-UHFFFAOYSA-N 409.389 3.532 0 1 HHAF 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COCCOc1ccc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962731256 QVYQMEBGVNGSGO-UWJYYQICSA-N 423.431 3.630 0 1 HHAF CC(=O)N(c1ccccc1)c1nc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cs1 963030401 QTHWPZCLWVIMRP-QRQCRPRQSA-N 418.522 3.970 0 1 HHAF CCOC(=O)CC[C@]1(c2cc(C)cc(C)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030544 NXJOYZOYGVNVMN-AVRWGWEMSA-N 406.526 3.944 0 1 HHAF CC(C)COc1ccc(-c2cn(C)c3cc(C(=O)NS(C)(=O)=O)ccc23)cc1 1857562128 YTGONBDYWLEARV-UHFFFAOYSA-N 400.500 3.570 0 1 HHAF Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2ccn(C)c(=O)c12 1857595505 YDMOIQLEOJEWLY-UHFFFAOYSA-N 423.494 3.777 0 1 HHAF O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1 604739 DZKFKYARPPSLED-UHFFFAOYSA-N 407.461 3.973 0 1 HHAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCOC 4310533 IHHXWAXUQDBHTQ-SFTDATJTSA-N 406.523 3.870 0 1 HHAF Cn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3ccc(F)cc3F)nc21 13488577 KNAGKJXXNJFKSF-UHFFFAOYSA-N 416.338 3.804 0 1 HHAF COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)Nc1ccccc1 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Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 110651291 XNZBXPCHRMKLKI-DLBZAZTESA-N 423.494 3.893 0 1 HHAF O=C(Nc1cc2cccnc2cc1O[C@@H]1CC[C@@H](O)C1)c1csc2cncnc12 113651592 XPMRQKGHVCXNDM-ZIAGYGMSSA-N 406.467 3.784 0 1 HHAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713455 ZMAIFLOHRXCDQS-PEGPDNTESA-N 418.622 3.959 0 1 HHAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C3CC3)c2[nH]1 205650040 ROCQEWOLIOKMFT-UHFFFAOYSA-N 401.474 3.681 0 1 HHAF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2 213162445 XTAPWFPFCADWTR-MRXNPFEDSA-N 420.347 3.850 0 1 HHAF Cn1cc(N2C(=O)c3nn(C4CC4)cc3[C@H]2c2ccc(Cl)cc2)cc(Cl)c1=O 220400086 RQSRLTLIMDDPDM-GOSISDBHSA-N 415.280 3.973 0 1 HHAF CN1C[C@@H](c2ccccc2)N[C@@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 473233236 BXUSPFXZJNJHSM-UGKGYDQZSA-N 404.449 3.667 0 1 HHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586939444 OXKSBOZAJPADEE-MRVPVSSYSA-N 401.385 3.863 0 1 HHAF Cc1c(Cl)ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586946271 IOBKQPIDEUEKDE-AWEZNQCLSA-N 405.907 3.649 0 1 HHAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O 587421289 LLZQPYAVJIZDFE-SBUREZEXSA-N 422.868 3.661 0 1 HHAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl 587550849 CFIUFXLCTUFJEA-VQIMIIECSA-N 411.797 3.930 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc(Cl)cc12 587571118 PIPSACUKTOIXII-IERDGZPVSA-N 411.772 3.994 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 587768651 LPDWBSNZUDYPHV-ODXCJYRJSA-N 417.278 3.784 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(Br)cc1C(=O)O 963614545 XEQAOQKREANQRR-XTZNXHDOSA-N 406.276 3.788 0 1 HHAF CC[C@@H](NC(=O)c1cc(O)nc(N(C)C)n1)c1ccc(SC(F)(F)F)cc1 1772608541 GEDIOFTUVMVVFP-GFCCVEGCSA-N 400.426 3.741 0 1 HHAF COc1ccc(C(=O)[C@@H](C)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772619280 LTKVIRPRVBVHRN-JLCFBVMHSA-N 419.543 3.973 0 1 HHAF C[C@H](CO)CCC[C@H](C)[C@H]1[C@H]2CC[C@@H]3[C@@H]4CC[C@H](O)C[C@@H]4C[C@@H](O)[C@H]3[C@@H]2C[C@H]1O 2356426672 FSTVCFLDBGZBCG-QPHUXWPSSA-N 408.623 3.602 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2cccnc2)CC[C@]1(C)O 2356742655 PVGRHWYGVBPSRC-SJBKTWHCSA-N 401.576 3.762 0 1 HHAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C(C)C)CC1 12437805 IRQYACHFLTWGHT-UHFFFAOYSA-N 415.534 3.988 0 3 HHAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1F 15077585 KGZRFGOPCJONER-HXUWFJFHSA-N 421.472 3.814 0 3 HHAF C(=C/c1ccccc1)\CN1CCN([C@H](c2nnnn2C2CCCCC2)C2CC2)CC1 72134171 XMQYFVMADPUJMD-KXOMFBTKSA-N 406.578 3.960 0 3 HHAF O=C(NCCc1ccccc1)OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 203462719 YXTVYFFVTAWPOB-UHFFFAOYSA-N 404.392 3.814 0 3 HHAF CCC[C@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041442 TVPZSLGWSKEYAI-FCIYXJNOSA-N 404.576 3.705 0 3 HHAF O=C(CCCN1CCN(CC[C@@H]2Cc3sccc3C2=O)CC1)c1ccc(F)cc1 22774885 AFYKQUVNHCGGNK-GOSISDBHSA-N 414.546 3.913 0 1 HHAF O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 28365640 WDOKPGCUULCOLP-LIUQAAIZSA-N 424.921 3.603 0 1 HHAF COc1cccc(CCCN2c3ccccc3N(C)S(=O)(=O)c3cccnc32)c1 28637654 PHYHKBOGZKHWGU-UHFFFAOYSA-N 409.511 4.000 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)CCc2ccccc2)[C@H]2CC[C@@H]1C2 29547022 IIGQPYXZVBRBKR-SUYCYMAFSA-N 405.560 3.764 0 1 HHAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C3(C(N)=O)CC3)cc2)S1)c1ccc(F)cc1 40865921 XZVYHDOKKMKZAQ-ZSEKCTLFSA-N 411.502 3.538 0 1 HHAF CN(C)[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 45357290 ADEIHMYSULIEAK-SFHVURJKSA-N 420.538 3.689 0 1 HHAF COc1cc(/C=C/CN2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)ccc1O 64002217 SBPHIISGPNTHQS-YMBOSHGCSA-N 418.493 3.785 0 1 HHAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCO 72107215 LQKATYXDKMSCCQ-GNYGEYGVSA-N 407.576 3.686 0 1 HHAF C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCc1ccccn1 82083825 NMDFHYCYWLSIHK-CYBMUJFWSA-N 415.902 3.763 0 1 HHAF O=C1Cc2cnc(Nc3cccc(N4CCOCC4)c3)nc2-c2ccc(Cl)cc2N1 82156913 OKFZXTFQSOFHTN-UHFFFAOYSA-N 421.888 3.872 0 1 HHAF CC(C)[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206607 ZRQQJAAVEOUVEJ-IBGZPJMESA-N 414.525 3.640 0 1 HHAF O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100106420 INBZNFDBKZJJFR-NUNAXRQHSA-N 408.498 3.621 0 1 HHAF COc1cccc2c1[C@]13CCN(CCc4ccccc4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 101252949 NWFRYEOZMKEEMS-SKBVVQJISA-N 405.538 3.944 0 1 HHAF CCOC(=O)CN(CCc1ccc(Br)cc1)Cc1ccc(OC)c(O)c1 103278916 QECWPZQJQFHYRL-UHFFFAOYSA-N 422.319 3.771 0 1 HHAF COc1cc(F)cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142334899 RTKGWBZRPFFWOI-RUDMXATFSA-N 412.442 3.714 0 1 HHAF COC[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C 148078069 GFAJQWCNDZLUDF-IBWPGLOJSA-N 423.483 3.807 0 1 HHAF CC1(C)CCC[C@H](Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)C1 216259374 ATOATKRVNBEGLJ-HNNXBMFYSA-N 424.538 3.731 0 1 HHAF COc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)c1 220184094 XWZMZBVOHKLWKQ-HXUWFJFHSA-N 404.466 3.700 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(OCC(C)C)ncc3F)C2)cc1 261137790 MLZWLTMFRWHLAO-HNAYVOBHSA-N 416.497 3.505 0 1 HHAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(CO)cc3[nH]1)C(=O)OC2 586916211 WWAPBVCUAOMQBG-YIXHJXPBSA-N 422.481 3.870 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587008567 YQNPFQFSNWGOFV-UHFFFAOYSA-N 405.277 3.662 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174739 KSYAQRWTQVGQAB-UHFFFAOYSA-N 400.479 3.805 0 1 HHAF CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 587347817 QHWHZBCIJSKYKX-SIKLNZKXSA-N 411.385 3.970 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349777 QOMQGAMHSGUOOQ-GWJPWWOOSA-N 412.413 3.561 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)O2 587375504 DGGSKYLWMKUSEI-BMLIUANNSA-N 420.259 3.898 0 1 HHAF CCOC(=O)[C@H]1Cc2c(nc(C)n2C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587516946 YAKRGTWWPGEOHA-UPCLLVRISA-N 408.498 3.594 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cnoc1)c1ccccc1O 587588293 SGAFHDSEQKQDFW-NFBKMPQASA-N 401.374 3.991 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595905 PTAFVMXZOBQIFT-OFNKIYASSA-N 406.390 3.867 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 587752056 BKQSVDRFYZGHGD-YUNKPMOVSA-N 415.310 3.730 0 1 HHAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1cccc(F)c1 653768360 MXMYPBWRSRAJJW-SFHVURJKSA-N 412.486 3.761 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1nccnc1NC(=O)OC(C)(C)C 963049879 BNBLTMKFXGQYPZ-QHCPKHFHSA-N 421.501 3.790 0 1 HHAF CN1CCc2c(Br)cccc2[C@]1(C)COc1ncn(-c2ccccc2)n1 963289899 RHMWPWGWBURQCN-FQEVSTJZSA-N 413.319 3.812 0 1 HHAF Cc1cn(C[C@H]2CCCN(Cc3ccc(Oc4ccccc4)cc3)C2)c(=O)nc1O 1772649512 WPSOMODVHVALEG-FQEVSTJZSA-N 405.498 3.962 0 1 HHAF CC[C@@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)c(F)c1 1772656494 DUYVXTUTYVRNHA-GFCCVEGCSA-N 412.343 3.739 0 1 HHAF CN(C)c1ccc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCCC3)cc2n1 1857599896 AHYTYKPDDJPJKK-UHFFFAOYSA-N 415.501 3.586 0 1 HHAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC)[C@@H](O)C[C@H]1OC(C)=O 2356495645 ZGDWNZMBIMUYME-KNOXWWKRSA-N 410.551 3.702 0 1 HHAF COC(=O)C1=C(C)N(C)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccc(Cl)cc1 199424321 YOBXLTLSMQOEJZ-HXUWFJFHSA-N 413.905 3.928 0 3 HHAF O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3ccccc3)C2=O)s1 205208908 JYCYZJVXPFQVHZ-UHFFFAOYSA-N 422.466 3.566 0 3 HHAF N=C(N)c1cccc(Cn2c(C(=O)NCC3CCCCC3)cc3c(O)cccc32)c1 3831845 MEWHXCGIANPHFE-UHFFFAOYSA-N 404.514 3.989 0 1 HHAF Cn1c(O)c(C(=O)C[C@H](Nc2ccccc2N)c2ccco2)c(=O)c2ccccc21 3846473 LKFOSUWCQQJZHR-KRWDZBQOSA-N 403.438 3.846 0 1 HHAF biogenic COc1cc(C[C@@]2(CCC(=O)NCc3cc(F)ccc3C)CCC(=O)N2)ccc1F 11971035 KWTMEGPMKBIONL-HSZRJFAPSA-N 416.468 3.570 0 1 HHAF O=C1N(CCC2CCN(C[C@H]3COc4ccccc4O3)CC2)CCN1c1ccccc1 12356426 QDSZCLOZPZIBJX-QFIPXVFZSA-N 421.541 3.871 0 1 HHAF COc1ccc(C2=NN(C3Cc4ccccc4C3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 13474123 CGAFBDBSTQEQKJ-LEWJYISDSA-N 402.494 4.000 0 1 HHAF COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c1 13598793 YUIOLTJERQAJEI-CXMDNEJTSA-N 414.461 3.505 0 1 HHAF CCCc1cc(O)cc(O)c1C(=O)Oc1c(OC)cc(CCC)c(C(=O)O)c1O 14695475 DMDOBFFDDKYHES-UHFFFAOYSA-N 404.415 3.634 0 1 HHAF biogenic COc1ccc(-c2cc(=O)c3c(O)cc(O)c(Cc4ccc(O)cc4)c3o2)cc1O 14811106 RLKXHEOCVARPBL-UHFFFAOYSA-N 406.390 3.882 0 1 HHAF biogenic O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 28861756 MKAGEBVRBXBJKL-UHFFFAOYSA-N 409.172 3.725 0 1 HHAF NC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1NC1CCCCC1 45334806 WPLUHATWMMJALB-UHFFFAOYSA-N 409.511 3.911 0 1 HHAF CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(F)cc2[C@@]3(O)c2ccccc2)CC1 45367590 SDXJIAFMDQSLKZ-RUZDIDTESA-N 418.468 3.603 0 1 HHAF COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]23[C@@H](OC)OC[C@H]13 139561296 WZCJEMNTJGERON-AEKUAFIYSA-N 422.562 3.959 0 1 HHAF N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 169338610 KDXHNAAPPFDXHV-UONOGXRCSA-N 423.908 3.878 0 1 HHAF COCCOc1n[nH]c2cc(NC(=O)NCc3ccc(Cl)c(Cl)c3)ncc12 209379084 YQXIROFDTZDYHN-UHFFFAOYSA-N 410.261 3.612 0 1 HHAF CCS(=O)(=O)c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 586922704 RJQJPFWGICDASD-UHFFFAOYSA-N 400.685 3.834 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587093699 QNNAMHUOWLOBLW-UHFFFAOYSA-N 416.450 3.530 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCN(C(C)=O)CC1)CC2=O 587476579 VQDOBUVUKNJIBE-QHCPKHFHSA-N 408.498 3.720 0 1 HHAF C[C@@]1(CC(=O)NCCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567966 AXEYXZADAVCTMV-DHLKQENFSA-N 417.461 3.862 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3cscn3)c(=O)c3ccccc23)c(O)c1 587669136 FTMPVNPTGWEVMJ-UHFFFAOYSA-N 420.494 3.760 0 1 HHAF COC(=O)CN1C=C[C@@]2(c3ccccc31)c1cccc(F)c1CCN2[C@@H]1CCSC1 962698026 CNCODFYJCCYEGA-OSPHWJPCSA-N 424.541 3.940 0 1 HHAF COc1ccc(C(=O)[C@@H](F)[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772589606 ZOVQGYYIWZWHNI-TZIWHRDSSA-N 423.506 3.675 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC[C@H](C(=O)NC(C)C)CC3)c2)c1 1772629855 SMXMOBXSZAUXNA-FQEVSTJZSA-N 408.546 3.769 0 1 HHAF COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1 1772638657 YHPRZUWLSLAIRG-KBPBESRZSA-N 409.408 3.881 0 1 HHAF C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ncccc1C1CC1 1772653060 XYOIOWOSNBCAPE-LIRRHRJNSA-N 405.424 3.921 0 1 HHAF CC=C(C)C(=O)O[C@@H](C)c1nc(C(=O)NC=CC(=O)OC)cc2c1[nH]c1ccccc12 2356713335 FYJIMBXWGFOPJQ-AWEZNQCLSA-N 421.453 3.703 0 1 HHAF COc1ccc(C(=O)N2CCC[C@@H](c3cc(C(=O)Nc4ccccc4)no3)C2)cc1 61930375 KLNUVNYBMVXFGR-QGZVFWFLSA-N 405.454 3.955 0 3 HHAF Cc1ccccc1N(C)C(=O)CN1CCN(c2nc(-c3ccccc3)cs2)CC1 203474774 YGLYGEIZCJFLEW-UHFFFAOYSA-N 406.555 3.904 0 3 HHAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@@H]1c1cn(C)c2ccccc12 4792911 AUNYQPIQUYZOSQ-ZEQRLZLVSA-N 424.504 3.800 0 1 HHAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180104 CXQNDQLUVBPTRK-UHFFFAOYSA-N 400.486 3.550 0 1 HHAF O=c1c(C(c2ccccn2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 95545658 AMVQKYZUUAAEMJ-UHFFFAOYSA-N 413.385 3.886 0 1 HHAF COc1cc(C(=O)c2nc3ccc(Br)cc3n2C)cc(OC)c1OC 95583079 NLIHTDNRROYMGS-UHFFFAOYSA-N 405.248 3.593 0 1 HHAF C[C@H]1C/C=C\C[C@H](c2ccc3c(c2)OCO3)NC(=O)[C@H](c2ccccc2)CC(=O)N1 95664172 HVIIOAJZRGDWQM-PTTRTECVSA-N 406.482 3.601 0 1 HHAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(CC5CC5)CCCCN4[C@H]3CO)cc2)c1 95875597 IAOUQVOLJYGUBM-UODIDJSMSA-N 406.570 3.997 0 1 HHAF COc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1 103245353 KFTIVGVPSYANIV-VXKWHMMOSA-N 420.509 3.876 0 1 HHAF C[C@H](NC(=O)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccccc1 103303011 MLKRVCDSVIMHCB-ZDUSSCGKSA-N 409.396 3.884 0 1 HHAF CC[C@@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 137492073 QALAJPXBDGLKOQ-LLVKDONJSA-N 418.954 3.626 0 1 HHAF Cc1nnc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)s1 145065642 ZFKMGSPKDCVGEG-VXGBXAGGSA-N 406.462 3.691 0 1 HHAF CCc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)c1 473137201 WOEHBGXNMWVBKR-LJQANCHMSA-N 405.527 3.529 0 1 HHAF CNC(=O)c1ccc2nc(Nc3cccc(O)c3)c(Nc3cccc(O)c3)nc2c1 474602473 BLTCLGKFOGJJGU-UHFFFAOYSA-N 401.426 3.888 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@@H]2CCCC[C@H]21 586962265 WEYFAWGGLBHXND-MAZHCROVSA-N 417.922 3.652 0 1 HHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586999806 CZWJWAXJSOMDLH-ZDUSSCGKSA-N 417.238 3.887 0 1 HHAF COc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Cl 587038934 VFEIKHIWYQIKMQ-SECBINFHSA-N 403.895 3.973 0 1 HHAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cc(N)ncc3[nH]2)cc1OC 587057180 ODNPOMZKCMEGMM-UHFFFAOYSA-N 423.860 4.130 0 1 HHAF O[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1Cl 587059584 SKVIGODHFOZJNN-NSHDSACASA-N 420.037 3.951 0 1 HHAF CN1CCN(c2ccc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)CC1 587113417 RVWYFACUBBZYRH-KRWDZBQOSA-N 403.452 3.576 0 1 HHAF COC(=O)c1cc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2cc1OC 587120905 ZINCFNXRMPXLNK-UHFFFAOYSA-N 408.258 3.786 0 1 HHAF CN1CCN(CCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587512922 GNYOENKHQWKZBL-RUZDIDTESA-N 420.553 3.898 0 1 HHAF CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3ccc4c(O)nc(O)nc4n3)c12 587563776 XDGDRYCQZGNUMG-LBPRGKRZSA-N 407.426 3.943 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cn2)N1 587682891 MDBIAHIAFRZBEE-GLEZIHRCSA-N 415.104 3.938 0 1 HHAF CC(C)c1nn(C)c2c1[C@@]1(CC(C)(C)CC3=C1[C@]1(C)CC(=O)N(C4CC4)[C@H]1O3)NCC2 962915539 AGLLTNKVMSRRJU-ZKMPZPQNSA-N 424.589 3.716 0 1 HHAF Cc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963024376 MZVLHQKENYCTRA-LOZVMHFJSA-N 404.510 3.793 0 1 HHAF COc1cc(Br)cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239641 XWAPVERYTAIDJV-RTBURBONSA-N 413.271 3.694 0 1 HHAF C[C@H](CO)NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772654521 PIGHXCFXIHFLAK-YBHKSSGVSA-N 413.481 3.983 0 1 HHAF CN=c1[nH]c2cnc(-c3ccc(OC)cc3C)cc2n1Cc1ccc(OC)c(OC)c1 1857597246 XMULNJZBPUDCKS-UHFFFAOYSA-N 418.497 3.944 0 1 HHAF CC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1I 1857631461 PAPJRDLRHQRHJM-UHFFFAOYSA-N 416.240 3.522 0 1 HHAF COc1cc(-c2cnc3c(N4C[C@H](C)O[C@H](C)C4)snc3c2)ccc1NC(C)=O 1911578205 ZYOGKVBRLPBVEK-BETUJISGSA-N 412.515 3.939 0 1 HHAF CC(C)NC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@@H]2[C@@H]1O 2356408671 LWROPTZCTLZFDI-OHJHSBFESA-N 408.627 3.891 0 1 HHAF CC=C(C)C(=O)O[C@H](COc1c2occc2c(OC)c2ccc(=O)oc12)C(C)(C)O 2356567374 QUSMURJIBTWAOP-OAHLLOKOSA-N 416.426 3.576 0 1 HHAF Cc1ccn2c(CN(C)CCn3nc(C)cc3C)c(C(=O)N3CCCCCC3)nc2c1 13636669 MZTPGOSPIMXYEZ-UHFFFAOYSA-N 422.577 3.604 0 3 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@H]3CCCC[C@H]32)cc1 169293274 VTLIPPAVXFMAOE-KPFFTGBYSA-N 405.541 3.988 0 3 HHAF Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12 2459695 MLPKPUGDQFYFEW-CQSZACIVSA-N 404.532 3.834 0 1 HHAF CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N[C@@H](C)c1ccc2c(c1)OCCO2 6797323 JTBXEAYLMCBRNQ-ZDUSSCGKSA-N 418.902 3.935 0 1 HHAF COC(=O)c1ccc([C@@H](/C=C/[C@@H](C)C(=O)N(C)C)NC(=O)OCc2ccccc2)cc1 7992685 UIZJWKFSENSXRW-ZOKKEOCXSA-N 424.497 3.721 0 1 HHAF CC(=O)N1CCc2ccccc2[C@@H]1c1c(O)nc(=S)n(Cc2ccccc2)c1O 8856691 GQBXFOYCEOKDFU-LJQANCHMSA-N 407.495 3.566 0 1 HHAF biogenic CCc1noc(-c2nnc3c4c(c(OCc5cccc(C)n5)nn23)C2CCC4CC2)n1 13580811 UKXDLKBYAPSHDL-UHFFFAOYSA-N 417.473 3.774 0 1 HHAF C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@@H](C)N1 13758892 GEPZFLWXFQXQJE-IYBDPMFKSA-N 405.477 3.801 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1 13824000 OGAWEZWHCWLAJP-UHFFFAOYSA-N 409.574 3.737 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccccc2)s1 36160116 YGVZBXDRZZDCFJ-ZWKOTPCHSA-N 401.528 3.754 0 1 HHAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4c(C)n[nH]c4c3)CC1)O2 49124705 SFTYVWKSSUOPMW-UHFFFAOYSA-N 405.454 3.520 0 1 HHAF CCNC(=O)Nc1cccc(-c2cc(NCCc3ccc(OC)cc3)nc(OC)n2)c1 66112123 VKXVHIWOFDKOPX-UHFFFAOYSA-N 421.501 3.957 0 1 HHAF Cc1cnc(NC2CCCCC2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 87613001 PQVAUMVCNJQZCK-OAQYLSRUSA-N 419.529 3.988 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4ccc5c(F)cccc54)ccc31)[C@H]1CC[C@H](C2)N1 100632596 UAMFLVKHUFKFFW-FZKQIMNGSA-N 409.486 3.858 0 1 HHAF Cc1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc(N(C)C)c1C 101297016 HVRQYIICIVLLPU-WKILWMFISA-N 403.477 3.591 0 1 HHAF C[C@@](O)(COc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 136045124 BZACFRRVAVMGJC-QGZVFWFLSA-N 400.303 3.624 0 1 HHAF Cn1ccc2cc(-c3nccnc3C3CN(c4ncc5ccccc5n4)C3)ccc2c1=O 139802166 UKIGMOSRQWLZER-UHFFFAOYSA-N 420.476 3.543 0 1 HHAF Cc1nc(N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc(-c2ccc3ccn(C)c3c2)n1 142177519 IAJLTOCSBPKSDN-CQSZACIVSA-N 421.526 3.764 0 1 HHAF CCCCCC1(CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)OC)OCCO1 142243742 ZGLOTLAAZRZYOR-XGGDBSTCSA-N 412.567 3.738 0 1 HHAF Cn1ncc(-c2nn(C)c3ncnc(N4CC(F)(F)C4)c23)c1-c1ccc(C2CC2)cc1 169706115 ATNFIPKAFIUZOM-UHFFFAOYSA-N 421.455 3.764 0 1 HHAF C[C@H]1c2ncn(-c3cnccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 218520896 CDRODBUPSNSSLM-NSHDSACASA-N 405.355 3.580 0 1 HHAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 261081928 BWGWYQWYXXYEFW-MXVIHJGJSA-N 415.578 3.649 0 1 HHAF CCOc1cc(CC(=O)O[C@H](C)C(F)(F)F)c(F)cc1OCC(=O)N(CC)CC 299841395 ZPGVOBIZGXOYBT-GFCCVEGCSA-N 423.403 3.508 0 1 HHAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Cl)nc2[nH]1 586945225 DISSLMZIRGZHDD-UHFFFAOYSA-N 410.933 3.880 0 1 HHAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)c1C 586947484 OQHDTJROZDWPQY-UHFFFAOYSA-N 419.510 3.932 0 1 HHAF Cc1onc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1COc1ccccc1Cl 587063300 KEHIDDMOMYJXDX-UHFFFAOYSA-N 407.821 3.734 0 1 HHAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(O)ncnc4[nH]3)c(Cl)cc12 587078644 YFPLNRNRUCXNLH-SECBINFHSA-N 400.822 3.911 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)nc12 587143887 MRVFFNLSIPVJNQ-UHFFFAOYSA-N 421.384 3.924 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587150339 SHRUCNACBSMFOY-LBPRGKRZSA-N 419.815 3.797 0 1 HHAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCO3 587181614 WYDNJDXUPZAMOZ-MRVPVSSYSA-N 410.215 3.731 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnn1[C@H]1CCCCO1)O2 587377289 LZLMYCXPTKXQLV-JKSUJKDBSA-N 406.280 3.942 0 1 HHAF COc1cc2c3c(c1)O[C@](c1ccccn1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587449372 AEQKERNLHVUZPR-NPMXOYFQSA-N 404.491 3.914 0 1 HHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600015 KASLNCHGZPAEKQ-QPPBQGQZSA-N 420.417 3.821 0 1 HHAF O=C1OCC[C@@H]1Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609612 OHMJPJVGYJEOJK-MZKRTTBSSA-N 418.401 3.789 0 1 HHAF O=C(c1ccn(COc2ccc(Cl)cc2)n1)n1ncc2ccc(Cl)cc2c1=O 587651892 QXYVHMWSAXDSLS-UHFFFAOYSA-N 415.236 3.625 0 1 HHAF NC(=O)N1CCc2sccc2[C@]12c1cccc3c1N(CC3)C(=O)[C@H]2c1ccccc1 962703655 DTGNTEQWCWKXQN-HYBUGGRVSA-N 415.518 3.615 0 1 HHAF O=C(c1ccc2cc(Oc3ncc(C(F)(F)F)cc3F)ccc2n1)N1CCNCC1 1772639119 HPYMGSKPYZNQTD-UHFFFAOYSA-N 420.366 3.625 0 1 HHAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@H](COC(C)=O)[C@]2(C)CCc1ccoc1 2356485887 WVLBBIUEFLDDRO-SOXSJERISA-N 404.503 3.678 0 1 HHAF O=c1c2ccccc2nc(COc2ccccc2)n1N/C=C1\C=NN=C1c1ccccc1 13119346 KLPOBLRUVUGNCT-KNTRCKAVSA-N 421.460 3.892 0 3 HHAF CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1 3022689 LTLSKIFQDPIGSC-SFHVURJKSA-N 420.506 3.659 0 1 HHAF COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21 4238515 LITHCOGKXKTONU-UHFFFAOYSA-N 410.380 3.570 0 1 HHAF Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 5058519 PUKPIHHQWSEWAO-GLJUWKHASA-N 422.522 3.645 0 1 HHAF COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 13525815 INDXRHKLECFZHX-UHFFFAOYSA-N 418.541 3.576 0 1 HHAF COC(=O)c1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585142 KWZFMJOVAVBCKE-UHFFFAOYSA-N 419.677 3.578 0 1 HHAF COc1ccc2c(=O)cc(-c3ccc4[nH]c(CCCN(C)C)nc4c3)oc2c1OC 13586398 SBKAZLULBNKBCO-UHFFFAOYSA-N 407.470 3.848 0 1 HHAF C[C@@H]1CCC[C@@H](COC(=O)N2CCCC2)N1S(=O)(=O)c1ccc(Cl)cc1 28816458 XQGCZQHDJLXOTG-ZBFHGGJFSA-N 400.928 3.504 0 1 HHAF CCCNC(=O)Nc1c(OCCN2CCCCC2)c(OC)c2occc2c1OC 29400935 RGXXAVZBCXSTTC-UHFFFAOYSA-N 405.495 3.846 0 1 HHAF Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(Cl)ccc2n1CC(=O)O 38239269 JLSDSUPBVJVIOJ-UHFFFAOYSA-N 407.857 3.960 0 1 HHAF C[C@@H]1CN(c2ncc(-c3ccc(CNC4Cc5ccccc5C4)cc3)cn2)C[C@@H](C)N1 45193310 HXMVNVXYTWSFMO-RTBURBONSA-N 413.569 3.587 0 1 HHAF COc1cc([C@H](O)[C@@H](C)[C@@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC 58536336 QTIKNRHPPGSKAY-KQHSUYLTSA-N 404.459 3.695 0 1 HHAF biogenic F[C@H]1CCNC[C@H]1n1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1 71334920 KJKYPFOPJLZNBB-LEWJYISDSA-N 400.461 3.779 0 1 HHAF COCCC(CCOC)Nc1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 72176252 VVNFPDFHFNNUKJ-UHFFFAOYSA-N 413.522 3.579 0 1 HHAF COc1cc(N2CCOCC2)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n12 73169621 HMJXSCNBHAGAML-UHFFFAOYSA-N 403.486 3.715 0 1 HHAF COc1c(C(=O)NCc2ccc(F)cc2)ccc2nc(-c3cccs3)n(C)c(=O)c12 84710810 WBSJQXTWLONQNP-UHFFFAOYSA-N 423.469 3.740 0 1 HHAF COc1ccc(-c2nc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 84739111 LPDMVSDBYKJPLL-UHFFFAOYSA-N 400.456 3.658 0 1 HHAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NC[C@@H]5CCCCO5)[nH]c4C)ccc3[nH]2)n1 115833849 BOCJJCQBJHJSJO-INIZCTEOSA-N 420.473 3.524 0 1 HHAF Cc1nc([C@@](C)(NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C2CC2)no1 146226097 XHRIANDCIHPOGF-SFHVURJKSA-N 410.396 3.647 0 1 HHAF CC(C)(CO)[C@@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586904890 WDWLIJQUIPDOQL-KRWDZBQOSA-N 405.292 3.956 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 587044554 YLMNLRXXPFZNCA-UHFFFAOYSA-N 418.272 3.823 0 1 HHAF Cc1[nH]nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br 587542087 WSHSXBPEYXALPT-UGSOOPFHSA-N 401.216 3.889 0 1 HHAF O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 587570637 OUGWCZXCIRBJAN-AUSIDOKSSA-N 420.348 3.749 0 1 HHAF Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587711997 ZDZQRWVIICWIMQ-AYVTZFPOSA-N 406.221 3.970 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 587761300 PCWZSFYFLGIORJ-BIBXISHDSA-N 417.278 3.634 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587779328 QWVOMKWXWPNZRJ-ZRNGKTOUSA-N 421.266 3.501 0 1 HHAF COc1cccc(C[C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811171 VRWOLJLCYLRYLD-NSPYISDASA-N 408.267 3.654 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](C1CC3(CCN(C(=O)OC(C)(C)C)C3)C1)NCC2 962928275 XEJQEYHNSXNOTF-RKRRMPDFSA-N 413.562 3.612 0 1 HHAF Cc1ccnc2c1CCN[C@@]2(C)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 963070264 GDRMACWWSOLAJR-QFIPXVFZSA-N 411.502 3.739 0 1 HHAF CCCOc1ccc([C@@]2(CCC(=O)OCC)NCCc3c(C(=O)O)cccc32)cc1 963126703 WYDGFZGKLBXIBG-XMMPIXPASA-N 411.498 3.906 0 1 HHAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OC(C)C)cc3F)C2)cc1 1772650625 ZNQDRGWBPUEJQU-VQIMIIECSA-N 415.509 3.905 0 1 HHAF FC(F)(F)Oc1ccc(-n2cncn2)c(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 1857620350 GQNNESSKEYKNOD-UHFFFAOYSA-N 417.303 3.612 0 1 HHAF C[C@@H]1C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@@H](C(C)(C)O)C4)O1 2356402082 YBYHQICXTIWWIY-NSPYISDASA-N 422.433 3.740 0 1 HHAF CC(=CCC[C@](C)(O)CCCC1=CC(=O)N(CC(=O)O)C1)CCC[C@@H](C)CC(=O)O 2356786750 BALURIUIBGAQQW-JPYJTQIMSA-N 423.550 3.769 0 1 HHAF CCc1nnc(NC(=O)CSc2nnc3c(C)cc4c(C)cc(C)cc4n23)s1 877241 AHSHNEYCFYOAEG-UHFFFAOYSA-N 412.544 3.952 0 3 HHAF O=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1cccc(Cc2ccccc2)c1 28360039 JVPWBLRLRYTFEQ-UHFFFAOYSA-N 421.444 3.966 0 1 HHAF CN(C)CCN(C)c1c(Br)cccc1Nc1ncnc2ccncc12 29132945 KTEISLXROZYKNT-UHFFFAOYSA-N 401.312 3.529 0 1 HHAF CCCCN(Cc1ccc(F)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40405065 ZPIFUFLCIQEAIK-QFIPXVFZSA-N 418.463 3.886 0 1 HHAF Cc1cc(=O)oc2cc(NC(=O)c3cc(=O)c(OCc4ccccc4)co3)ccc12 49554589 SXOQIIPPZAXQOB-UHFFFAOYSA-N 403.390 3.886 0 1 HHAF CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)C1CC1 72119909 FFYZEFRJDFEGSK-IBGZPJMESA-N 424.570 3.545 0 1 HHAF COc1ccc(C2CCOCC2)c2sc(NC(=O)N(C)C3CCN(C)CC3)nc12 73200406 ZZBZKKYQZNSJEQ-UHFFFAOYSA-N 418.563 3.757 0 1 HHAF COc1ccc(-c2csc(-c3ccc(C(=O)NS(C)(=O)=O)cc3)c2)cc1OC 96282716 WNKANXSLRQTZBM-UHFFFAOYSA-N 417.508 3.789 0 1 HHAF O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccco1 169690235 GSKBPAKYWOLDOS-OAUYIBNBSA-N 422.264 3.717 0 1 HHAF CCCCCCOc1ccc(NC(=O)[C@@H]2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 169727273 RVPUQYARQQXXNQ-NHCUHLMSSA-N 408.498 3.511 0 1 HHAF CN1C(=O)[C@@]2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1 201230505 JLOMMZLKXNYVMK-MHZLTWQESA-N 422.532 3.852 0 1 HHAF CCCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(OC)c3)cc2)C1=O 207739622 BRZMJKKARZWFQB-UHFFFAOYSA-N 404.488 3.505 0 1 HHAF CCc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 473136724 UMZSRCWQPPZAIH-LJQANCHMSA-N 405.527 3.529 0 1 HHAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(I)cnc(Cl)c3[nH]1)C2 586886185 ONBMWOYAZKOMRS-XHNCKOQMSA-N 413.646 3.855 0 1 HHAF Cc1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 586951606 RANBCNNBRPLRSG-UHFFFAOYSA-N 406.305 3.742 0 1 HHAF Brc1c[nH]c2nccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c12 587001910 AJPALLPAFHDUIT-UHFFFAOYSA-N 412.291 3.701 0 1 HHAF CN(C)CCOc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587019483 OVBWOJQKQMQJGK-UHFFFAOYSA-N 417.535 3.898 0 1 HHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587070714 VGHBWZLGKMNLHZ-LBPRGKRZSA-N 405.907 3.843 0 1 HHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)c1 587233814 AUXYFGAYOVGKDI-UHFFFAOYSA-N 412.449 3.511 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O 587348072 CEYVIXBPUDQSSP-PXAYELCQSA-N 424.424 3.719 0 1 HHAF COC(=O)c1cc(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587421033 ZONFWINAAUHQAH-RDTXWAMCSA-N 403.228 3.733 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccccc1OCC(=O)O)CC2=O 587485503 XEUOYQOCAPFDHD-JOCHJYFZSA-N 400.427 3.611 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCOCC3)nc1Cl)CC2=O 587494715 NKVZLWAPHLKXNA-HNNXBMFYSA-N 408.907 3.998 0 1 HHAF CN(C)/C=C/c1nc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572226 ONMBDOYKKRMENY-UTXUYHSBSA-N 418.449 3.902 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1c(C)nc2ccccc21 587867918 DYICOZNUBCTGHA-UHFFFAOYSA-N 415.375 3.971 0 1 HHAF COc1ccc2c(c1OC)[C@@H](c1cccn1CC(=O)OC(C)(C)C)N(C)[C@H](C)C2 962571048 OMIXVVOHNSNUEF-QVKFZJNVSA-N 400.519 3.813 0 1 HHAF COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@@H](C1(C)CC1)C2 1857649394 MFZJHPVOBFJYHO-OAQYLSRUSA-N 413.470 3.535 0 1 HHAF CCOC(=O)c1c(N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n(CC)c1=O 1857770199 IFUFOSPBDDUKBY-UHFFFAOYSA-N 423.488 3.664 0 1 HHAF O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1ccc(I)cc1 1911577823 IMGNQRYNJGZJRU-WMLDXEAASA-N 408.235 3.571 0 1 HHAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@@H]1O 2356372051 WNFNEOMOCHBMGF-SVAOELHLSA-N 420.638 3.989 0 1 HHAF Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@@H](C)O)oc(=O)c1C2 36389238 YKTVPJPRINESLJ-YNEHKIRRSA-N 418.486 3.657 0 3 HHAF Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 13608398 VUENEGTTYJEDTI-INIZCTEOSA-N 408.907 3.939 0 1 HHAF CC(C)CNc1cc(-c2[nH]c(SC[C@@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40392969 RVZZLQRVFUNLHN-KRWDZBQOSA-N 416.522 3.791 0 1 HHAF O=C([C@@H]1CCc2c(Cl)cc(NCc3ccc(F)c(F)c3)c(=O)n21)N1CCCC1 40918913 FTINLZYAZKVTFX-SFHVURJKSA-N 407.848 3.502 0 1 HHAF CCCCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 45283365 BWVWAUCUOBLJRU-UHFFFAOYSA-N 421.486 3.777 0 1 HHAF c1ccc(Nc2nc(NCCc3ccncn3)ncc2-c2nnc(C3CC3)o2)cc1 45484252 SKBMWRFTXAHSQY-UHFFFAOYSA-N 400.446 3.592 0 1 HHAF COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)cc(OC)c1OC 71281664 BGZSCCWDIOJNJW-HXUWFJFHSA-N 419.433 3.940 0 1 HHAF CCCN(CC1CC1)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 82066562 DDLGFZIELWWCDO-UHFFFAOYSA-N 415.538 3.729 0 1 HHAF CCCCNC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C 82070216 LNDJHXLEGGPANJ-SFHVURJKSA-N 403.548 3.880 0 1 HHAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCc2ccccn2)C(C)C)co1 82070343 SQLPXSLSKBNESC-HXUWFJFHSA-N 407.470 3.585 0 1 HHAF Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)cc1 82179195 PSOOIIHJKOOZCU-LJQANCHMSA-N 400.486 3.988 0 1 HHAF COc1ccc(-c2nc3cc4c5c(cccc5c3o2)C(=O)N(CCN(C)C)C4=O)cc1 95588601 GRRAPBWDZJXEDI-UHFFFAOYSA-N 415.449 3.814 0 1 HHAF CCC/N=c1\c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(O)oc2ccccc12 103532267 JDSQTVXMQMDYBC-NKFKGCMQSA-N 412.442 3.727 0 1 HHAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)ccc12 299838395 QJFGDYHLSOYTBM-UHFFFAOYSA-N 400.410 3.891 0 1 HHAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299885529 VPPKJWXDEGCYER-QRICJDHISA-N 408.498 3.597 0 1 HHAF COc1cc(OC)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 587020123 XVWXROIQEKPRRR-UHFFFAOYSA-N 400.485 3.941 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(F)c(Br)n3)nc-2[nH]1 587154984 HUCIDLLLFDFNCT-UHFFFAOYSA-N 415.226 3.586 0 1 HHAF CC1=C(c2ccc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 587197944 QGVJKDRTMHSALG-LJQANCHMSA-N 413.522 3.882 0 1 HHAF COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510363 GMQVXKZMXAUVKL-HSZRJFAPSA-N 417.502 3.747 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1nc[nH]n1 587567749 BQDRDUCXNVRMFR-GCJKJVERSA-N 403.369 3.555 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 587767575 RVNOQVQJGUFSQX-LHSJRXKWSA-N 418.354 3.964 0 1 HHAF CCOC(=O)C[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587778884 ONPMYFWIDITDHC-BUXKBTBVSA-N 407.283 3.714 0 1 HHAF COc1ccc([C@]2(COC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807686 LJOHFSQECWHRJD-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF C/C1=C/CC(C)(C)/C=C/C[C@]2(C)OC3=CC(=O)O[C@]4(C)CC(=O)O[C@]34C[C@H]2C[C@@H]1O 653688513 FWDUNYAYYMYOQL-MBFUXWLISA-N 416.514 3.740 0 1 HHAF COc1cc2c(cc1OC)[C@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962563359 FZEIVMGONKWGSW-JNAXZKDPSA-N 420.550 3.993 0 1 HHAF CC[C@H]1CN=C(Nc2ccc([C@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2)S1 962901890 SRHKMAYHMWFWAC-JLMWRMLUSA-N 413.518 3.981 0 1 HHAF CN1C(=O)C[C@H]2CN[C@H](c3cc(CNC(=O)OC(C)(C)C)cs3)c3cccc1c32 963023644 KHYJGLAGTIWNOX-XOBRGWDASA-N 413.543 3.916 0 1 HHAF CCN(CC)c1nc(=Nc2cccc(Cl)c2)nc(OCC(F)(F)C(F)F)[nH]1 1772635592 HRXAUVKTIDDIJZ-UHFFFAOYSA-N 407.799 3.816 0 1 HHAF COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(OCC(=O)O)cccc23)cc1 1857648527 RJPFNFVEQIIUBK-UHFFFAOYSA-N 423.465 3.771 0 1 HHAF CC(C)C[C@H](NC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1)C(=O)O 2356875465 ZQLBONJLBKDOLE-KRWDZBQOSA-N 421.449 3.539 0 1 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 72137881 UJGFKHCUQASJRB-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC 4152031 LTJMEAZCNFYDGA-GGAORHGYSA-N 409.530 3.635 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152923 QVXCJJIRAHDKQA-MHXAIHSWSA-N 408.498 3.597 0 1 HHAF CCN(CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C)Cc1ccccc1 4930664 JRHAJUBMEFUPBE-UHFFFAOYSA-N 416.525 3.662 0 1 HHAF Cc1ccc(N2C(=S)N[C@@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@H]3C(=O)N(C)C)cc1 13497253 FMPQCKISLAKUSP-OPYAIIAOSA-N 415.946 3.897 0 1 HHAF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n[nH]2)cc1 40846550 VXUKZHOHGXCCKC-UHFFFAOYSA-N 419.481 3.758 0 1 HHAF CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 73221634 HZZNLCVNOOMGDD-UHFFFAOYSA-N 401.470 3.958 0 1 HHAF CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nnn[nH]2)ccc1F 84707812 NDCBEHPDOPPBAK-UHFFFAOYSA-N 411.437 3.500 0 1 HHAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C(N)=O)n2)ccc1O 95558541 HVTSVGLLJGNWME-FCXRPNKRSA-N 407.426 3.579 0 1 HHAF Cc1nc(C)c(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)s1 96175499 UBKWOJYVTLEBRY-UHFFFAOYSA-N 405.487 3.714 0 1 HHAF COc1cccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc12 103276761 JPFKUWFJZDXCEF-UHFFFAOYSA-N 420.509 3.834 0 1 HHAF N[C@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146516883 UPUBYODLRVJDSY-IBGZPJMESA-N 407.587 3.998 0 1 HHAF NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3cccnc3)n2)CC1 299821607 LANWCAAJISYMLG-WGSAOQKQSA-N 416.529 3.854 0 1 HHAF COc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1F 586999925 KQIYHSXJJQNTMW-UHFFFAOYSA-N 405.179 3.952 0 1 HHAF Cc1cc(-c2nc3c(O)nncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061392 LLDUCHVONIYZOO-UHFFFAOYSA-N 405.849 3.789 0 1 HHAF FC(F)(F)c1ccn(CCc2nc3ccc(I)cc3[nH]2)n1 587117773 GUNUYQLZUHQDRA-UHFFFAOYSA-N 406.149 3.626 0 1 HHAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)ccc2F)cc1 587139212 BWFIZQWSSGRPKO-UHFFFAOYSA-N 409.442 3.886 0 1 HHAF COc1cc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143885 MRKXTFWIZGQQHX-UHFFFAOYSA-N 405.385 3.842 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350616 RWBWCVUNZCDZOO-DENIHFKCSA-N 400.402 3.561 0 1 HHAF CCOC(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775317 ZDGDYCGMPVLCRR-BLVKFPJESA-N 407.283 3.714 0 1 HHAF CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587788857 ARBARLHZIISYSJ-SUFBMKPHSA-N 402.304 3.553 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799938 VEPUJOXYSDNZKI-MJLGCCKJSA-N 412.299 3.640 0 1 HHAF Cc1nn(CCc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c(C)c1Cl 587923777 NSILMKAEKURCFI-UHFFFAOYSA-N 424.979 3.915 0 1 HHAF Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc2nc(-c3ccc(F)c(F)c3)cn2cn1 1772583729 GJZIVESOBPRLOZ-UHFFFAOYSA-N 410.428 3.958 0 1 HHAF COc1cc(/C=C/c2nc3ccccc3c(=NCCCN(C)C)[nH]2)cc(OC)c1OC 1857593915 LMMBBPMUDZBYFC-VAWYXSNFSA-N 422.529 3.612 0 1 HHAF CC[C@]1(O)CC[C@@H]2CC=C3OC(=C4OC(=O)C(C)=C4OC)[C@H](C)[C@@H]3[C@@H]3CCC[C@H]1N32 2356491794 QCAFHXTWKUQEOP-WBLNTPLJSA-N 415.530 3.772 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)CC)cc1 4054654 AWMZWFIRCWVVKU-QFUCXCTJSA-N 416.905 3.718 0 1 HHAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(CCN3CCCC3)C(=O)C[C@H]12 6482728 COJVDKKMDHCBJS-XAISMOLKSA-N 410.558 3.612 0 1 HHAF CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(F)(F)F)C(=O)OC(C)(C)C 38449016 GBYDHHIFLCMQAA-PVAVHDDUSA-N 416.484 3.622 0 1 HHAF O=C(Nc1ccccc1C(=O)N[C@@H](CO)Cc1ccccc1)c1cc2ccccc2[nH]1 40394739 MCSGUJFCWFBMJE-LJQANCHMSA-N 413.477 3.754 0 1 HHAF COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3C)n3ccnc3c2C(N)=O)cc(OC)c1 40404829 FOGAMHNVNPPKSU-SUMWQHHRSA-N 424.505 3.580 0 1 HHAF Nc1c(Cl)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl 40584923 RPLUJXKPOYQZGI-UHFFFAOYSA-N 419.234 3.952 0 1 HHAF O=C(Nc1ccc(O)cc1)c1ccc(N2CCN(C(=O)Oc3ccccc3)CC2)cc1 40900145 VIMNTNYHTVNPOC-UHFFFAOYSA-N 417.465 3.966 0 1 HHAF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2c(Cl)cccc12 49032890 UCLJFKRVZHGVTJ-UHFFFAOYSA-N 415.906 3.610 0 1 HHAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3Cc3ccccc3Cl)cc2N1 59203274 XHIJBRPSFSRZFD-QHCPKHFHSA-N 420.852 3.520 0 1 HHAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(Cl)c1)c1ccccn1 66123667 OEBCNNQIIONBQQ-FUOYASODSA-N 407.857 3.689 0 1 HHAF CC(C)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@@H]1C5 100880132 HWYXZCQCAXCQOR-YUSVDLJSSA-N 402.494 3.571 0 1 HHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC 102750973 XYAYAUJYLLPTDJ-VZCCSQPZSA-N 402.451 3.586 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCC5(CC5)C4)n3)C2)cc1 169709905 QZKSEJDOFWBFRM-PGRDOPGGSA-N 420.557 3.927 0 1 HHAF CC[C@]1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O 205667220 YHVZOKPCJPRLSB-XMMPIXPASA-N 419.456 3.815 0 1 HHAF C[C@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 224982162 MQDDJWTVOBHYHX-KRWDZBQOSA-N 406.542 3.786 0 1 HHAF COc1cc(/C=C/c2nnc(NC(=O)c3cccc(O)c3)s2)cc(OC)c1OC 299840024 UUJHQWZKBYCKNK-BQYQJAHWSA-N 413.455 3.692 0 1 HHAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 299875902 DSBLOZMBPHVCER-CWWINAKGSA-N 400.906 3.955 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c1 586903670 NBAHJZUURIPVRT-MRXNPFEDSA-N 403.504 3.532 0 1 HHAF CCCCS(=O)(=O)N[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C 586932896 KULMFQGMOBQJCX-SNVBAGLBSA-N 423.764 3.790 0 1 HHAF CCN1C(=O)C[C@@H](c2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061642 PHQCZOLZZJUQGV-KUHUBIRLSA-N 417.918 3.697 0 1 HHAF O=C1C[C@H](c2nc3ccc(Br)nc3[nH]2)CN1Cc1ccc(F)cc1F 587147901 CQRBQHVWMMKXKW-JTQLQIEISA-N 407.218 3.515 0 1 HHAF O=C(/C=C\c1nc2cccc(I)c2[nH]1)Nc1ccc(F)cc1 587166204 AEJVWBDQEAIRNM-HJWRWDBZSA-N 407.186 3.959 0 1 HHAF O=C(c1ccc(CN2CCCC2)o1)c1c(CO)oc2cc(Br)cnc12 587276394 NVSNRTBFYQJHDN-UHFFFAOYSA-N 405.248 3.502 0 1 HHAF CCOC(=O)C[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335857 IKUVXRYCAXZFMD-FYYLOGMGSA-N 422.412 3.529 0 1 HHAF COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587596848 PMTRYWCOTQQQHI-REWPJTCUSA-N 408.406 3.826 0 1 HHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cc(Br)ccc1O 587649407 UPCNQMBFEORLGX-UHFFFAOYSA-N 408.273 3.579 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 587736482 WACHIOKRQHHNOT-ZRNGKTOUSA-N 422.225 3.866 0 1 HHAF O=C(N[C@@H]1CCOC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772578290 VATOXHDFJPTCPW-CQSZACIVSA-N 403.360 3.960 0 1 HHAF Cc1cnc(Nc2ccc(N3CCOCC3)cc2)[nH]c1=Nc1cc(O)ccc1Cl 1857615101 WTLUSEIPWFKERY-UHFFFAOYSA-N 411.893 3.890 0 1 HHAF COc1cc(C(=O)c2cnn(-c3cccc(Br)c3)c2)cc(OC)c1OC 1857653484 ZBLSJQXBSXRFRS-UHFFFAOYSA-N 417.259 3.892 0 1 HHAF CCOc1cc(F)ccc1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1 1857761402 QEVPCFCNOLNUJL-UHFFFAOYSA-N 400.385 3.672 0 1 HHAF COc1ccc(CN2CC[C@@]2(C)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 61907282 JYYPMPLCVAZWQU-VWLOTQADSA-N 418.493 3.858 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 72136097 GFEUDHHOTCFLCI-IBGZPJMESA-N 405.903 3.884 0 3 HHAF O=c1c2ccccc2nc(N2CCN(c3ccccc3F)CC2)n1Cc1ccccc1 4924309 CUAKIPRROKCQHU-UHFFFAOYSA-N 414.484 3.911 0 1 HHAF O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 11422346 CQECFJNZZPYKHL-NRFANRHFSA-N 411.889 3.835 0 1 HHAF O=C(O)Cc1nn(Cc2nc3cc(-c4ccccc4)ccc3o2)c(=O)c2ccccc12 13448975 JONPUPNUCOTQEY-UHFFFAOYSA-N 411.417 3.880 0 1 HHAF COc1ccc2c(n1)CC[C@H](OC)[C@]2(C)NCC1CCN(Cc2ccccc2)CC1 26983347 GEAUSXVZTKJMQR-UKILVPOCSA-N 409.574 3.768 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([S@](C)=O)cc1 27863266 KPJYNEDTNNPOJQ-ACSYHNTCSA-N 414.527 3.687 0 1 HHAF C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 28759038 BXVVUEGYPVYYSW-XXBNENTESA-N 408.542 3.814 0 1 HHAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(N4CCN(C)CC4)cn3)[C@H]12 28823106 WSLKRXPSFXEJQQ-SSIBJMEVSA-N 409.574 3.851 0 1 HHAF CN(Cc1ccc(C2=NCCN2)cc1)C(=O)c1nc2ccccc2n1Cc1ccccc1 42891285 ZHWYOLRXGFKAQG-UHFFFAOYSA-N 423.520 3.707 0 1 HHAF CC(=O)N(C)c1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 66260009 YUTQNVDHIPEDLL-UHFFFAOYSA-N 402.542 3.891 0 1 HHAF CCN(CC)C(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 71295332 BQGYFJNJYSBKHG-UHFFFAOYSA-N 415.925 3.571 0 1 HHAF COc1cccc(CCNc2cncc(Oc3cccc(NC(C)=O)c3)n2)c1OC 82068656 MCVLJWAXHYJOCM-UHFFFAOYSA-N 408.458 3.899 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 82209436 ANIGSPWILALZJK-GOSISDBHSA-N 410.543 3.593 0 1 HHAF Nc1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@@H]2Cc2ccccc2)c1 98084754 JZUOZVFRPLKQLG-DSNGMDLFSA-N 415.537 3.768 0 1 HHAF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CCCCC2)[C@H]1c1[nH]cnc1Cl 103169348 NWEUUAILIYXQCX-INIZCTEOSA-N 407.898 3.594 0 1 HHAF O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 103254451 OFLQLZVOIWKDDT-WJYNOGRTSA-N 400.429 3.542 0 1 HHAF NC(=O)c1cc(-c2ccc(C3CC3)nc2)nc2c1[nH]c1cc(N3CCOCC3)ccc12 113205627 HDFLKWZYUZINIT-UHFFFAOYSA-N 413.481 3.591 0 1 HHAF O=C1COc2ccc(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)cc2N1 143600387 SIZRGZYNIZBTIB-CYBMUJFWSA-N 407.348 3.682 0 1 HHAF Fc1cc(Cl)ccc1OC1CCN(c2nc3cnncc3nc2NC2CC2)CC1 144420107 IFPKHLIORDWVJQ-UHFFFAOYSA-N 414.872 3.834 0 1 HHAF CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 169370846 QFJACOUEVLILBV-JQQZBHLLSA-N 409.548 3.958 0 1 HHAF Cc1ncc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCC(F)(F)CC2)cn1 207701353 QPZZTDUXBPLMNE-INIZCTEOSA-N 412.843 3.780 0 1 HHAF CS(=O)(=O)/C=C/c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586926008 LSTUPODFMLSJFI-MDZDMXLPSA-N 409.389 3.849 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348192 MWIYLCGUDXRIET-OFNKIYASSA-N 414.429 3.807 0 1 HHAF COc1cc2c3c(c1)O[C@](c1cn(CC(=O)O)c4ccccc14)(C1CC1)[C@@H](C2)C3=O 587431981 SKIPUFFVRDJBGY-BXKMTCNYSA-N 403.434 3.787 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)CC2=O 587476347 BXASKEWCQSWDLB-GOSISDBHSA-N 400.427 3.994 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)OCCO3)CC2=O 587482218 CXEPXJDTZIAOBF-QHCPKHFHSA-N 412.438 3.841 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1Cc3ccccc3N[C@H]12 587586443 CGCDGQAETGNJPT-TUACAJSNSA-N 400.434 3.750 0 1 HHAF CCOC(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590384 ZRNVGBMUWUNAGD-NZQKXSOJSA-N 405.406 3.598 0 1 HHAF O=C(O)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598820 VLDCSSFVWAJRBI-NFBKMPQASA-N 406.390 3.949 0 1 HHAF COC(=O)[C@]1(Cc2c(C)[nH]c3cc(F)ccc23)CN(C(=O)OC(C)(C)C)CCC1=O 587636680 CJYGUQGZNLDDOA-JOCHJYFZSA-N 418.465 3.527 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2C)N1 587682132 UNEOADFOZCCRKJ-WPPNPWJKSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 587772700 GDVWHQVUXVGTAS-YBTHPKLGSA-N 412.262 3.613 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587854471 BXQYPNRHPGGNQM-HTEPMUDFSA-N 423.307 3.663 0 1 HHAF COc1ccc(/C=C\Cc2nc3cc(I)cnc3[nH]2)c(OC)c1 587928670 GXOUHHYFTPSDCG-ARJAWSKDSA-N 421.238 3.836 0 1 HHAF COc1ccc(OC[C@@H]2c3cnn(C)c3CCN2C(=O)c2cccc(Cl)c2)cc1 1911582153 IPXDISVBOWEWKA-OAQYLSRUSA-N 411.889 3.901 0 1 HHAF C[C@]1(O)CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356289434 VSPSOGBFHOXYCS-LSQMVHIFSA-N 419.500 3.717 0 1 HHAF CC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 12090996 CJXGETJFPWODGL-UHFFFAOYSA-N 410.489 3.977 0 3 HHAF CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](O)CCC2=O)cc1 36388005 VTORWSKBICWSFW-SFTDATJTSA-N 412.555 3.722 0 3 HHAF CN[C@H]1C[C@H]2c3[nH]c4c(-c5cccc(C)c5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O 203468627 HDSFXNCFAKQCBK-JNHSIYEJSA-N 403.526 3.558 0 3 HHAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(C(=O)c3ccccc3)C2)on1 205221311 TZRQWNUAFUXQNA-SFHVURJKSA-N 407.445 3.764 0 3 HHAF CC(C)CCNC(=O)c1ccc(N2CCC(Oc3cc(F)ccc3F)CC2)nn1 28655330 JHIWMXLEYLTYOS-UHFFFAOYSA-N 404.461 3.579 0 1 HHAF CS(=O)(=O)c1ccc(-c2nc(NCc3nccs3)cc(C(F)(F)F)n2)cc1 29132119 HNCSDHWKXKOFOJ-UHFFFAOYSA-N 414.434 3.635 0 1 HHAF COc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1Br 40414087 WSCIYWILAUBZSD-UHFFFAOYSA-N 420.263 3.731 0 1 HHAF Cc1ncc(-c2nc(Nc3ccc(C(=O)N(C)C)c(F)c3)ncc2F)n1C(C)C 40846715 TYRDCYYKRYFRKP-UHFFFAOYSA-N 400.433 3.953 0 1 HHAF COc1ccc2c(CSCC(=O)c3ccc(OC)c(OC)c3)cc(=O)oc2c1 64540267 SKCWOLSIBUBXEU-UHFFFAOYSA-N 400.452 3.935 0 1 HHAF COc1ccc(C2=NN(c3nnc(S)n3-c3ccc(Cl)cc3)C(=O)CC2)cc1 66066072 ZUVIPVCIZXPUFF-UHFFFAOYSA-N 413.890 3.749 0 1 HHAF COCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1 82134141 SJLWFATZPOAMGS-UHFFFAOYSA-N 410.905 3.828 0 1 HHAF COc1ccc(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)cc1OC 82195741 CYWIGPWCDUDUOA-UHFFFAOYSA-N 421.563 3.951 0 1 HHAF O=S(=O)(c1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100101645 INTPNRISSSHJJF-JKHIJQBDSA-N 408.498 3.621 0 1 HHAF CCCc1cc2ncnc-2c(O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 101194187 ZSZZASLUBOCZAE-UHFFFAOYSA-N 411.469 3.936 0 1 HHAF O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CCCO3)CC2)cc1)N1Cc2ccncc2C1 166584945 FIRREMCLGGOVOY-JOCHJYFZSA-N 420.513 3.514 0 1 HHAF O=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1CCc1ccccc1 169308735 MQVFHZJHWDTRGB-UHFFFAOYSA-N 408.542 3.700 0 1 HHAF CC(=O)[C@@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Br)cc1 169693991 UHNBEZJCHGCWAS-HOTGVXAUSA-N 419.275 3.597 0 1 HHAF CCCOc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)cn1 169709287 QQMUQOLXECDKET-KXBFYZLASA-N 401.482 3.864 0 1 HHAF O=C(O)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](O)CC4)ccc2-3)cc1 253660906 UBWUSBASJVPSHE-WGSAOQKQSA-N 403.482 3.739 0 1 HHAF CN(C)/C=C\[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343384 SEUUUKDLVCWJGY-AOYWXPFXSA-N 407.445 3.595 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCOCC3)c(Cl)c1)O2 587373661 FMDDZQWLEQZIEQ-OAQYLSRUSA-N 416.905 3.648 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587396904 WVQLIZSGQTXQHQ-CEXJFXJFSA-N 416.518 3.717 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(C)cc3nc1N1CCOCC1)O2 587398363 FKFPXOAHRQONGG-QFIPXVFZSA-N 403.482 3.977 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc(C(=O)O)ccc2-c2ccc(C(=O)O)cc21 587406404 GYXDHMXHIZZSBC-UHFFFAOYSA-N 415.401 3.863 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CN3CCOCC3)c1)CC2=O 587473905 CUGFYBYCNJDRLL-HSZRJFAPSA-N 411.498 3.892 0 1 HHAF C[C@@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517534 PHIOAFNHLJSCJN-PUAOIOHZSA-N 403.478 3.964 0 1 HHAF O=C(O)[C@@H]1C[C@@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606764 GBTCOOBVWRBBPR-MXBPETCHSA-N 402.402 3.970 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cn2ccccc2n1 587869299 GBILZZLTNBYSHJ-UHFFFAOYSA-N 401.348 3.503 0 1 HHAF CCN(CC)CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653721781 XLNMSCQHNFGBNM-NRFANRHFSA-N 403.482 3.813 0 1 HHAF COc1cccc2c1OCCC[C@@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973165 VHKYIPZZFDCTEC-JLTOFOAXSA-N 409.816 3.642 0 1 HHAF COc1ccc2c(c1)[C@](c1cccc(CN3CCN(C)CC3)c1)(C1CC1)N[C@H]1CC[C@@H]21 962991616 DOBUVOTXKMSYTF-DOEKTCAHSA-N 417.597 3.945 0 1 HHAF CC(C)(C)OC(=O)N1[C@H](C(C)(C)Br)c2scnc2C[C@@H]1C(=O)O 963139966 IXCCLWGTUXYIQS-KOLCDFICSA-N 405.314 3.604 0 1 HHAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)c(Cl)[nH]1 1857593782 QECSPAJWGOLPOS-HNNXBMFYSA-N 405.861 3.811 0 1 HHAF Cc1ccc(-n2c(O)cc(=O)nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 101941960 LWBLNBUWSNRLDG-UHFFFAOYSA-N 401.875 3.631 0 3 HHAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOCCO 4310640 OEAQOQCBRYMHMU-RBUKOAKNSA-N 414.905 3.618 0 1 HHAF COc1ccccc1N1CCN(CCCNC(=O)Cc2cccc3ccccc23)CC1 11909395 DPOUSVNUKWQWOC-UHFFFAOYSA-N 417.553 3.719 0 1 HHAF COc1ccccc1CNc1nc(I)nc2c1ncn2C(C)C 13834620 LHAHNUQCGKLDNY-UHFFFAOYSA-N 423.258 3.633 0 1 HHAF CC(C)O[C@H](Cc1ccc(OCCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O 26404911 CCIAKLNNTHBVOZ-LJQANCHMSA-N 414.433 3.918 0 1 HHAF Cn1ccnc1NC(=O)c1c(C(F)(F)F)nc2c(C(F)(F)F)cccc2c1O 29233931 LAISHROCCZMZJD-UHFFFAOYSA-N 404.270 3.964 0 1 HHAF CCOC(=O)CN1C(=O)[C@@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 36381973 HZRMDFYIUZHUDP-NBGIEHNGSA-N 421.493 3.744 0 1 HHAF CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 38412348 PMUMPYZJZVTUOL-UHFFFAOYSA-N 418.541 3.698 0 1 HHAF Cc1ccc(-c2cc(CC3CCCCC3)[nH]n2)cc1S(=O)(=O)N1CCOCC1 40407312 WCJNIYXXISGTAE-UHFFFAOYSA-N 403.548 3.529 0 1 HHAF CCC[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 45255580 ATGNIAKOMZKQIA-KRWDZBQOSA-N 421.472 3.643 0 1 HHAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NC[C@H]1CCCO1 82193263 HRAPYSCGTADFNL-CVEARBPZSA-N 409.552 3.778 0 1 HHAF O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 95877992 JKBWWZVRFOKLPS-IMRHEYAYSA-N 403.457 3.878 0 1 HHAF Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cncs4)nn(C)c3n2)cc1 117516054 FTVURQPDCLVSKG-HNNXBMFYSA-N 421.526 3.965 0 1 HHAF O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CCNCC3)ncc12 139801618 NGLPNFQNWPLDDM-UHFFFAOYSA-N 414.469 3.784 0 1 HHAF CC1(C)C[C@H]1C(=O)N1CCc2ncsc2[C@@H]1c1cc(Cl)ccc1OCC(=O)O 206935115 RMTCJZVBTRZXHG-GUYCJALGSA-N 420.918 3.780 0 1 HHAF COC[C@@H](NC(=O)Nc1ncc2c(-c3ccncc3)n[nH]c2c1F)c1ccccc1 219762523 GKJIXXICTHXIFE-MRXNPFEDSA-N 406.421 3.668 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587034488 GQTVWJVTWGJAIL-KRWDZBQOSA-N 405.545 3.511 0 1 HHAF COC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1OC 587123131 GSCBMPUGZPXJDV-UFBFGSQYSA-N 409.368 3.529 0 1 HHAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(OC(C)C)cc2[nH]1 587129033 QQIRUHMEHZWFRS-UHFFFAOYSA-N 419.407 3.774 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCC(=O)CC1 587234155 HCNWCFVJYVBRQE-UHFFFAOYSA-N 413.453 3.751 0 1 HHAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(O)c1 587240025 FDACKCCJPZTESS-UHFFFAOYSA-N 400.438 3.524 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O 587455757 QHNNVAWIKWLGPO-UODBTFMRSA-N 414.413 3.747 0 1 HHAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568823 FALBDDUBRILPMY-OECQAKIHSA-N 405.450 3.866 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C(=O)C2 587582134 KCSIPFBPQNTBDO-DHLKQENFSA-N 415.445 3.915 0 1 HHAF Cc1cccc(NC(=O)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655406 GDNLQSWZSJIECX-UHFFFAOYSA-N 419.387 3.929 0 1 HHAF COc1cc(N)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587746893 IQCTVKZJZZXQHA-GIGQVBGESA-N 409.299 3.985 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 587762264 RVFLUKOYKPKEJF-BIBXISHDSA-N 417.278 3.634 0 1 HHAF CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587794253 GINCMRSFKKXIIV-RGIROJJOSA-N 412.299 3.640 0 1 HHAF COc1cc(/C=C(/C(=O)N2CCC=CC2=O)c2ccc(F)cc2)cc(OC)c1OC 653703959 RHGMRAZDADDXKT-LDADJPATSA-N 411.429 3.707 0 1 HHAF COc1ccc([C@]2(C[C@@H](C)C(=O)O)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962625536 FFIWNGCWXUWLSF-DQIAKBPPSA-N 413.514 3.943 0 1 HHAF Cc1c(O)ccc2c1[C@H](c1c[nH]c3ccc(Br)cc13)N[C@H](C(=O)O)C2 963522613 FSIIOKKWVTYBFJ-YJBOKZPZSA-N 401.260 3.633 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CC[C@H](C(=O)NC4CCCCC4)C3)c2)c1 1772633893 AMVMXOVWZWTOSU-FQEVSTJZSA-N 420.557 3.913 0 1 HHAF COC(=O)[C@@H]1C[C@@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@@H]52)C4)[C@]31CC[C@](OC)(C(C)C)OC1 2356396119 BJEDIGDSPYXOHZ-MPAWWZRPSA-N 417.590 3.713 0 1 HHAF C[C@@H](C=C[C@@H](C)[C@@H]1C[C@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CO 2356654128 OJUYKMCASYNMLF-PSHJMEBASA-N 420.634 3.769 0 1 HHAF OC[C@H]1CCCN(c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)C1 12079137 ZBXGMERINTVPAX-HNNXBMFYSA-N 411.527 3.524 0 1 HHAF O=C1N[C@@H](c2c[nH]c3ccccc23)CN[C@@H]1c1c[nH]c2cc(Br)ccc12 15266912 PZUOTISMYYMQAB-RTBURBONSA-N 409.287 3.914 0 1 HHAF biogenic O=C(O)/C=C/c1ccc(C(=O)N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 26746110 BHMKPPGZJJEFPF-HRNYAPDYSA-N 414.461 3.572 0 1 HHAF COc1ccc2c(n1)CC[C@H](OC)[C@@]2(C)NCC1CCN(Cc2ccccc2)CC1 26983362 GEAUSXVZTKJMQR-ZCYQVOJMSA-N 409.574 3.768 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(CCC(=O)O)cc1 27865658 KIHUNALZNZWSQO-JOCHJYFZSA-N 424.497 3.967 0 1 HHAF O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 28356077 WAZOFMZQJPNBBJ-QFIPXVFZSA-N 405.498 3.903 0 1 HHAF O=C(NCCO)c1ccc2c(c1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 28822280 MIPSYHDNPSQXBK-UHFFFAOYSA-N 411.461 3.743 0 1 HHAF COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OCC1=CC(C)(C)NC1(C)C 34046627 IORULYRGPQSLHN-UHFFFAOYSA-N 420.513 3.803 0 1 HHAF Cc1ccc2c(OC3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 40412384 GPSNGZQIELJYAX-UHFFFAOYSA-N 417.509 3.960 0 1 HHAF O[C@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 45484202 PTUCWEIQVSCWLL-OALUTQOASA-N 400.486 3.652 0 1 HHAF Cc1ccc(N([C@@H](CO)COc2ccccc2)[C@@H](CO)COc2ccccc2)cc1 64528485 JDAWFUWXGHWXSU-GOTSBHOMSA-N 407.510 3.681 0 1 HHAF COC(=O)N1CCC(Oc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1 72112622 FLAFFAGRZPDENB-UHFFFAOYSA-N 402.426 3.783 0 1 HHAF COc1cccc(NC(=O)c2ccc(N3CCc4c(ccc(OC)c4OC)C3)nc2)c1 95586830 ZUTRMZBYCKPLFF-UHFFFAOYSA-N 419.481 3.922 0 1 HHAF CNc1nc(C)c(-c2nc(Nc3cccc(N4CCNCC4)c3)ncc2Cl)s1 95602151 YZRRSIPTHDIILM-UHFFFAOYSA-N 415.954 3.757 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)NC(C2CC2)C2CC2)n2c1COCC2)c1ccccc1 146092779 IXQFXHHDSFNREV-HXUWFJFHSA-N 421.541 3.818 0 1 HHAF COc1ccc(CCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167579490 LFQILEPLNFXQOV-UHFFFAOYSA-N 417.509 3.819 0 1 HHAF COc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1C 167855302 PAXCVPYCBMOYBS-UHFFFAOYSA-N 403.482 3.809 0 1 HHAF Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 220129719 DHPIFMNXORGQBU-UHFFFAOYSA-N 424.570 3.796 0 1 HHAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@]5(C)C[C@@H]6C(=O)OC[C@@]64[C@@]3(CC[C@@H]12)C5 238767468 UOLOMGXHYRADOZ-HMAPIXHDSA-N 412.526 3.849 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 299879019 KCXUQGQAGCNPRK-KGSLCBSSSA-N 408.498 3.597 0 1 HHAF COC(=O)c1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cn1 587091212 GTBMHKBBNZSDRH-UHFFFAOYSA-N 420.269 3.766 0 1 HHAF COC(=O)c1cc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2cn1 587144632 PADXLLDCNAGAQY-UHFFFAOYSA-N 405.385 3.790 0 1 HHAF O=C(O)c1cccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587154417 MYSRRVNLMKXCOI-UHFFFAOYSA-N 411.414 3.868 0 1 HHAF C[C@@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)Cc2ccc(F)cc2C(=O)O1 587174962 UBZOWYWCQFDVDF-HNNXBMFYSA-N 400.719 3.744 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cncc(Br)c2[nH]1)C[C@@H]1CCCO1 587195987 LWTXCCNNWDRJNO-NSHDSACASA-N 411.300 3.637 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587448081 BKILZCFLRBADAK-RIEVBORMSA-N 414.413 3.904 0 1 HHAF Cc1cccnc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577130 JCJDEBGMBAQFCQ-CVDCTZTESA-N 404.422 3.845 0 1 HHAF COc1cc2c(cc1OC)[C@](CC(C)C)(C(C)=O)N(C(=O)c1ccccc1N)CC2 963156356 IEXFSCFBDKFEAL-DEOSSOPVSA-N 410.514 3.815 0 1 HHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)CC(=O)N1CCC(C(=O)OCC)CC1 963226322 HRCNRMDIULHQSX-KOSHJBKYSA-N 400.563 3.750 0 1 HHAF COC(=O)C[C@H](C)[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441326 CHMUPUIEDFUEPO-OSGPJOMKSA-N 420.465 3.560 0 1 HHAF CCOC(=O)C[C@]1(C[C@H](O)c2ccccc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963607681 JXWGDWUNUFFFOC-UXSWERMXSA-N 413.514 3.510 0 1 HHAF Cc1nn(-c2ccccc2)c2ncnc(Nc3ccc(OCCCO[N+](=O)[O-])cc3)c12 1772588519 AEQHTLGEMCIUDK-UHFFFAOYSA-N 420.429 3.845 0 1 HHAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2ccncc2)CC[C@@]1(C)O 2356288929 MVFWAGRBDOANMU-KCZVDYSFSA-N 401.576 3.762 0 1 HHAF O=C(O)C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302669 LMCZMNWKDARDDS-LSDHHAIUSA-N 410.449 3.889 0 1 HHAF Cc1cccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1 4111543 HBPMOCZBXBSACC-UHFFFAOYSA-N 422.554 3.935 0 3 HHAF Cc1ccc(OCc2cc(C(=O)N3CCC(Oc4cccnc4)CC3)no2)cc1C 11668121 FJOGYEJMKCZEEM-UHFFFAOYSA-N 407.470 3.949 0 3 HHAF O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2C2CCCCC2)C2CC2)CC1 72102791 MIOMQAUWMCSWLG-OAQYLSRUSA-N 421.549 3.610 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 72140737 KDMUXRRGYZHBNJ-GOSISDBHSA-N 409.866 3.714 0 3 HHAF O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCCC1 5042504 MNCFKTFRBWVDKG-UHFFFAOYSA-N 412.305 3.642 0 1 HHAF CC1(C)CC2(CC(C)(C)c3cc(NC(N)=O)c(O)cc32)c2cc(O)c(NC(N)=O)cc21 5963567 BBELNFJEOKRGCV-UHFFFAOYSA-N 424.501 3.728 0 1 HHAF C[C@@H]1O[C@@H]1[C@@H]1C[C@@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 14617097 DOBIJRXDCBLKRN-GWBAWERNSA-N 404.098 3.636 0 1 HHAF biogenic Fc1cccc(CN2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)c1F 21640364 HLDPOLJUACUAJS-UHFFFAOYSA-N 421.495 3.640 0 1 HHAF CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@@H]3CC[C@@]21C 26186246 HKMYJCGBZHDCCU-MNMROBMLSA-N 420.619 3.789 0 1 HHAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3cccc(Cl)c3)CC1)OCC2 27882729 LWGZZIUYAPJUHV-QFIPXVFZSA-N 402.922 3.793 0 1 HHAF COCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1 28522898 ZLYBATPQQQIGSX-UHFFFAOYSA-N 405.454 3.732 0 1 HHAF COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCCCc3ccccc3)C4)c2n1 28817530 BVTOOTVTOCQTOZ-FQEVSTJZSA-N 413.525 3.904 0 1 HHAF CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)cc(C)c(Cl)c2c1OC(C)=O 28871784 QIAPYOHUZJZPRJ-UHFFFAOYSA-N 408.790 3.503 0 1 HHAF CC[C@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@@H]32 31897544 GZTRBGOKFUFZBR-YYHVKDNZSA-N 416.514 3.657 0 1 HHAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)CCc2ccccc2)[C@@H]2CC[C@@H]1C2 100806138 IIGQPYXZVBRBKR-BISFJHLQSA-N 405.560 3.764 0 1 HHAF O=C(Nc1ncnc2c1cnn2CCN1CCCCCC1)C12CC3CC(CC(C3)C1)C2 147767235 HQFDVEZTZCFDQL-UHFFFAOYSA-N 422.577 3.857 0 1 HHAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(-c3cnc[nH]3)c2)cc1 199945566 DYLINYZJBSLCHN-UHFFFAOYSA-N 407.499 3.895 0 1 HHAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1=CCCCO1 205656580 GZLGJDQCTABTKC-UHFFFAOYSA-N 417.441 3.808 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(F)c2ccc(Cl)c(F)c2)CC1 222846777 YAXYBAJRIAAJBG-UHFFFAOYSA-N 401.866 3.984 0 1 HHAF N=C(/C=C/CN)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 261107348 HOVGKFRLRAHOTJ-TVNYDNIPSA-N 416.407 3.568 0 1 HHAF Cc1ccc(-c2ncco2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 473180412 PXRGSQSWFRMRIG-HFTRVMKXSA-N 408.433 3.651 0 1 HHAF Cc1cc(C)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 587004001 ZFKQEJPPSGOMDP-UHFFFAOYSA-N 400.276 3.910 0 1 HHAF COc1cc2c3c(c1)O[C@@](CC(=O)Nc1cccnc1)(c1ccccc1)[C@@H](C2)C3=O 587432514 MVVWWMAWXXICDD-CYFREDJKSA-N 400.434 3.762 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)OC)CC2=O 587473975 BINLKQGFMCTBJQ-CPJSRVTESA-N 423.509 3.744 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C[C@@H](C(=O)O)CC3=O)c1)CC2=O 587474051 CKXHWPHOGDSXCO-BSEYFRJRSA-N 423.465 3.663 0 1 HHAF CS(=O)(=O)c1ccc2[nH]c(Cc3ccc(F)cc3)c(CCCC3OCCO3)c2c1 587649871 CXVIXPIKAAJPPY-UHFFFAOYSA-N 417.502 3.997 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2F)N1 587723697 BRUKBQPELKGXOU-XYZCENFISA-N 416.287 3.754 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587727026 BEBQFFOBKOFHKJ-AYLIAGHASA-N 422.225 3.866 0 1 HHAF CCn1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587761665 BUVAARMJADTOSP-QANGFKFCSA-N 407.331 3.658 0 1 HHAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccc(-c3cccnc3)o2)N1 962629915 GQTYKHWPBVCJGZ-ACJLOTCBSA-N 404.344 3.929 0 1 HHAF COc1cc(Cl)c([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962964154 JKFDDDRQSDKSMT-SJKOYZFVSA-N 418.223 3.977 0 1 HHAF N=c1ncc2cc(-c3c(Cl)cccc3Cl)c(N3CCC(CN)CC3)nc2[nH]1 1857564163 BKFNWKONKFIXTJ-UHFFFAOYSA-N 403.317 3.586 0 1 HHAF N=c1ccc(-c2ccc(CNS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)c[nH]1 1857588826 RAOAAGXEYCNGRL-UHFFFAOYSA-N 412.902 3.774 0 1 HHAF COc1ccc(N(C(=S)NCCCn2cncc2C)C2CCCC2)cc1OC 1857609966 ODDRTRGFVYVOTJ-UHFFFAOYSA-N 402.564 3.923 0 1 HHAF CS(=O)(=O)c1ccc2c(c1)nc(O)n2C1CCN(Cc2ccccc2Cl)CC1 1857639567 CHXRVQDTCTUSTF-UHFFFAOYSA-N 419.934 3.636 0 1 HHAF CC1=C[C@H](CNC(=O)NC2CCCCC2)[C@@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356410859 UQVYFJVJUWEYSR-TUNNFDKTSA-N 420.642 3.541 0 1 HHAF C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356643294 NRLDULXFOAMEBL-SRRKQITFSA-N 418.666 3.646 0 1 HHAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4049669 VPPKJWXDEGCYER-MHXAIHSWSA-N 408.498 3.597 0 1 HHAF C[C@@]1(C2CCN(C(=O)CC3CCCCC3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11788710 GMUVTCSYRNKIOW-QFIPXVFZSA-N 417.575 3.768 0 1 HHAF CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccc2cccnc12 29219682 XDBOKVMUFJGYDC-CTNGQTDRSA-N 407.539 3.617 0 1 HHAF C[C@@H](CNC1CCN(CCn2c(=O)ccc3ccc(F)cc32)CC1)c1ccccc1 45167336 GEVHPBWKLDIKTR-IBGZPJMESA-N 407.533 3.998 0 1 HHAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C1 82217034 VSZJJSAJGXHGMX-SJORKVTESA-N 412.509 3.770 0 1 HHAF CC(=O)N1CCN(c2cc(-c3ccco3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 95568735 NXWIXULUJSPLDY-UHFFFAOYSA-N 421.888 3.978 0 1 HHAF Cc1cc(C(=O)NC2CCOCC2)cnc1OCc1c(-c2ccccc2)noc1C 141251869 YJCANOFPNOMLGW-UHFFFAOYSA-N 407.470 3.841 0 1 HHAF Cc1nc2c(o1)CCN(c1cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn1)C2 225554120 TXMWABMBOGQXAU-UHFFFAOYSA-N 408.437 3.805 0 1 HHAF C[C@H]1c2nnn(-c3ccn[nH]3)c2C[C@@H](C)N1C(=O)c1cccc(C(F)(F)F)c1Cl 225978727 IQRKGPSJDGZJEV-ZJUUUORDSA-N 424.814 3.811 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C(=O)O)[C@@H]4C(=O)O)-c1ccccc1C2=O 587100751 HKKKNDOULFIXTA-RBOBLBHYSA-N 401.418 3.816 0 1 HHAF CCOC(=O)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339509 QQFKIUAAFYHVEB-NFBKMPQASA-N 407.397 3.744 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)cnn2C)N1 587676881 GMYQORXTROJYNC-ANRSDYALSA-N 417.120 3.882 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2cc(Br)ccc2OC1(C)C 962923035 LVQZWQFQGABLCX-OAQYLSRUSA-N 415.331 3.711 0 1 HHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCc3nc(Cl)sc3C2)N1 962975761 YLIJEUYUCQFNLB-QFYYESIMSA-N 405.253 3.711 0 1 HHAF COc1ccc([C@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963137745 GFGOJOQGXYEYOQ-FOIQADDNSA-N 404.488 3.662 0 1 HHAF Cc1ncc(CCNc2nc(Nc3ccc(F)c(F)c3)nc3c2cnn3C)s1 1772648387 OXVXKGHYGDGYKH-UHFFFAOYSA-N 401.446 3.805 0 1 HHAF C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(F)cccc1Cl 1857550842 PTEZDJQSDSRVQJ-DZGCQCFKSA-N 413.880 3.919 0 1 HHAF CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 59833377 YUEHBYHERLEJFD-PXNSSMCTSA-N 413.497 3.931 0 3 HHAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NC[C@@H](O)CC 4205332 DJJCEOXMOMUGEJ-SCWSEQNSSA-N 416.905 3.718 0 1 HHAF COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H]3CCCC[C@@H]3C)c(C)o2)cc1 5057846 YQQKIZACDYMBKR-DJCSAQKLSA-N 404.532 3.602 0 1 HHAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc([S@](C)=O)cc2)cc1 13557942 RACMOCVFSXGHRE-GDLZYMKVSA-N 408.479 3.937 0 1 HHAF O=c1nc(SCc2cccc(F)c2)n(Cc2ccco2)cc1Cc1cncnc1 26574205 RHPWBMIREXBABK-UHFFFAOYSA-N 408.458 3.697 0 1 HHAF CNC(=O)C(C)(C)COc1ccc2cc([C@H]([C@@H](C)N(C)C)n3ccnc3)ccc2c1 28137085 LEDOEMLBTIQWQV-VGSWGCGISA-N 408.546 3.727 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)C(=O)C[C@@]21C 33820860 UGIYNEUNLPMQNC-QLIMCPMHSA-N 406.563 3.801 0 1 HHAF COc1c(-c2ccc3c(c2)CNC3)ccc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090259 XAVSZNMPLSSUPP-UHFFFAOYSA-N 405.479 3.931 0 1 HHAF O=C(O)c1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 40393548 NEKHIXRCYMKASQ-UHFFFAOYSA-N 415.037 3.868 0 1 HHAF COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(C)cc2)[nH]n1 64321262 GNQSKLDWVQJYEV-VQIMIIECSA-N 423.513 3.555 0 1 HHAF COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 82066679 ONOBHWKTRAGYDT-BXWFABGCSA-N 413.522 3.746 0 1 HHAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187674 TUHRUVNLQCMPQZ-KRWDZBQOSA-N 414.513 3.845 0 1 HHAF COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)[C@@H]1C[C@H](C(C)=O)[C@]2(C)O 95909196 JFXHBZJISWEQOJ-BQLPAVKISA-N 422.562 3.846 0 1 HHAF biogenic,in-vitro O=C(c1ccc(Br)cc1)[C@@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F 103180438 ACYNDKAARVCAAD-CYBMUJFWSA-N 419.172 3.888 0 1 HHAF Nc1ncc(-c2ccc(S(=O)(=O)C3CC3)cc2)nc1-c1ccc(C(F)(F)F)nc1 103252848 WNLGPWQMIXOKQG-UHFFFAOYSA-N 420.416 3.743 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N3C(=O)CC[C@@H]3C)c2)nc1 113544971 MDFWHNITPSMTGM-DLBZAZTESA-N 415.497 3.853 0 1 HHAF COC(=O)COc1cc(Br)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 116910874 XNAWHPNAHWCHFR-INIZCTEOSA-N 417.177 3.780 0 1 HHAF Cc1ccc(-n2ncc3c(-c4ccc(C)cn4)cc(C(=O)N[C@@H](C)CO)cc32)cc1 142239091 MHJPMFHNGKTJHR-KRWDZBQOSA-N 400.482 3.815 0 1 HHAF CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169001456 HYGWSJJGGPMNNN-PUZFROQSSA-N 414.590 3.637 0 1 HHAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccccc1)CC2 169361738 IGMRUXJGIQSJAC-JQYIIUTOSA-N 422.544 3.952 0 1 HHAF CN1C(=O)[C@]2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 169700383 HJLLROHCPQJCME-JOCHJYFZSA-N 424.342 3.553 0 1 HHAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(F)(Cc2ccc(Cl)cc2F)CC1 207315127 UWMGWHFTRQZUNM-UHFFFAOYSA-N 417.909 3.565 0 1 HHAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4cccc(C5CC5)n4)nc3n2)C1)N1CCCC1 221405880 DWPAQKKFVFUXGW-QGZVFWFLSA-N 416.529 3.736 0 1 HHAF CC(=O)OC[C@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@H]12 238756552 DVILVCNQCLDLLF-LCJMPLAASA-N 418.530 3.855 0 1 HHAF CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 254134679 XKJCSUZLEZLYSO-SHTZXODSSA-N 409.552 3.710 0 1 HHAF C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(-c3cncc(Cl)c3)ccc1O2 299822599 CZWAIHBNPBVKHE-IHPCNDPISA-N 401.919 3.989 0 1 HHAF COc1ccc(C=O)c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)oc12 586903321 IONUFSWIEJLQBP-UHFFFAOYSA-N 415.409 3.857 0 1 HHAF O=C1COc2cc3[nH]c(/C=C\c4cc5c(cc4Br)OCO5)nc3cc2N1 586998206 HFJQCCIPLJQDIV-UPHRSURJSA-N 414.215 3.555 0 1 HHAF O=C(c1ncsc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 587276356 MXEMWTNWCVLLCN-UHFFFAOYSA-N 407.167 3.789 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N1CCOCC1)O2 587378925 WUXOYPTUMUEKIV-IBGZPJMESA-N 417.303 3.883 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587451349 XJEQGIUJTOVQPW-LEDOBFOHSA-N 412.507 3.906 0 1 HHAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1sc(-c4ccc(C)n4C)nc1C)[C@@H](C2)C3=O 587452115 QKMGHCRYRVQHKB-RCDICMHDSA-N 424.478 3.502 0 1 HHAF COC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587590791 ASBHYRUDZYTMCE-QPPBQGQZSA-N 420.417 3.821 0 1 HHAF C[C@@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605515 DBQFNSWKAKYSNE-UGKGYDQZSA-N 410.447 3.586 0 1 HHAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 587638400 GDCUBFXXVAJJGK-GFCCVEGCSA-N 402.447 3.767 0 1 HHAF CCOC(=O)C[C@@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834538 LFQDHEPNDGTQIA-BUXKBTBVSA-N 414.315 3.698 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(-c2ccccc2)n1C 587868192 HSLAESWJDYNGCY-UHFFFAOYSA-N 400.364 3.757 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 963603879 CKRFGWPVMFFFEF-OMLFBPBOSA-N 402.535 3.709 0 1 HHAF Cc1cc(C)cc(Nc2cccc(-c3c(C)nnn3C3CCN(C(=N)N)CC3)n2)c1 1857583580 KEWZHLXKQSXXAR-UHFFFAOYSA-N 404.522 3.539 0 1 HHAF c1ccc2c(c1)CN[C@@H](CN(CCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 1857636103 HRURMUJQOQRMOO-RPBOFIJWSA-N 404.602 3.865 0 1 HHAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](C)[C@H]3O 2356811999 BHHUWPSLCSJSDB-VORNSLMOSA-N 422.606 3.695 0 1 HHAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCCCC1)O2 2489272 NLBYSDDXQYNXCN-FQEVSTJZSA-N 404.551 3.606 0 1 HHAF O=C(CCn1c(=O)c2cccn2c2cccnc21)Nc1ccccc1C(F)(F)F 8588887 WKMVSENAULFLTB-UHFFFAOYSA-N 400.360 3.697 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)O)cc2c1[nH]c1ccccc12 24984340 MZNKMTMMGNKMDZ-ZDUSSCGKSA-N 403.438 3.985 0 1 HHAF biogenic CCCc1ccccc1OC[C@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 27210219 ZGOJHWUAKDNQSW-SYERDGIWSA-N 413.495 3.782 0 1 HHAF O=C(Nc1cccc2c1C[C@H](O)[C@H](N1CCC(c3ccccc3)CC1)C2)C(F)(F)F 28234218 VQKOGRBVBGYRKT-RTWAWAEBSA-N 418.459 3.895 0 1 HHAF O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 40975200 CGZDFXCZEPGXEE-UHFFFAOYSA-N 400.438 3.837 0 1 HHAF CCOCn1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)NC2)c2ccccc21 42922268 QEIHPMKEVRZNEO-UHFFFAOYSA-N 422.481 3.702 0 1 HHAF CN[C@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 45286440 QXSRGQRPCNIFBV-AWEZNQCLSA-N 408.350 3.521 0 1 HHAF COc1cc2nc3c(c(Cn4ccnc4)c2cc1OC)Cn1c-3cc2ccccc2c1=O 58582339 MRYDKYBPHGFSCM-UHFFFAOYSA-N 424.460 3.840 0 1 HHAF Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccc3[nH]ncc3c2)cc1 66073645 HLFSCVDUUVJVCD-UHFFFAOYSA-N 405.477 3.955 0 1 HHAF COc1ccc(CNc2nc(N3CCCC3)nc3cc(OC)c(OC)cc23)cc1OC 82136592 FMXFJOOJQRZEIF-UHFFFAOYSA-N 424.501 3.877 0 1 HHAF COc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCN2CCCCC2)cc1 82179191 JILACIQRQUBPAO-UHFFFAOYSA-N 406.534 3.810 0 1 HHAF CC[C@@H](C)O[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC 84742581 DYXPXIMMCYLCST-HMCSHOMXSA-N 406.482 3.694 0 1 HHAF CCOC(=O)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC 95557646 YZLGXZNPEQWGMM-QGZVFWFLSA-N 402.447 3.653 0 1 HHAF Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccn1 96173105 NRCOGRPQXQXDKP-UHFFFAOYSA-N 401.514 3.742 0 1 HHAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(F)c2)C[C@H]2CC[C@H]1N2C 100911897 MFXOPVPJQXKRIK-GADXADSLSA-N 401.263 3.976 0 1 HHAF CCC(CC)c1nc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2C)cs1 140025628 ISNICYGFBLCYEB-ZDUSSCGKSA-N 407.565 3.960 0 1 HHAF CC1=Nc2nc(CCCO)nn2[C@H](c2cccc(C)c2)[C@H]1C(=O)Nc1ccc(F)cc1 169687784 JDEGATQTPCXFFU-LEWJYISDSA-N 421.476 3.601 0 1 HHAF COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(N(C)C)cc1 169696776 MPZLYTVFEBBXHY-OAQYLSRUSA-N 420.513 3.504 0 1 HHAF COc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)c1 204907222 GDPIDLOAVHVSMK-UHFFFAOYSA-N 407.875 3.948 0 1 HHAF O=C(Nc1cnccc1OC1CCNCC1)c1csc(-c2c(F)cccc2F)n1 205520433 FTEJBTVRJIRRSV-UHFFFAOYSA-N 416.453 3.866 0 1 HHAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3-c3nn[nH]n3)c2F)cn1 212178669 XSWUWGIXBJLTJA-UHFFFAOYSA-N 417.448 3.892 0 1 HHAF CC[C@H]1O[C@@H]1C/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 238745328 QGOOHFJSKVIFAC-NNPZXKCGSA-N 422.566 3.622 0 1 HHAF COc1cncc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c12 586930824 HWEFQRCHKODZTP-UHFFFAOYSA-N 408.483 3.767 0 1 HHAF COc1cccc(CONC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660040 MPZGOWBXBJEZMS-UHFFFAOYSA-N 419.412 3.901 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3c(c2)CCC3)N1 587825738 FBJOODJWARIYSA-PRWKNARSSA-N 404.279 3.939 0 1 HHAF CCC[C@@H]1CC(=O)C[C@]2(C1)c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963152974 UUVKOGCQYIYCKE-ASNKJTAVSA-N 408.520 3.754 0 1 HHAF Cn1c(C(=O)NC2(c3ccc(CO)cc3)COC2)cc2c(Cl)c(Cl)ccc21 1857544215 SOTJPDGLCOSZOR-UHFFFAOYSA-N 405.281 3.633 0 1 HHAF CCc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 13596526 PUPZJKCECXRUAU-HXUWFJFHSA-N 410.562 3.578 0 3 HHAF CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 61902611 DAIDAZAFJVDURE-FQEVSTJZSA-N 400.525 3.613 0 3 HHAF CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 205232113 MQHPXADYBWLPKO-MAUKXSAKSA-N 422.909 3.855 0 3 HHAF CCOc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 2724874 VVOGZCRADGIJPY-NDEPHWFRSA-N 415.902 3.939 0 1 HHAF O=C(CCCN1C(=O)c2ccccc2Sc2ncccc21)NCc1ccccn1 6797053 MUNLVKZYPOGUOV-UHFFFAOYSA-N 404.495 3.685 0 1 HHAF Cc1c(O)c(C(=O)[C@@H](O)Cc2ccccc2)c2oc(=O)cc(-c3ccccc3)c2c1O 14556214 NZYPVESEAWYSEE-SFHVURJKSA-N 416.429 3.966 0 1 HHAF biogenic Cc1ccc(C[C@@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 27618520 ZUSRTVWCIUMUCE-INIZCTEOSA-N 422.428 3.838 0 1 HHAF CC(C)NC[C@H](O)COc1ccc(OCCOCCc2ccccc2)cc1Cl 29333085 OCOBMHGQEJFROT-IBGZPJMESA-N 407.938 3.716 0 1 HHAF CCCC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@@]12[C@H]43 40403973 VDGDSNQYFYXHGB-UICSVDPISA-N 420.546 3.795 0 1 HHAF O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NC1Cc2ccccc2C1 58638650 WPYONCCHSGJKIH-UHFFFAOYSA-N 401.510 3.728 0 1 HHAF COc1cc(CC[C@]2(OC(C)=O)CC[C@H](CCCCCCO)[C@H](O)C2)ccc1O 85627722 MZUJFBWKTSQUIW-WPYKKVEZSA-N 408.535 3.739 0 1 HHAF biogenic,in-vitro Cc1nn(-c2cc3nc(S[C@H](C)C(=O)O)sc3cc2Cl)c(=O)n1C(F)F 103196763 FQIBFLUWSZLXPW-RXMQYKEDSA-N 420.850 3.566 0 1 HHAF O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC1=S 103229852 UKFYQVHQJXQKLS-YWXUCKCNSA-N 418.474 3.700 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)OC[C@H]3C(C)C)c2)c(F)c1 113542624 DRAPDSWDHFUIHZ-BTYIYWSLSA-N 414.477 3.893 0 1 HHAF Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(F)c3)c(N3CCOCC3)c2c1 201540156 XZIJMGICLIPAIV-UHFFFAOYSA-N 400.475 3.660 0 1 HHAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCCC(F)(F)C4)ncn3)c2c1 225561221 DKJBFYQODWFUBX-ZDUSSCGKSA-N 403.433 3.669 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC/C=C\I)[C@@H](c1ccccc1)C2 253782730 PTARSFHGDDMYOJ-RGEBDTKGSA-N 411.283 3.745 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2cccc(O)c2)cc1 299860406 GPJAJRBERGQWNQ-GMAHTHKFSA-N 419.506 3.568 0 1 HHAF Oc1ccc(C2(c3nc4ccc(I)cc4[nH]3)CCOCC2)cc1 586913079 MBMKTNPACADSKD-UHFFFAOYSA-N 420.250 3.970 0 1 HHAF COc1cncc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961833 SZQYDDMKGPVLIK-OLMNPRSZSA-N 412.515 3.661 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3cc(Br)ncc3[nH]2)cc1 586971007 RGCGTGOBCGVVMO-UHFFFAOYSA-N 405.321 3.943 0 1 HHAF N[C@H](N=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000090 FMJSUULWAZGMEZ-YKVJVKFWSA-N 415.247 3.991 0 1 HHAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc12 587038329 QUVFKSLEWZZDFM-MRVPVSSYSA-N 419.413 3.632 0 1 HHAF Cc1cncc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587108672 OKLKACMHHUBWQH-AWEZNQCLSA-N 410.421 3.811 0 1 HHAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2)cc1F 587147852 SUTXXEZBTUCIOA-UHFFFAOYSA-N 424.867 3.517 0 1 HHAF C[C@@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353230 MPBZYEMJRGHNOV-FJIJXJHWSA-N 422.408 3.924 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 587358769 XHWZGGNWRVEGOC-NZQKXSOJSA-N 408.381 3.662 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)o1 587582933 PNTFLLYETGRKEK-REWPJTCUSA-N 407.422 3.649 0 1 HHAF O=C(O)Cc1c(-c2ccc(I)cc2)[nH]c2c(C(=O)O)cccc12 587637943 JGYVHFVPXWAUSG-UHFFFAOYSA-N 421.190 3.765 0 1 HHAF Cc1nn([C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br 587651470 UKFYDJVLLCXONK-JTQLQIEISA-N 409.671 3.527 0 1 HHAF Cc1ccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc1C 653700762 ZFLALEAXUVDOQL-YRGVVPAESA-N 403.500 3.754 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962695070 CRKAPRMDPNIOPH-UZUQRXQVSA-N 413.514 3.785 0 1 HHAF CN1C(=O)C[C@H]2CN[C@@H](c3cc(C(=O)c4ccc(F)cc4)cn3C)c3cccc1c32 963016963 DDYSSPSXTCZEIJ-NPMXOYFQSA-N 403.457 3.538 0 1 HHAF O=c1oc2ccccc2c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1CO 1772582527 RWPPTTDPPUZTNO-UHFFFAOYSA-N 405.281 3.919 0 1 HHAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)nc1Cl 1772605613 RLRJQQRNOKCEKE-UHFFFAOYSA-N 408.285 3.512 0 1 HHAF NC(=O)c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1 1857772079 ALJDCZZWSNEHJZ-UHFFFAOYSA-N 412.493 3.599 0 1 HHAF COc1ccc(CN2CC[C@@H](CC(=O)O)[C@H](Cc3nc4cccc(OC)c4[nH]3)C2)cc1 2356685967 MXSGRVGLKBRYTN-ZWKOTPCHSA-N 423.513 3.736 0 1 HHAF COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3sccc3C)C2)cc1OC 11878322 AINKMQBSVUMJFR-SFHVURJKSA-N 402.560 3.853 0 3 HHAF O=C(NCc1ccccc1)c1cc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)on1 61902578 GPJBRSBBLPQYAK-NRFANRHFSA-N 417.509 3.943 0 3 HHAF COCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)C1 61904960 FMEAXNHQVXAANW-XMMPIXPASA-N 400.563 3.650 0 3 HHAF C=Cc1ccc(Cn2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2=O)cc1 61907533 TYXAXVWSMQSVCB-UHFFFAOYSA-N 422.506 3.611 0 3 HHAF O=C(NCCCNC(=O)c1ccc2cc(O)ccc2c1)c1ccc2cc(O)ccc2c1 1647693 MXGXSZFLBYRUBQ-UHFFFAOYSA-N 414.461 3.954 0 1 HHAF CN(CCSc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1 3804352 FSKSQMQNCXZCHI-QGZVFWFLSA-N 413.524 3.950 0 1 HHAF O=C(O)Cc1nn(Cc2nc3c(Cl)c(Cl)ccc3s2)c(=O)c2ccccc12 13860763 DKSVFBBBGSQAKT-UHFFFAOYSA-N 420.277 3.988 0 1 HHAF O=C(O)CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cc3ccccc3s2)c1=O 25435308 IKVCJJMMJJQGNY-ZBFHGGJFSA-N 422.506 3.541 0 1 HHAF biogenic COC(=O)[C@@H]1[C@H](c2ccc(/C=C\I)cc2)C[C@@H]2CC[C@H]1N2C 34231277 ABXUYGWOEIXKBD-MUPNGDNISA-N 411.283 3.832 0 1 HHAF CCOC(=O)c1cc2cc(OC)ccc2n1C(=O)c1cc(OC)c(OC)c(OC)c1 40410962 MDHNXVXIXMDAPH-UHFFFAOYSA-N 413.426 3.541 0 1 HHAF COc1ccc(S(=O)(=O)c2c(O)n(Cc3ccccc3)c(=O)c3ccccc23)cc1 40632115 CHLGSHCJLYRRTO-UHFFFAOYSA-N 421.474 3.597 0 1 HHAF S=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)Nc1ccccc1 43527036 XCQJPZWGCKRXGX-JCTONOIOSA-N 420.626 3.742 0 1 HHAF biogenic O=C(NN1C(=O)CCS[C@H]1c1cccc(OCc2ccccc2)c1)c1ccncc1 84635739 IJYQEZZFKFQXIE-QHCPKHFHSA-N 419.506 3.970 0 1 HHAF O=c1cc(O)n(CCc2ccc(OCc3ccccc3)cc2)c(=O)n1C1CCCC1 96270102 CNOSLWQSEHLYSO-UHFFFAOYSA-N 406.482 3.652 0 1 HHAF CC(C)CCn1c(=O)c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 101655134 NUPPXQHGDVESAB-UHFFFAOYSA-N 410.495 3.951 0 1 HHAF CCc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1O 103250016 XECYRWNAQVMLFN-UHFFFAOYSA-N 404.474 3.528 0 1 HHAF NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)ncnc12 114347997 AKPRVQKEQOLLND-UHFFFAOYSA-N 415.428 3.732 0 1 HHAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2cccc3c2ccn3C)C(=O)O1 169353134 DDBJOZVQHUZKJJ-MFGYPMPUSA-N 413.514 3.999 0 1 HHAF CC(=O)OC[C@H]1[C@H]2CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@@H]2CC[C@H]1[C@H](C)OC(C)=O 299816437 ZAFHWUCEOHMPTI-MZEBWFJFSA-N 408.535 3.902 0 1 HHAF CCOc1ccc2cc(-c3cc(CN4CCNCC4)cc4[nH]nc(N)c34)ccc2c1 584905537 ZBGMTSWSDGHDMV-UHFFFAOYSA-N 401.514 3.769 0 1 HHAF in-vitro C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1 586961557 KDTFAJVMFWYJJL-SCSAIBSYSA-N 402.224 3.535 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1OC 587082868 YBURYGYEEGHCRQ-UHFFFAOYSA-N 412.833 3.912 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc(I)c1)[C@@H](C2)C3=O 587428775 QQUMNRULMYCDRF-SUMWQHHRSA-N 410.182 3.928 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580417 HZBWUHBHIAXECP-BNLBFUSQSA-N 419.481 3.675 0 1 HHAF COc1cccc(C[C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804755 BRGDHSDFFPAUFC-WLRWDXFRSA-N 408.267 3.654 0 1 HHAF CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 587826188 DDLUBDUWQNIVQQ-NSPYISDASA-N 424.266 3.747 0 1 HHAF CN1CCCN(Cc2ccc(-c3ccc(CN4CCCN(C)CC4)cc3)cc2)CC1 653700297 TWFFUNAOPDQCSB-UHFFFAOYSA-N 406.618 3.629 0 1 HHAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCc1ccncc1)CC3 1772579540 ZWAJJLJIEMLOAL-GOSISDBHSA-N 402.523 3.548 0 1 HHAF C[C@H]1CN(Cc2ccccc2)C[C@H]1c1nc(=O)c2cnc(-c3ccc(F)cc3F)n2[nH]1 1772609216 WJWMVEDBYNDNIU-KBXCAEBGSA-N 421.451 3.598 0 1 HHAF CCCn1nc(C)c2c1NC(=O)[C@@H](NC(=O)c1cccc(C)c1)[C@@H]2c1ccc(F)cc1 1857562171 ICUSOEKUKOQPOR-RTWAWAEBSA-N 420.488 3.932 0 1 HHAF CCn1c([C@@](O)(c2ccccc2)c2ncccc2C)nc2ccc(CCCO)cc21 1857576529 JWMCJEAICHMDTE-RUZDIDTESA-N 401.510 3.969 0 1 HHAF N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ncccc45)c3c2)C1 1857645063 DNAOYMQGESKHSQ-CABCVRRESA-N 400.486 3.733 0 1 HHAF CCN(CC)C(=O)[C@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@@H]2N(C)C1 2040487 VKRAXSZEDRWLAG-SJCJKPOMSA-N 402.336 3.669 0 1 HHAF in-vitro CN(C)C(=O)OC1=CCCN(C)[C@H]1COC(=O)C(C)(c1ccccc1)c1ccccc1 13472431 VIDNTYNTQCPFGA-NRFANRHFSA-N 422.525 3.822 0 1 HHAF CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25434161 ZWZNLUGLEWPUDI-LSDHHAIUSA-N 401.894 3.958 0 1 HHAF biogenic O=C(Cc1cccs1)N[C@@H]1CCN2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2C1 33910521 VMGQGQGWTGWVQO-UZLBHIALSA-N 419.506 3.560 0 1 HHAF biogenic O=C(NCCCn1cnc(Cl)c1Cl)c1ccc(O)c2[nH]c(-c3ccco3)nc12 73297566 HGSDLYGGJSEMFM-UHFFFAOYSA-N 420.256 3.852 0 1 HHAF COc1cc2c(-c3ccc4c(c3)OCO4)c3c(c(O)c2c(OC)c1OC)COC3=O 95486302 LYXHFFLCDMOEKH-UHFFFAOYSA-N 410.378 3.637 0 1 HHAF biogenic,in-vitro Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc21 95562623 ZWBYSALZHQDDEL-UHFFFAOYSA-N 419.533 3.703 0 1 HHAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)c1cccnc1 118402736 PYEVULUZURCWQW-LJQANCHMSA-N 402.433 3.857 0 1 HHAF CC1CCC(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CC1 149353042 ODNOICJNCOVJTI-ACBHZAAOSA-N 414.571 3.996 0 1 HHAF COc1ccc([C@@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC 169715446 DPSXMDPPIOOOCX-FKIZINRSSA-N 419.886 3.732 0 1 HHAF CCCCCCOc1ccc(NC(=O)[C@H]2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 169727272 RVPUQYARQQXXNQ-SFTDATJTSA-N 408.498 3.511 0 1 HHAF CC1CCN(C(=O)c2ccc(-c3ccc(F)c(CN[C@@H](CO)C(C)C)n3)cc2)CC1 204420068 DYHYWXPUDBNIBT-QHCPKHFHSA-N 413.537 3.866 0 1 HHAF COC[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)c1ccccn1 261180926 WBHXUEAXCYZFRF-SFHVURJKSA-N 406.421 3.668 0 1 HHAF COc1cccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 586937624 RBAKSSCFUMADDE-MRXNPFEDSA-N 419.572 3.961 0 1 HHAF N=C(N)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586959301 JKKQSYNZPKXAEN-UAOJZALGSA-N 423.542 3.541 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc12 587017257 JXTJUXNLYPFXNQ-UHFFFAOYSA-N 402.439 4.160 0 1 HHAF N=C(N)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091436 KSYOWEYVAXPOQK-UHFFFAOYSA-N 403.286 3.869 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136556 RPORSUPMIQHQPG-UHFFFAOYSA-N 416.247 3.521 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)c(F)c2)c1 587147480 OWQFHKJKXWKGCT-UHFFFAOYSA-N 412.402 3.527 0 1 HHAF CC[C@H](c1nc2c(Cl)ccnc2[nH]1)n1cc(I)c(C)n1 587185263 JGFOQPQBNMASRY-SNVBAGLBSA-N 401.639 3.720 0 1 HHAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587234695 IBCRVNPFGPNLBV-NWDGAFQWSA-N 420.366 3.823 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(Br)c1)[C@@H](C2)C3=O 587420034 VRQLJPLRMGENLH-YWZLYKJASA-N 416.271 3.993 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(NC(=O)C4CC4)cc1)[C@@H](C2)C3=O 587433003 OEBSFFGZNLUKFU-MHECFPHRSA-N 420.465 3.579 0 1 HHAF COc1ccc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC 587581866 XMGBGZZOXVUPTL-WMZHIEFXSA-N 407.422 3.869 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 587735512 QDCVKGAMXJQSDT-MLCYQJTMSA-N 405.246 3.672 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H](N)C(=O)O)(c2ccccc2)N1 587750852 VETJRVCQDFADOD-QROBEVECSA-N 421.310 3.558 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCC(=O)O)N1 587792390 KSBXCGBMMQYECP-WYRIXSBYSA-N 408.267 3.849 0 1 HHAF CC(C)C(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12 653790190 MVAAQBPLRMHHAA-UHFFFAOYSA-N 401.514 3.845 0 1 HHAF Cc1nc2c(C)cccn2c1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691326 CCQGWVULHSJMCR-JKSUJKDBSA-N 407.367 3.797 0 1 HHAF NC[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926651 STPRERRRYVOYTF-GMAHTHKFSA-N 424.884 3.639 0 1 HHAF O=C1N(CCO)Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]12Cc1ccccc1 1857561465 LEKWYNAILQLVDO-OZXSUGGESA-N 412.489 3.521 0 1 HHAF CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@](O)(C(C)C)C[C@@H]12 1857599033 AZFMSHDJGVYLPE-OFYVRZMWSA-N 402.487 3.967 0 1 HHAF N[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ncccc45)c3c2)C1 1857645066 DNAOYMQGESKHSQ-LSDHHAIUSA-N 400.486 3.733 0 1 HHAF Cn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)NCCc2ccco2)n1 1857747631 UDUHTTQJLOFKLK-UHFFFAOYSA-N 407.257 3.545 0 1 HHAF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(C(=O)O)cc2)n1 1857752396 HFOKULSPSNVZMV-UHFFFAOYSA-N 408.241 3.965 0 1 HHAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356317243 ABLXZFFQKWVNFJ-HBMCJLEFSA-N 409.530 3.966 0 1 HHAF COC(=O)CC[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356410402 KMZOVYXDQXJEON-PREWMCBXSA-N 422.606 3.537 0 1 HHAF CC[C@H](C)C(=O)Nc1nc2c([nH]1)C[C@@H](c1cnc(NC(=O)c3ccccc3)[nH]1)CC2 2356790561 FSEAGKJOZOEDRV-ZFWWWQNUSA-N 406.490 3.642 0 1 HHAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccc(F)cc1 29317761 BTTDPLCDPXPOEM-AHJNKEMKSA-N 410.526 3.683 0 1 HHAF CN(C)CCN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43019261 SULKMHQPINMVTR-UHFFFAOYSA-N 409.553 3.686 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cnccc21 45245912 DRTFYIISEIDZMV-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF CN(C)c1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12 59097277 JMYRAFSCTWQKQF-UHFFFAOYSA-N 409.440 3.933 0 1 HHAF CCc1ccc(C(=O)NC[C@@H]2CN(c3cc(C)nc4ccc(OC)cc34)C(=O)O2)cc1 72120404 JHNANLPSADWOBQ-LJQANCHMSA-N 419.481 3.869 0 1 HHAF C[C@@H](C(=O)NCc1ccc2ccccc2c1)c1ccc(NS(C)(=O)=O)c(F)c1 73219588 OGHRHBJWRKPAEH-CQSZACIVSA-N 400.475 3.770 0 1 HHAF CCCCN(CC)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 82067026 UGYQQHLAZPJRNB-UHFFFAOYSA-N 403.527 3.873 0 1 HHAF C[C@@H]1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CC(C)(C)CC1=O 82151756 VWTPZJVBGNEPIU-LJQANCHMSA-N 422.573 3.701 0 1 HHAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 82209864 WSXSPXCPVXBMGR-HXUWFJFHSA-N 422.504 3.670 0 1 HHAF Cc1ccc(Oc2cccc(CN3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)c2)cc1 95574650 YMESTQZRALYQOC-FQEVSTJZSA-N 405.498 3.783 0 1 HHAF Fc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3[nH]ncc23)cc1 96928454 OOFJTZQVWIXPHP-UHFFFAOYSA-N 403.465 3.558 0 1 HHAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1 100106880 XNANZKGWOSNFEO-JKHIJQBDSA-N 408.498 3.621 0 1 HHAF CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2C 100741732 ZAQLTGAFVMGUMB-VVLHAWIVSA-N 413.299 3.809 0 1 HHAF N[C@H]1CC[C@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 115456283 SGAITOWYMYEPQN-IYBDPMFKSA-N 416.957 3.712 0 1 HHAF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)n1 169709366 KQZHSGJVZQUPBT-OXJNMPFZSA-N 413.518 3.734 0 1 HHAF CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)c1 216474702 HRAGREQODMBNFS-FQEVSTJZSA-N 413.529 3.928 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 299876910 GLFTVHAVDQJJPP-HMXCVIKNSA-N 412.530 3.817 0 1 HHAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 299883555 RNIWBBFTXTVNKX-QKNQBKEWSA-N 410.857 3.875 0 1 HHAF CNC(=O)[C@@H]1Cc2cc(-c3ccccc3)ccc2N1C(=O)COc1ccc(F)cc1 473135572 JQNBSFRDBFCIRV-QFIPXVFZSA-N 404.441 3.575 0 1 HHAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(C(=O)OC)ncc4[nH]3)ccc12 586918059 ICHRHVCCCZVWKB-UHFFFAOYSA-N 407.426 3.773 0 1 HHAF CCS(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587081341 ZESLRYZHZZVQSC-OAHLLOKOSA-N 402.907 3.734 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587126461 KLJRXENAUXKUMN-UHFFFAOYSA-N 419.469 3.581 0 1 HHAF C[C@@]1(c2ccc(NS(C)(=O)=O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508351 VBFYBUCQZUKQBF-NRFANRHFSA-N 403.475 3.957 0 1 HHAF O=C1C[C@]2(CCN(Cc3ccccc3)C[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587517879 WSFOJQUKINRTTR-BWKNWUBXSA-N 405.494 3.876 0 1 HHAF C[C@@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537920 BTKQAUUJQDLWEG-HNAYVOBHSA-N 413.227 3.822 0 1 HHAF CN(C)C(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587568662 COJYADFAECOTRT-QPPBQGQZSA-N 419.433 3.562 0 1 HHAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587590660 CVWDGHLZEOMHAY-UGKGYDQZSA-N 406.390 3.890 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)[C@H]1CCCNC1 587591892 FLRBLRIAPRMVCD-SWDVRCMSSA-N 402.450 3.644 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc3c(cc12)OCO3 587606484 DFASBSRYVUAGHM-OFNKIYASSA-N 404.374 3.761 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cnn[nH]2)N1 587735514 QDCVKGAMXJQSDT-YPMLDQLKSA-N 405.246 3.672 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 587839597 HTEIBYSMDFXIKE-BMLIUANNSA-N 413.312 3.583 0 1 HHAF CS(=O)(=O)c1ccc(F)c([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961329006 WQTDWSQTTGUURY-QGZVFWFLSA-N 410.308 3.759 0 1 HHAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(Cn3cccn3)cc2)N1 962699542 PAMOSPHJEIPJIE-MOPGFXCFSA-N 419.378 3.778 0 1 HHAF COC(=O)[C@]1(CC(=O)c2ccc(-c3ccccc3)cc2)NCCc2c(C)ccnc21 963064618 BGRHNVDTLINAQO-RUZDIDTESA-N 400.478 3.844 0 1 HHAF COC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1Br 963613210 UOLAYTXZGUBHHT-WLRWDXFRSA-N 420.303 3.877 0 1 HHAF CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@](O)(C(C)C)C[C@H]12 1857607675 AZFMSHDJGVYLPE-UHQRYESRSA-N 402.487 3.967 0 1 HHAF CC1=C[C@H](CNC(=O)CCCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356286507 ADJFVEXCUYURPK-RCCFBDPRSA-N 412.534 3.726 0 1 HHAF CC[C@H](C)[C@@H]1C=C[C@@H]2[C@H](O)[C@H](OC(=O)C=C(C)CC(=O)O)C[C@H](C)[C@H]2[C@]1(C)C(C)=O 2356573233 FUTZVCABGNACKX-ZYUWTIHGSA-N 420.546 3.780 0 1 HHAF COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1OC 1330217 BOLXQXUDZQZDPJ-UHFFFAOYSA-N 402.516 3.779 0 3 HHAF COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)n2)cc1 6833643 BRWBPUNYAYHPPG-UHFFFAOYSA-N 414.412 3.879 0 3 HHAF COc1ccc(C2=Nc3ccccc3[C@@]2(O)CCN2C(=O)c3ccccc3C2=O)cc1 61936213 GUQLPLWGBYFMOF-VWLOTQADSA-N 412.445 3.704 0 3 HHAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)s2)cc1 13761837 BKFJGWJMNRLCOI-UHFFFAOYSA-N 407.826 3.920 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1 14945653 WTSCQEQAVHQMII-UHFFFAOYSA-N 424.526 3.669 0 1 HHAF CC(C)(C)NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 27652796 SLWFEUITEJIEHH-IEBWSBKVSA-N 404.551 3.546 0 1 HHAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccn3)CC1)OC(C)(C)C2 27894044 WMKWVXJNJARLOH-FQEVSTJZSA-N 411.546 3.704 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 33820796 ZWJKADHYMMKURY-DGXPQWCKSA-N 406.563 3.657 0 1 HHAF CC[C@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 43742844 YPURBVJRAJCDAH-VZDNWZCBSA-N 401.510 3.960 0 1 HHAF biogenic COc1cc(Nc2ccnn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 59149266 DOGQJERJKZUYSX-UHFFFAOYSA-N 405.433 3.677 0 1 HHAF O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)nc1)N1CCCC1 72114860 PUVQXHUXOFFILU-NQIIRXRSSA-N 411.571 3.908 0 1 HHAF COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCCOC(C)C)n2)cc1 82195692 BBICCFNCHLBTMB-LJQANCHMSA-N 403.548 3.719 0 1 HHAF COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)N(C)C)cc2C1 84711585 KCBAOBHPFLJJOL-KRWDZBQOSA-N 408.907 3.734 0 1 HHAF Cc1ccc2c(c1)CN(C[C@H](CO)N1CCC(c3noc4cc(F)ccc34)CC1)C2 89455455 MUXRCMBCLRYUGM-OAQYLSRUSA-N 409.505 3.831 0 1 HHAF CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 95574384 LNLHSSBZJJKVNL-UHFFFAOYSA-N 420.550 3.771 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 95604986 SQSJKSLJDONIBK-UHFFFAOYSA-N 406.463 3.592 0 1 HHAF O=C(CCCOc1cc(=O)oc2ccccc12)NC1CCN(Cc2ccccc2)CC1 96271528 OQQJACYMHXMQOJ-UHFFFAOYSA-N 420.509 3.733 0 1 HHAF CC(C)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 104016887 QORNEZDTDQMMIQ-GOSISDBHSA-N 413.477 3.756 0 1 HHAF CN(C(=O)CCc1c(Cl)cccc1Cl)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149036687 MAKRSEHTXTUCFZ-CYBMUJFWSA-N 418.328 3.935 0 1 HHAF O=C(O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12 149681799 QVELLOOBNULIGQ-UHFFFAOYSA-N 419.407 3.743 0 1 HHAF in-vitro Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NC1CCN(C)CC1 203539936 WNZGPMKWLNIIEW-UHFFFAOYSA-N 424.936 3.507 0 1 HHAF COC(=O)[C@@H]1CCC2=C(CC[C@@H](C)[C@]23C[C@@H](c2ccoc2)OC3=O)[C@]1(C)C(=O)OC 204887181 RFJWUDNEMAPOJK-WWKKAEAFSA-N 416.470 3.743 0 1 HHAF C[C@@H]1CN(CCN(C)C(=O)CCc2ccc(O)cc2)CC[C@]1(C)c1cccc(O)c1 253637558 ICALOHJSRJGEMV-CLOONOSVSA-N 410.558 3.789 0 1 HHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCCCCn1ccnn1)[C@@H](c1ccc(Cl)cc1)C2 253731456 ACGWDXHPVXMSNJ-WOZUAGRISA-N 416.953 3.912 0 1 HHAF COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)oc(=O)c1C 257610191 WQOZGNFAVRFSGE-PDMYIUSSSA-N 416.514 3.626 0 1 HHAF endogenous,in-man O=C1C[C@H](Sc2nncn2-c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 299855457 BCFWUZCCNREWQA-HNNXBMFYSA-N 419.293 3.998 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586972260 GBXSCQRIEFDEGI-OAHLLOKOSA-N 405.426 3.995 0 1 HHAF Cc1cc(F)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 587000117 MIIRXIFLGCOZKR-UHFFFAOYSA-N 404.239 3.741 0 1 HHAF O=C1CCc2cc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3cc2N1 587003239 RRVDESFXVROKIG-UHFFFAOYSA-N 410.275 3.803 0 1 HHAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587360835 WSUZDCSYLQWSNX-JTHBVZDNSA-N 406.365 3.800 0 1 HHAF O=C(O)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594341 GQYSYPBDEQYSNR-OFNKIYASSA-N 406.390 3.949 0 1 HHAF Cc1cc(C)n(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657041 QWXBOHQCAJRUDL-UHFFFAOYSA-N 408.408 3.886 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587708885 FRVKNAAWCCHPTL-AYVTZFPOSA-N 404.205 3.736 0 1 HHAF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C1CC1 587756817 FOFSIQNHEXLYRM-APBUJDDRSA-N 407.283 3.668 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2COC(=O)C2)N1 587836342 SURLHUAELVYEAL-URFZZILJSA-N 404.279 3.929 0 1 HHAF Nc1nc2cc([C@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)ccc2o1 962923122 MJIIOMUBXXZZCL-PZJWPPBQSA-N 417.421 3.596 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H]([C@H]2N[C@@H]2c2ccccc2)N1 962930034 VRAWLGUGLHWETL-AFXVXQJMSA-N 402.450 3.538 0 1 HHAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12c1c(F)cccc1C[C@H]1CCCN12 963101399 RKDLHHFEWXGEQB-XITLKHQFSA-N 404.526 3.991 0 1 HHAF O=C(Nc1nn[nH]n1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772582437 LZSHMUQKFAVSIT-PKNBQFBNSA-N 423.440 3.637 0 1 HHAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(Cl)cc1 1772588199 WMDFOUUNXWEBFQ-HKBOAZHASA-N 402.897 3.974 0 1 HHAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1cccc(C(F)(F)F)c1 1772643078 ZVNXQPCSLBLFIT-SBSMOFILSA-N 419.399 3.860 0 1 HHAF COc1cccc(CNC[C@@H]2O[C@@H](Cc3cc(-c4ccccc4)on3)CC[C@H]2O)c1 2356609140 PEDOIBZNWKJBDN-AKFKNWHVSA-N 408.498 3.591 0 1 HHAF COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 61923940 KLDVBUSQZRJHLA-YPAWHYETSA-N 410.543 3.775 0 3 HHAF CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1 28528868 RDTMBNGZUMUZNP-UHFFFAOYSA-N 406.917 3.843 0 1 HHAF CCO[C@@H](Cc1ccc(OCCN2c3ccccc3O[C@@H]3C=CC=C[C@@H]32)cc1)C(=O)O 34232359 ACYMEKQXUVUFGC-FJIJXJHWSA-N 421.493 3.860 0 1 HHAF CN(Cc1cn2c(N3CCN4CCC[C@@H]4C3)cccc2n1)[C@H]1CCCc2cccnc21 35969082 RZBMNHLGYITPKH-YADHBBJMSA-N 416.573 3.523 0 1 HHAF CC(C)CNC(=O)c1cnc(NCC[C@H]2CCCN2C)nc1NCC1CCCCC1 45357502 MRUAOWJLVZLNFG-LJQANCHMSA-N 416.614 3.751 0 1 HHAF CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc(F)cc2)s1 82164491 HJKNNGVIZZUSLG-UHFFFAOYSA-N 411.506 3.637 0 1 HHAF O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 95893775 BJFBOLLGEYDWCY-YTFSRNRJSA-N 422.500 3.722 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@H](O)C2 100043686 TVMYQBSAKPQDBA-XZDHIHRUSA-N 417.615 3.874 0 1 HHAF COC(=O)Cc1cc(OC)cc2oc(CCCCC[C@H](C)OC(C)=O)cc(=O)c12 103275353 LIDOJFNNQVPBFX-AWEZNQCLSA-N 404.459 3.572 0 1 HHAF Cc1ccc(-c2cc3c(NC4[C@H]5CC6C[C@@H]4CC(O)(C6)C5)c(C(N)=O)cnn3c2)cc1 146044156 PHYQXCCNHUZFGG-PQCKSWQPSA-N 416.525 3.760 0 1 HHAF CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(=N)N1 148377428 VBYHYTJHKFQNCE-CPJSRVTESA-N 418.541 3.878 0 1 HHAF in-vitro CC(C)Cn1c(-c2c(F)cccc2F)c(Br)nc(-n2cccn2)c1=O 148815289 WXAFQGDECNZIRL-UHFFFAOYSA-N 409.234 3.793 0 1 HHAF O=C(NCCCCCCNC(=O)N1Cc2ccc(Cl)cc2C1)c1cccnc1 166563014 RXVDMOXFHMBSPU-UHFFFAOYSA-N 400.910 3.751 0 1 HHAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cc(F)ccc4-c4ccccn4)C[C@H]3C2)n1 167185888 NOMWUAFCXVJJCA-ROUUACIJSA-N 417.488 3.503 0 1 HHAF CC(C)COC(=O)NC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O 169687385 WBRHGMNHQLDXNU-VLIAUNLRSA-N 404.850 3.761 0 1 HHAF O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]1SCc1cccc(C(F)(F)F)c1 169693701 MSGLHUFUUVASIA-SFHVURJKSA-N 423.412 3.647 0 1 HHAF CC(C)n1cnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 169707959 ZUHOFMSCRKDJGE-UHFFFAOYSA-N 417.473 3.668 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc(F)ccc2c1N1CCOCC1 201535835 MWOJTYVAPHAVAS-UHFFFAOYSA-N 406.866 3.697 0 1 HHAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 299885058 UWZVKHFRBSNFTG-SFLYRZDNSA-N 416.477 3.637 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2c1 587244586 PTZJFMYDVADKKD-FPLPWBNLSA-N 400.232 3.764 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc3[nH]c(=N)[nH]c3c1)O2 587386476 ZDDOGPANEOTICO-QHCPKHFHSA-N 402.429 3.914 0 1 HHAF C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O 587595895 POOAPSGAQQVRAS-MCVWCKRISA-N 406.390 3.947 0 1 HHAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cc1OC 587650338 SHDVMKXXFJUGFR-UHFFFAOYSA-N 409.410 3.703 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)C(F)(F)F)CC2)N1 587709392 MCFKYWWPJDPMNK-SECBINFHSA-N 409.221 3.502 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 587773015 HESPVOVPWPSSFD-GIPWTMENSA-N 412.262 3.613 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587854468 BXQYPNRHPGGNQM-BPEVVMRNSA-N 423.307 3.663 0 1 HHAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)C[C@@H]1C 653745699 MTIZOXXUAPPZTG-KRWDZBQOSA-N 400.486 3.539 0 1 HHAF O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 653883073 IHRLUSNTXLBQGV-UHFFFAOYSA-N 401.419 3.526 0 1 HHAF COC(=O)N(C[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)c1ccccc1 962666115 MFWQPXSZAMXAKZ-GBXCKJPGSA-N 419.481 3.648 0 1 HHAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2sc(O)nc2Cl)N1 963202400 ZFIXOODXAJANJB-RKDXNWHRSA-N 413.204 3.863 0 1 HHAF Cc1ccc2c(c1)[C@@H]1CC(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)C1=C(N)O2 1857639448 WMCZQHOFJQDOBA-HNNXBMFYSA-N 417.292 3.950 0 1 HHAF Cc1ccc2nc(C)c(C(=O)NCCCOc3ccc(Br)cc3)n2c1 1857752373 FBBSGTASYFUYKU-UHFFFAOYSA-N 402.292 3.913 0 1 HHAF C[C@]12CC[C@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@@]3(CCC(=O)O3)[C@H]12 2356306111 DNRQDQGLQOWBRA-NDKJSGKHSA-N 401.547 3.584 0 1 HHAF CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(C3CC3)nn2)on1 199229516 ULGREZUOLBTCPZ-OAHLLOKOSA-N 406.490 3.693 0 3 HHAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](CO)Cc1ccccc1 775789 DOIBAQNQSIRRPR-QGZVFWFLSA-N 408.498 3.981 0 1 HHAF COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1OC 1651373 BXHKUCPDUFBRTJ-UHFFFAOYSA-N 407.348 3.976 0 1 HHAF COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl 13761821 STNFHIJXLGRFLA-UHFFFAOYSA-N 413.833 3.786 0 1 HHAF Cc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1 29054901 HKTCLYICRKOUDN-UHFFFAOYSA-N 410.426 3.855 0 1 HHAF CN(Cc1nc2c(CNCCc3cnc[nH]3)cccc2[nH]1)[C@H]1CCCc2cccnc21 38268645 FWOUHVFETOOCEE-NRFANRHFSA-N 415.545 3.523 0 1 HHAF COc1ccccc1N1CCN(CCCCN2CCCc3ccccc3C2=O)CC1 40403185 USGFBEWNXKQBDG-UHFFFAOYSA-N 407.558 3.686 0 1 HHAF Cc1nc(N(C)C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21 40861620 STZCQJALUQZDHH-UHFFFAOYSA-N 403.515 3.854 0 1 HHAF COc1ccccc1CNC(=O)CNC(=O)c1cc(-c2ccco2)nc2ccccc12 66112385 LMIWGFSQWCKOME-UHFFFAOYSA-N 415.449 3.550 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95873220 LSOIOBVNZPBSCS-SGNDLWITSA-N 408.517 3.654 0 1 HHAF CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(C)cc23)[C@H]1c1cccc(Cl)c1 103202810 PMVBDSNLWDYHFK-MRXNPFEDSA-N 410.857 3.748 0 1 HHAF CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccncc2)c1 169690268 BULLYBBNUCPTFB-RTWAWAEBSA-N 418.449 3.533 0 1 HHAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1 212117208 YKTZNXFBRBJCAQ-UHFFFAOYSA-N 412.490 3.707 0 1 HHAF C[C@H]1Cn2c(nnc2-c2ccon2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219188008 NDSLFZDEYWBWKR-VIFPVBQESA-N 411.771 3.650 0 1 HHAF N=C(N)c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587170264 MLMBQWXUDRKDKH-UHFFFAOYSA-N 415.475 3.515 0 1 HHAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)N(C)C(=O)OCc1ccccc1 587198950 RTRSJECLCJOFAW-FQEVSTJZSA-N 408.458 3.860 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)O2 587382765 RZIGFSURRJXSNP-KRWDZBQOSA-N 408.376 3.823 0 1 HHAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587454532 YDKFUPYGMCHXNM-HJPURHCSSA-N 404.491 3.914 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C(=O)OCC 587477440 RFDIOGNYVVCEAR-NBGIEHNGSA-N 423.509 3.744 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1N1CCOCC1 587595136 OVBKFVMURPNFGP-URXFXBBRSA-N 403.434 3.932 0 1 HHAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587750121 GSBCKGXSGODFNE-NSPYISDASA-N 409.299 3.901 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811915 XWCVMQDPRAJWEH-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF COC[C@]1(CCCCC2OCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587835692 XREOTPKBURXSLP-YJYMSZOUSA-N 416.331 3.897 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2c(=O)n1CCCOC 587873038 UFVUYLKFMRJOCC-UHFFFAOYSA-N 422.460 3.824 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(CCOc4c(F)ccc(F)c43)N12 962647925 VHFMPEKTADQCRW-DHIUTWEWSA-N 410.420 3.638 0 1 HHAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)CC(=O)N1CCC(C(=O)OCC)CC1 963226793 HRCNRMDIULHQSX-UUOWRZLLSA-N 400.563 3.750 0 1 HHAF Cc1c(O)ccc2c1[C@@]([C@@H](C)OCc1ccccc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963547946 CJVUKLVUGREKKF-PSGMQZRDSA-N 409.404 3.662 0 1 HHAF Cn1cc(-c2ccc3nc(NC(=O)c4cscn4)cn3n2)c(-c2ccc(F)cc2)n1 1772599600 QPRKYRHUDHOCSE-UHFFFAOYSA-N 419.445 3.645 0 1 HHAF Cn1cc(NC(=O)c2cn(Cc3ccc(F)c(Cl)c3)c(=O)c3ccccc23)cn1 1857557390 CNPYGYPOBKCORF-UHFFFAOYSA-N 410.836 3.828 0 1 HHAF C/C=C(\C)C(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 1857583890 LDODJJQSCZNAEG-QHWPOYIXSA-N 418.574 3.811 0 1 HHAF CCN(CC)c1ccnc(Nc2ccc(OCCCN3CCSCC3)cc2)n1 1857621489 JDPIIFAYZUOYIP-UHFFFAOYSA-N 401.580 3.884 0 1 HHAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(Br)ccn1 1911582492 CPQPLJPWRQGPBK-OAHLLOKOSA-N 415.266 3.976 0 1 HHAF Cc1ccc2nc(C[C@H]3CN(C(=O)NC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302690 OYUCNLVTQIPSRD-SJORKVTESA-N 412.534 3.869 0 1 HHAF COc1ccc(C(=O)N(C)[C@H](C)c2ccon2)cc1OC1CCN(C(C)C)CC1 12054698 KWVYQQIERBCGBT-MRXNPFEDSA-N 401.507 3.768 0 3 HHAF CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO 13657327 HUZPSPDFNXNSDH-JKSBSHDWSA-N 401.528 3.929 0 3 HHAF Cc1ccc(F)cc1C(=O)N1CCOC[C@@H]1c1cc(C(=O)Nc2ccccc2)no1 61927405 SKJRSDZOZVPKHX-LJQANCHMSA-N 409.417 3.588 0 3 HHAF COc1cc(-n2cnc3cc(C(=O)NCc4ccco4)ccc32)cc(OC)c1OC 2926274 FHWHFVJGLWJQPW-UHFFFAOYSA-N 407.426 3.574 0 1 HHAF CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1cc(Cl)ccc1N 3654316 JPMBQECINMAVLX-UHFFFAOYSA-N 413.282 3.944 0 1 HHAF CCC[C@H]1CC[C@H](c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2c1n[nH]c2=O 26575932 LLPHQLCFKBSZES-QFBILLFUSA-N 401.474 3.685 0 1 HHAF CC(C)C[C@H](NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1NC(C)C)C(=O)O 28769811 DMEGSOYYABSRKY-FQEVSTJZSA-N 419.566 3.995 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN[C@@H]4CC(=O)O)no2)cc1C#N 43206634 CVQSVTFJKLGTJR-LJQANCHMSA-N 418.453 3.724 0 1 HHAF CCc1cccc(CC)c1NC(=O)CN1CCCN(Cc2nc3ccccc3[nH]2)CC1 49113315 FKUHCMPBFGRCOA-UHFFFAOYSA-N 419.573 3.834 0 1 HHAF CN(c1cc2ncc(=O)[nH]c2cc1NC(=N)NCc1ccccc1)C1CCCCC1 72106671 OPCWPJNMSORRFL-UHFFFAOYSA-N 404.518 3.828 0 1 HHAF CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C(C)C)N2 82206360 SRBUWRWCHJDLTM-HXUWFJFHSA-N 406.530 3.730 0 1 HHAF CN1CC[C@]23Cc4nc5cccc(Cl)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95559625 DORYKSQSCFBVIL-WXFUMESZSA-N 406.913 3.622 0 1 HHAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO 95877834 QWYSCWGFSRJNCO-NZJKTDFXSA-N 413.521 3.692 0 1 HHAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F 100086376 ZAVWNBVMLRTWHV-FICVDOATSA-N 420.273 3.581 0 1 HHAF CC(C)c1cc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)nn1C1CN(C2COC2)C1 146514822 XZIUMPCUGTYOIM-UHFFFAOYSA-N 405.424 3.824 0 1 HHAF CC(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(I)cc1 169368450 FCQURNVPSIDFJC-FQJBCPSXSA-N 423.294 3.720 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(C)(F)F)cn3)C2)cc1 169709322 XWHSXBDVQMAMNT-MGPUTAFESA-N 419.472 3.970 0 1 HHAF Nc1ccnc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 587008235 REBGEYPCAJYVQO-UHFFFAOYSA-N 412.247 3.739 0 1 HHAF O=C(O)c1cc(F)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587019315 XDXCDJCGOQGTTB-UHFFFAOYSA-N 411.414 3.886 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239532 LBQBGNXMSNMDBS-WIRVKHDMSA-N 415.534 3.653 0 1 HHAF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(Cl)cc3=O)[C@H]1c1ccc(F)cc1 587326040 ABZFMYORRAQSOG-SIKLNZKXSA-N 424.815 3.870 0 1 HHAF C[C@@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337075 OGUYUGHISMXUQJ-REWPJTCUSA-N 407.397 3.610 0 1 HHAF C[C@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338436 ODGRNCRNRSAHLH-NFBKMPQASA-N 407.397 3.985 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccncc1)CC2 587583304 RNKIGCHSXVWHKU-NRFANRHFSA-N 402.450 3.784 0 1 HHAF CCOC(=O)[C@@H]1CCSCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619181 RDYSAGPDVLTZCK-REDKUUPNSA-N 414.479 3.799 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3ccccn3c2=O)N1 587703193 FYRCRYKZPZRFBZ-FVMDXXJSSA-N 422.685 3.873 0 1 HHAF C[C@H]1CN(c2cccc(C(=N)N)c2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653737687 YRDJOOUTTZXUCV-GOSISDBHSA-N 405.546 3.513 0 1 HHAF CCOC(=O)CC[C@]1(C(C)C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962697842 MJTLDHPDDZPUNI-CRAIPNDOSA-N 405.388 3.638 0 1 HHAF O=C1c2ccccc2C(=O)N1n1cccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963119052 YWICBLIPFSYARV-VGOFRKELSA-N 401.441 3.669 0 1 HHAF CCOC(=O)C1=C(OCC)C(=O)O[C@H]1c1c(Cl)c2cc(C)c(C)cc2oc1=O 1911571578 WNUINKOYJVUQQN-INIZCTEOSA-N 406.818 3.515 0 1 HHAF Cc1ccc2nc(C[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302765 XXALLUMWOZTYSX-NVXWUHKLSA-N 409.461 3.806 0 1 HHAF COc1cccc2nc(C[C@@H]3CN(C(=O)Nc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c12 2356305952 VPFCQVYYVIRSFC-HZPDHXFCSA-N 422.485 3.759 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)O[C@]34CC(=O)O[C@]3(C[C@@H]2C[C@H]1O)C(C)=CC(=O)O4 2356596862 QXBTVKIEYQTEJB-VWMIWKDOSA-N 416.514 3.740 0 1 HHAF CCc1nc2c(OCCn3cccc3)cccn2c1N(C=O)Cc1ccc(OC)cc1 61904131 JPWDUKQJMXWXCA-UHFFFAOYSA-N 418.497 3.949 0 3 HHAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 61907714 GGTQSELZCCQNOF-JOCHJYFZSA-N 416.481 3.715 0 3 HHAF OC[C@@H]1CCCN(c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)C1 12079135 ZBXGMERINTVPAX-OAHLLOKOSA-N 411.527 3.524 0 1 HHAF C[C@H]1Oc2c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)cccc2N(C)C1=O 13674857 YEOWMZRSKXXMFL-GOSISDBHSA-N 418.541 3.666 0 1 HHAF COc1ccc(CNc2nc(N3CCCC[C@H]3CCO)nc3c2ncn3C(C)C)cc1 26470101 CMVUHWGCOHKPBG-SFHVURJKSA-N 424.549 3.769 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 45353109 SAGXMOCELWITKF-UHFFFAOYSA-N 406.417 3.601 0 1 HHAF O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNC1CC1 68245830 PGQSHZSSOJRXEF-CVEARBPZSA-N 423.435 3.646 0 1 HHAF O=C(c1ccco1)N1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 72185772 WOMWTCRRJAVSNC-UHFFFAOYSA-N 421.375 3.791 0 1 HHAF OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95875543 ZLAMFFFFACPEQP-KKUQBAQOSA-N 414.553 3.568 0 1 HHAF CC(=O)OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(I)cc1)CN32 100912865 FCQURNVPSIDFJC-SCZOYDIKSA-N 423.294 3.720 0 1 HHAF C[C@@]1(c2cccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)c2)COCC(N)=N1 113658689 SDYYCLKSRHASQS-KRWDZBQOSA-N 412.799 3.609 0 1 HHAF CN(c1ncc(Cl)cn1)[C@@H]1CCc2c(c3cc(Cl)ccc3n2CC(=O)O)C1 118876409 WZERTKXFBFKNHH-CYBMUJFWSA-N 405.285 3.816 0 1 HHAF O=C(NCc1c(Cl)cc(Cl)cc1Br)[C@H]1COc2ncccc21 205625750 CPNMRHDPBLHWCX-NSHDSACASA-N 402.075 3.943 0 1 HHAF CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(n5cnnc5)CC4)c3)c2c1 225670658 JISLCSZPVIZUET-UHFFFAOYSA-N 403.490 3.845 0 1 HHAF C[C@H](Sc1ncccn1)c1nc2c(I)cnc(Cl)c2[nH]1 586961760 LQBRRIWLSOCUJS-LURJTMIESA-N 417.663 3.859 0 1 HHAF C[C@@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587124290 MODCFFDMBUWFLQ-PSLIRLAXSA-N 416.400 3.740 0 1 HHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587226292 YECPXLYCXNITSB-SNVBAGLBSA-N 414.334 3.696 0 1 HHAF Cc1ccc(CCc2nc3c(I)cnc(Cl)c3[nH]2)cc1N 587250172 JKZMFOFCGHYJKK-UHFFFAOYSA-N 412.662 3.892 0 1 HHAF CCOC(=O)[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587375120 RAZJDLZGMZPTMV-YRISNDGFSA-N 402.443 3.555 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587449597 PXRWAGMZIZKVSH-FDDCHVKYSA-N 423.490 3.705 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(F)cc1)CC2=O 587465808 GVBLCWJHOBPGLY-HSZRJFAPSA-N 414.429 3.867 0 1 HHAF CN(C)CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567886 AMAMYGZKAPJSMO-XUZZJYLKSA-N 405.450 3.907 0 1 HHAF COC(=O)c1coc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618292 UCLQUJRXPZVBTF-CVDCTZTESA-N 406.390 3.965 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2N)N1 587682403 LTHNJFXDZMDDLW-NXSYQRQQSA-N 415.104 3.952 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587795080 NGKBWAJKFDMDRK-OVWNDWIMSA-N 405.267 3.717 0 1 HHAF COc1ccc(/C=C/Cc2nc3cc(I)cnc3[nH]2)c(OC)c1 587928671 GXOUHHYFTPSDCG-ONEGZZNKSA-N 421.238 3.836 0 1 HHAF COc1ccccc1[C@]1(CNC(C)C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962717854 VUWWLJCVMFASDE-GHTZIAJQSA-N 406.448 3.583 0 1 HHAF C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@@H]1C[C@@H](O)C(C)(C)O1 1772588230 YKAVTBPLBCQDSH-VNFFVMOQSA-N 409.526 3.913 0 1 HHAF CNc1cc(C2(C(=O)Nc3cc(C(=O)Nc4ccc(F)cc4)ccc3C)CC2)ncn1 1772588256 ZZHDOUJQZLPUAM-UHFFFAOYSA-N 419.460 3.888 0 1 HHAF Oc1cccc(N=c2[nH]c(=NCc3ccc(-c4ccccc4)cc3)[nH]c3[nH]cnc23)c1 1857568222 AFSMATXVFRYMQB-UHFFFAOYSA-N 408.465 3.925 0 1 HHAF COC(=O)c1cc(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2[nH]1 1857644816 RNTBQBQJIFTHMZ-UHFFFAOYSA-N 405.332 3.978 0 1 HHAF COc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccccc4F)CC3)n2)cc1 1857751221 LBJFTHQKFHUVLT-UHFFFAOYSA-N 421.476 3.767 0 1 HHAF COC(=O)c1ccc(Nc2cc3nc(-c4ccc(C(F)(F)F)nc4)[nH]c3cn2)nc1 1857762777 VQJVPABPYPKBAL-UHFFFAOYSA-N 414.347 3.964 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2)[C@@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356754645 IKFYJZJOCLACAH-ARNLJNQMSA-N 419.500 3.717 0 1 HHAF CN(C)S(=O)(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 592661 ZRFMIHVYBRGUSW-UHFFFAOYSA-N 417.962 3.538 0 1 HHAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)sc2n1 753835 LFDIHGUJUJLZQP-XJKCOSOUSA-N 402.564 3.699 0 1 HHAF Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C)C(=O)O)c(C)c3cc2c1-c1ccccc1 6075897 NFGFAZWYUHTRMP-CYBMUJFWSA-N 419.433 3.955 0 1 HHAF biogenic CCN(C(=O)C1=CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)c1cccc(Cl)c1 13493914 BNBLNZMGTSOULS-LJQANCHMSA-N 424.932 3.630 0 1 HHAF Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3ccc(Cl)cc3O2)CC1 27881641 QQFDKODFBMDMPZ-KRWDZBQOSA-N 413.905 3.768 0 1 HHAF Cc1c(Cc2c(F)cccc2F)nc(SCc2ccc3c(c2)OCO3)[nH]c1=O 28862851 PIXMOCGMWAHSJX-UHFFFAOYSA-N 402.422 3.968 0 1 HHAF COc1cc2ccc3c(c2cc1OC)N(C)[C@H](O)c1c(OC)c(OC)cc(OC)c1-3 34750613 SOOWIEWHLHSPPN-HSZRJFAPSA-N 411.454 3.991 0 1 HHAF biogenic CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2cccc(/C=C/CCF)c2)C1=O 35261527 LMLIBMAHTWKELB-XGLIRFAXSA-N 403.404 3.901 0 1 HHAF NCc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)cc1 38253185 FLTKFEJTGGQGEY-UHFFFAOYSA-N 400.284 3.786 0 1 HHAF CC(C)CNC(=O)c1cnc(NCCCN2CCCC[C@@H]2C)nc1NCC(C)C 45301685 QLHBYVOECJKBMB-SFHVURJKSA-N 404.603 3.607 0 1 HHAF O=C(O)c1cc(CN2CCc3cc(-c4ccncc4)ccc3C2)c2ccccn2c1=O 66066455 FPBQTWOQHOEVSB-UHFFFAOYSA-N 411.461 3.618 0 1 HHAF CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1 72126130 LIZZVTJRJSVNQU-FQEVSTJZSA-N 419.591 3.838 0 1 HHAF COc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCNC(C)=O)cc1 82222770 JBRCHEWHOQPMGU-UHFFFAOYSA-N 422.533 3.773 0 1 HHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(OC)c(Br)c1 103544385 JVEOXNPLXQECQY-WECAROLCSA-N 410.264 3.879 0 1 HHAF CCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1 143725759 VNKQIXCGXNDPOU-LJQANCHMSA-N 403.486 3.502 0 1 HHAF COc1cc(-c2cn([C@H]3CCc4ccccc4NC3=O)nn2)ccc1-n1cnc(C)c1 145975354 JEZPTRWWXISMOA-NRFANRHFSA-N 414.469 3.574 0 1 HHAF CCCCCc1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 169322229 DLDWUZPKAAMVLI-FQEVSTJZSA-N 419.481 3.564 0 1 HHAF N[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]2C1 169344302 XBHGTEQGRIWAQJ-BLWXERESSA-N 413.873 3.807 0 1 HHAF CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1ccccc1F 207729761 QECCKRSHQZPSAP-UHFFFAOYSA-N 404.623 3.784 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCOCC2)cc1O 261084066 CFJXGGYAQVCEEE-UHFFFAOYSA-N 424.419 3.764 0 1 HHAF COc1cccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 299830909 YTTFWNQKODXQJC-DEOSSOPVSA-N 420.415 3.786 0 1 HHAF CC1=C(c2ccc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c3c2)NNC(=O)C1 586877872 UDQOQFWFXXGECM-UHFFFAOYSA-N 400.482 3.748 0 1 HHAF COC(=O)c1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cn1 587032884 VIZAPNMPUDBHHF-UHFFFAOYSA-N 403.261 3.971 0 1 HHAF O=C(/C=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587167828 XQNYLBJYWWKLOL-FPLPWBNLSA-N 413.352 3.647 0 1 HHAF CCNC(=O)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587231420 WWLQKKQWYHNTEJ-UHFFFAOYSA-N 402.292 3.973 0 1 HHAF C[C@@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336401 NIWLVNCUZQEOSZ-VWNXMTODSA-N 421.424 3.670 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587442064 JSYVSDMUUVDXEA-HJPURHCSSA-N 412.438 3.610 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587708886 FRVKNAAWCCHPTL-GLEZIHRCSA-N 404.205 3.736 0 1 HHAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 587788892 AJAKTSSUTGEPAD-APBUJDDRSA-N 424.266 3.684 0 1 HHAF COC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587788930 AJRJNBFIYVYABI-JEOXALJRSA-N 408.267 3.764 0 1 HHAF CN1CCc2cnn(C)c2[C@]1(c1ccc(C2OCCO2)cc1)c1ccccc1Cl 963956565 YNQVMTCQMAJSAD-QHCPKHFHSA-N 409.917 3.899 0 1 HHAF C=CC(=O)Nc1ccccc1[C@@H]1CCNc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21 1772585664 IMCJMNVMHGKSFH-KRWDZBQOSA-N 421.888 3.832 0 1 HHAF CCc1nn(Cc2ccc(-c3nc4cnccc4[nH]3)cc2F)c(CC)c1CC(=O)O 1772645690 CDTNWXLOZGBPGA-UHFFFAOYSA-N 407.449 3.761 0 1 HHAF O=c1c2cn(C3COC3)nc2nc(SCc2cccc(F)c2)n1-c1ccccc1 1857639114 IBYYWHNJSYBLSJ-UHFFFAOYSA-N 408.458 3.585 0 1 HHAF CCCN1CCN(CCCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1 20355766 QBDBMPVHPPLYEB-UHFFFAOYSA-N 413.587 3.763 0 3 HHAF aggregator COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccn4)CC3)c2cc1OC 33293658 GPLGXZOMVXBMDO-UHFFFAOYSA-N 405.502 3.636 0 3 HHAF CCOc1ccc([C@@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 36387285 CKEPQPIYXHXWEK-FQEVSTJZSA-N 401.484 3.540 0 3 HHAF CCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N(CC)CC)=C1C 61921498 IHGCTLKJIZOKDO-GOSISDBHSA-N 405.583 3.616 0 3 HHAF CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N21 1656458 VBTVHUMUVXSSRB-FKBYEOEOSA-N 412.493 3.595 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOCCO 4213612 CUQSYUBATGNLIW-RTBURBONSA-N 414.905 3.618 0 1 HHAF COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 5070815 OUAAJQWKNMZJEP-QFIPXVFZSA-N 424.541 3.684 0 1 HHAF COc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c(OC)c1 15779138 GJUYNVDWZZODBH-UHFFFAOYSA-N 420.469 3.524 0 1 HHAF CC[C@H](C)N1CC(=O)N2[C@@H](c3cccc(C)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15953844 DFFCUBDTTVOEMO-FBOFTVOISA-N 401.510 3.960 0 1 HHAF biogenic CCN(C)CCN1C(=O)[C@@H](O)[C@@H](c2ccc(OC)cc2)Sc2cc(Cl)ccc21 27741044 ISCCGEOIRNWELU-VQTJNVASSA-N 420.962 3.841 0 1 HHAF O=C(O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 28563599 KVDHNRIOLVWQKH-JOCHJYFZSA-N 420.490 3.809 0 1 HHAF C[C@@H](n1ncc2cc(Cl)ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951807 RKFRZZDSPBQCMU-CWTRNNRKSA-N 403.820 3.708 0 1 HHAF COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 33989038 DBMUFNHYHPYPAN-FGCACJFISA-N 420.571 3.876 0 1 HHAF CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(CC)n1 82071605 BURXAXGXJXOIPB-MRXNPFEDSA-N 405.589 3.654 0 1 HHAF CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)s1 82219698 SHAWAIYAPVBNRF-CQSZACIVSA-N 411.506 3.670 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CCCCC2)[C@H]1c1[nH]cnc1Cl 103173083 CXCTTYCPQXWPFD-KRWDZBQOSA-N 421.925 3.985 0 1 HHAF CCCCNc1ncc(C(=O)Nc2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 103239215 OPZZIKZUGSMEPY-IYBDPMFKSA-N 413.522 3.665 0 1 HHAF C[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CC[C@@]2(CC[C@H](O)C2)OC1=O 142701722 GCLKTSMYGMLECP-GSMBIVSISA-N 423.513 3.637 0 1 HHAF O=C(NCCCN1CCCCC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166687968 LHTBRTYWKDLSDA-UHFFFAOYSA-N 406.530 3.840 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2Cc2ccccc2)c1 169707036 FJDCCTNXYTTWLE-HXUWFJFHSA-N 402.498 3.626 0 1 HHAF CCOc1ccccc1N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1 299861953 IXBNJEOOOLYFIU-UHFFFAOYSA-N 420.557 3.788 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586973965 SNLUHMFARGLJIZ-JOCHJYFZSA-N 424.570 3.506 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587154746 GJXGCOBWXPDKFF-BLVKFPJESA-N 418.266 3.983 0 1 HHAF CC[C@H](c1nc2cc(OC)c(F)cc2[nH]1)n1cc(I)c(C)n1 587186106 REJVFSFXTXDKGS-CYBMUJFWSA-N 414.222 3.820 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(Cc3ccc(OC)cc3)nn1)CC2=O 587479530 UGPDDXUGSBAJTM-QHCPKHFHSA-N 407.470 3.874 0 1 HHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCC(=O)O 587520578 FQWPKBJJHXNKCF-GOSISDBHSA-N 412.438 3.753 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592425 HCGOWCSXVJYGHD-CVDCTZTESA-N 403.390 3.600 0 1 HHAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587606061 GHRKZJSUFYVNRM-QFBILLFUSA-N 402.449 3.560 0 1 HHAF C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606589 IFINSRODZNUNGV-SIKLNZKXSA-N 410.447 3.673 0 1 HHAF O=C(c1ccn(C(F)F)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655485 JYDUPFPRXOVXME-UHFFFAOYSA-N 402.307 3.622 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 587747350 PYCDGFPHTPVKQQ-WLRWDXFRSA-N 407.283 3.813 0 1 HHAF O=C1c2cc(NC(=O)C(F)(F)F)ccc2-c2ccc(NC(=O)C(F)(F)F)cc21 653782633 ZYXDOZRAVRNURL-UHFFFAOYSA-N 402.250 3.900 0 1 HHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2sc(O)nc2Cl)N1 963202399 ZFIXOODXAJANJB-IUCAKERBSA-N 413.204 3.863 0 1 HHAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(F)cn3)c2)CC1 1772592133 BQVINWDFLPALKA-UHFFFAOYSA-N 412.509 3.600 0 1 HHAF COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12 1772613097 LMJOEHZZPARHDF-WVMBUTMQSA-N 424.472 3.723 0 1 HHAF COc1ccc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 1857763872 FEUALTSGLCXGEJ-UHFFFAOYSA-N 414.405 3.735 0 1 HHAF CN(C(=O)CCN1Cc2cc(C(=O)c3ccccc3)ccc2N=C1N)C1CCCCC1 10339589 KTRFBFMYAJOXLG-UHFFFAOYSA-N 418.541 3.861 0 1 HHAF in-vivo CC(=O)N(C)c1ccc(S(=O)(=O)c2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 13743608 NFGFRJLQIHIIHM-LJQANCHMSA-N 409.529 3.562 0 1 HHAF CC1(C)SCN(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 13759352 QSNJCJGBMAHIQV-UHFFFAOYSA-N 415.525 3.919 0 1 HHAF CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 20508503 LJARMFOYLFEMAY-FGZHOGPDSA-N 423.582 3.745 0 1 HHAF CCN(CC)CCN1C(=O)[C@@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21 26167204 XWKYFHABGKDOPE-HXUWFJFHSA-N 420.340 3.838 0 1 HHAF O=C(Nc1nc2ccc(F)cc2s1)N1CCN(c2nncc3ccccc23)CC1 28385608 NMKYLMOXRWSCMS-UHFFFAOYSA-N 408.462 3.733 0 1 HHAF CCN(CC)CCOC(=O)[C@](C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 29323254 JNWQHLUYBJFULU-XMMPIXPASA-N 412.530 3.938 0 1 HHAF CC(=O)Oc1ccc2cc(-n3cc(-c4cc5ccccc5[nH]4)nn3)c(=O)oc2c1C 53243567 ONPSZFQJEUWHAC-UHFFFAOYSA-N 400.394 3.756 0 1 HHAF COc1cc(C(=O)c2cc(-n3cncn3)ccc2-c2nccs2)cc(OC)c1OC 64564834 KEOUODNBDRUYGI-UHFFFAOYSA-N 422.466 3.648 0 1 HHAF CCNC(=O)Nc1nc2cc(-c3ccc(C)nc3)c(OC[C@H]3CCOC3)nc2s1 169340122 UAKSVFADNNVFPA-ZDUSSCGKSA-N 413.503 3.618 0 1 HHAF CC[C@H](NC(=O)[C@H]1CCCNC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220727537 RKCSTCUGWZPGBQ-YOEHRIQHSA-N 403.885 3.672 0 1 HHAF COc1cc2nc(CC/C(C)=C\Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2cn1 586914834 CIJHJBUOGHLGFF-XGICHPGQSA-N 423.469 3.781 0 1 HHAF COC(=O)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586936747 KAOVHERZAHUNFB-INIZCTEOSA-N 421.906 3.679 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515917 XKFUANHFONWBHC-UZUQRXQVSA-N 415.486 3.611 0 1 HHAF C[C@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597062 UIPSYFVNXYCGLT-WIOPSUGQSA-N 416.477 3.679 0 1 HHAF Cc1c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C 587706999 RWQXEOJQIQRGSH-VXJOIVPMSA-N 406.221 3.970 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 587746602 HMSIQCLEZZNKQM-JPYRYYCLSA-N 407.327 3.629 0 1 HHAF Cc1nn(C(C)C)c(C)c1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962627200 FEUVELGDFGGGEJ-LIRRHRJNSA-N 411.424 3.842 0 1 HHAF COc1ccc(Cn2cc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cn2)cc1 962775157 ZHGAVBCEVSBFRT-WOJBJXKFSA-N 415.415 3.675 0 1 HHAF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)c2cc(Br)ccc2CC1(C)C 963490490 KFSVHDUUSSLPIJ-KKSFZXQISA-N 416.315 3.888 0 1 HHAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccc(Cl)cc3)cc2/C1=C/c1ccc[nH]1 1772574895 DFXQVWSYKJOUNT-ZMUHTPIZSA-N 407.857 3.624 0 1 HHAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@@H]2CCCOC2)cc1F 1772634745 USTPUKPHUQZTTM-NSHDSACASA-N 419.931 3.965 0 1 HHAF O=S(=O)(/C=C/c1cccc(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1 1857609047 ZUVXDORXOBCUJX-CXUHLZMHSA-N 421.946 3.886 0 1 HHAF COc1cc2c(cc1OC)C1=Cc3c(OC)cc(OC)c(OC)c3CN1[C@H](OC)C2 2356832918 JXKGJWVICBGELZ-JOCHJYFZSA-N 413.470 3.572 0 1 HHAF O=C(Nc1ccc(F)c(Cl)c1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61902301 GXONCSYXXXJFKG-ARFHVFGLSA-N 422.865 3.524 0 3 HHAF Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)nn2C)c(S)cc1Cl 1645185 CKOZDUAEIIJIJT-UHFFFAOYSA-N 409.924 3.610 0 1 HHAF CC(C)(C)OC[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCCCC3)N2C1=O 5950527 PFBZJJBXQCDSHA-JAXLGGSGSA-N 423.557 3.856 0 1 HHAF COc1cccc([C@@H]2CCCN2C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)c1 12037575 BGPANTXWNAPIMV-IBGZPJMESA-N 410.499 3.569 0 1 HHAF CN1C(=O)[C@@H](NC(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 13601581 PAUVCXBRYIWFTM-OAQYLSRUSA-N 403.869 3.910 0 1 HHAF CC(C)[C@@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29242190 WIHSIFBKYROBEQ-CQSZACIVSA-N 411.405 3.945 0 1 HHAF Nc1scc(CN2CCN(c3cccnc3)CC2)c1C(=O)c1ccc(Cl)cc1 73221110 JKXQLDDFLKSYTM-UHFFFAOYSA-N 412.946 3.932 0 1 HHAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O 82185992 PDGQBEDYBNHBLG-UHFFFAOYSA-N 410.497 3.543 0 1 HHAF CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 101634777 KPYIQJZAKZINCU-DSJMHWKBSA-N 422.572 3.654 0 1 HHAF Clc1ccc2c(NCCCCN[C@@H](c3ccccc3)c3nnn[nH]3)ccnc2c1 103230551 CHNMFPHCNDESAZ-FQEVSTJZSA-N 407.909 3.973 0 1 HHAF Nc1ccc2c(c1)C(=O)[C@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 103231770 QKQVYZVGWKRGIE-INIZCTEOSA-N 410.489 3.844 0 1 HHAF CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)ccn1 169709651 AXLAGMLKCIGYQT-LAUBAEHRSA-N 412.534 3.859 0 1 HHAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(-c4nn[nH]n4)cc3)c2F)cn1 212175014 GEOLQBDPHICSAP-UHFFFAOYSA-N 417.448 3.892 0 1 HHAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586957892 FFTSFJAWBOLGAS-OAHLLOKOSA-N 419.812 3.704 0 1 HHAF CCCCCCOc1ccc(Br)cc1-c1nc2c(O)nc(N)nc2[nH]1 586982123 QWFUVWODGAYHKE-UHFFFAOYSA-N 406.284 4.029 0 1 HHAF COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Cl)c1OCC(C)C 587045849 GRVRYSZQOKUFPB-UHFFFAOYSA-N 409.895 3.574 0 1 HHAF CC1=C(c2ccc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 587112146 JCYKNQLBOQZKFC-HNNXBMFYSA-N 415.419 3.580 0 1 HHAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1 587169657 GDZTWLCWVJHPDC-KRWDZBQOSA-N 416.865 3.818 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1N1CCNCC1 587592049 HFJZJMNRDYOLNK-ZJSXRUAMSA-N 402.450 3.505 0 1 HHAF O=C1C[C@]2(C[C@@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597068 RWCKDHRLEFALDY-JBUDQFAYSA-N 401.418 3.744 0 1 HHAF CC(C)(C)OC(=O)[C@@]1(C2=COCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614028 BILDDBRCHHJBOH-MBSDFSHPSA-N 410.422 3.739 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2F)N1 587723695 BRUKBQPELKGXOU-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF COC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726085 UFMYONITGPAEDG-YYSFKGJASA-N 414.221 3.817 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587776805 DRJCJWFMJOWRCS-AYLIAGHASA-N 421.266 3.501 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 587829553 XXIGXNBQUBBVCD-SEKDPYQVSA-N 424.310 3.798 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCCS(=O)(=O)c3ccc(C)cc31)N(C)[C@@H](C)C2 962629417 HQOUEOMABWNPHY-HJPURHCSSA-N 415.555 3.700 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc3nc(O)[nH]c3c2)N1 963191439 IADSODTWDAKWDS-WFASDCNBSA-N 411.767 3.629 0 1 HHAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3cscn3)c2)c2cnccc21 1772573078 GTWQHWCYUIHXPI-UHFFFAOYSA-N 405.483 3.881 0 1 HHAF COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCCC4)cc3n2)cc1Cl 1857580414 QMBUTIZXAPGUEP-UHFFFAOYSA-N 415.925 3.643 0 1 HHAF CCNC(=O)c1ccc(-c2c(COC)nc3c(OCc4ccccc4)cccn23)cn1 1911574863 BZTPZBIHWGKZIZ-UHFFFAOYSA-N 416.481 3.871 0 1 HHAF CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356645067 DNXLCKCNCYSVJX-ZDXQCDESSA-N 400.563 3.966 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(C)=O)=CC[C@H]1[C@]2(C)CCC[C@@]1(C)CO 2356673328 HAGXKCYPEIDCHR-PMAMDCHESA-N 408.535 3.556 0 1 HHAF COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(Cc5ccco5)CC4)n3n2)c1 95569088 PCMYUPRQHKUXDL-UHFFFAOYSA-N 417.513 3.937 0 3 HHAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2s1 1482424 ZOSMLZOMKXVTCW-KRWDZBQOSA-N 413.524 3.706 0 1 HHAF C[C@H]([C@@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 2499496 RLXIZUWKIWYBAY-OPAMFIHVSA-N 400.482 3.880 0 1 HHAF CC1(C)OC[C@H](CO[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)O1 3599111 ZQDXWYQEGBMDCN-MGPUTAFESA-N 400.862 3.624 0 1 HHAF COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1C(=O)O 26669999 VEBRFOLDTGQFHJ-NRFANRHFSA-N 403.434 3.566 0 1 HHAF Cc1cc(N2CCN(C(=O)Nc3nc4ccc(F)cc4s3)[C@H](C)C2)nnc1Cl 28455253 BRPLIJUCKDGXNQ-LLVKDONJSA-N 420.901 3.930 0 1 HHAF COc1cc(O)cc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 28530212 KNAOFEGNTTUEPD-UHFFFAOYSA-N 419.397 3.846 0 1 HHAF COc1ccc([C@@H]2N(c3cc(OC)c(OC)c(OC)c3)C(=O)C2(C)C)cc1OC 66259197 QFUHLOFDEQYRLU-FQEVSTJZSA-N 401.459 3.844 0 1 HHAF COc1ccc(F)cc1-c1cccc(-c2nn(CCO[C@H]3CCCCO3)c(=O)o2)c1 98082222 RHJWXTAEDPJWJW-FQEVSTJZSA-N 414.433 3.861 0 1 HHAF c1cc2cc(CCc3cc4ccc(C5=NCCCN5)cc4[nH]3)[nH]c2cc1C1=NCCCN1 103251410 OYRFVDXPXXZINQ-UHFFFAOYSA-N 424.552 3.914 0 1 HHAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@H]5C[C@@H](C4)c4cccc(=O)n4C5)[C@H]3C=C12 103944448 XOMDYSJETNCOIU-NCKSZPIJSA-N 422.569 3.582 0 1 HHAF CC(C)[C@@H](NC(=O)c1cc(C(=O)N2CCCC2)c2n1CCOC2)c1ccc(F)cc1 146125621 QBDCBSCQTCMGCN-OAQYLSRUSA-N 413.493 3.521 0 1 HHAF O=C(O)CCNC(=O)c1nc(C(F)(F)F)c2cc(Oc3ccccc3)ccc2c1O 146688097 SOJUNNCQLHXEQY-UHFFFAOYSA-N 420.343 3.956 0 1 HHAF CC1(N(C[C@@](C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(C)(=O)=O)CC1 148386472 LARKWKCYZCJAOV-NRFANRHFSA-N 422.497 3.638 0 1 HHAF Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)cc2)c1 169349578 LMMYRXURCHDBOR-CMWLGVBASA-N 404.466 3.692 0 1 HHAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccccc2)cc1 169586065 AGPADCZTLLHBPM-GMAHTHKFSA-N 403.507 3.862 0 1 HHAF CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)[C@H](C)CCNC5=O)cnc21 218248732 LXFZTTYAMRZTIF-CQSZACIVSA-N 416.485 3.914 0 1 HHAF CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)n1cnc2c(N)ncnc21 238761488 LUSPFIWBBARJFS-INIZCTEOSA-N 411.506 3.836 0 1 HHAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]13)[C@@H]2CC(C)=O 238770879 BNWCAXPQWZXTPP-LEBCYIFESA-N 424.541 3.612 0 1 HHAF CN1CCN(CC(=O)OCc2cn(Cc3cccc(Cl)c3)c3ccccc23)CC1 299822341 PZPVAUNJQCAGOC-UHFFFAOYSA-N 411.933 3.634 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896546 TVFYCPBRVFGDMU-UHFFFAOYSA-N 401.532 3.912 0 1 HHAF Nc1nccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 587006897 DCGIEAQWHOIPTD-UHFFFAOYSA-N 412.247 3.739 0 1 HHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587166810 AEMSNYPVSSOPBF-NRFANRHFSA-N 423.492 3.903 0 1 HHAF CN1CCN(c2ccc3nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c3c2)CC1 587201199 JSXQVQJDHXKMQH-UHFFFAOYSA-N 415.582 3.896 0 1 HHAF CC(=O)N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(C)cc1 587217711 YLWFFRCVWMKVBE-INIZCTEOSA-N 419.266 3.896 0 1 HHAF C[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)n1ccc(C(F)(F)F)n1 587275943 HJZFNDJNPRDNNY-ZETCQYMHSA-N 418.169 3.742 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587374866 KCRNATVRUXUXCW-HXUWFJFHSA-N 422.264 3.877 0 1 HHAF CC(=O)N1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587513364 JIEHQVGQTRCRQV-XMMPIXPASA-N 404.510 3.940 0 1 HHAF CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541243 AABBCIUJNZDKAX-KBXCAEBGSA-N 411.237 3.850 0 1 HHAF CCO/C=C(\C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793354 DPTAASHYKHIGSY-POUMPYMKSA-N 400.288 3.821 0 1 HHAF COc1ccccc1C[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587807042 LKBAXDCNVLCJIX-WYRIXSBYSA-N 408.267 3.654 0 1 HHAF COc1cc(C(=O)N[C@@H](CNCc2cc(C)c(OC)cc2C)c2ccccc2)no1 653844008 WGNOJCVWTLUVQK-FQEVSTJZSA-N 409.486 3.570 0 1 HHAF O=C(O)COc1ccc([C@@]2(c3ccccc3Cl)NCCc3ccc(O)cc32)cc1 963331326 YVFKRNFXRLNDPN-QHCPKHFHSA-N 409.869 3.947 0 1 HHAF C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@@H]1C[C@H](O)C(C)(C)O1 1772588229 YKAVTBPLBCQDSH-NNVKRFGQSA-N 409.526 3.913 0 1 HHAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(F)c3)ncc12 1772647599 WMVWTUHMYZBDMM-MRVPVSSYSA-N 406.805 3.811 0 1 HHAF CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O 1857608980 MVLRPJXSLRLXSZ-UHFFFAOYSA-N 421.424 3.989 0 1 HHAF COc1cccc(CN2C[C@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)n1 2356300065 SSMTXUUABSIOLX-IRLDBZIGSA-N 415.493 3.659 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)OC3=CC(=O)O[C@]4(C)CC(=O)O[C@]34C[C@@H]2C[C@H]1O 2356728307 FWDUNYAYYMYOQL-DDTFRGHOSA-N 416.514 3.740 0 1 HHAF COc1cc(OC)cc(-n2nc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3c2=O)c1 4731111 IGJPYMPOZGPXNG-HZPDHXFCSA-N 421.497 3.521 0 3 HHAF Cn1c(O)c(C(=O)C[C@@H](Nc2cccc(N)c2)c2ccco2)c(=O)c2ccccc21 3846476 SJEIFFHTLDXJIT-QGZVFWFLSA-N 403.438 3.846 0 1 HHAF biogenic CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1NC(=O)[C@@H](c3ccccc3)[C@@H]1c1ccccc1)OC2=O 4321900 LNKFTZROFCFJOY-XDESJKQVSA-N 418.493 3.507 0 1 HHAF Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 13472331 ICNNXGJLOCFASJ-UHFFFAOYSA-N 408.809 3.568 0 1 HHAF COC(=O)c1ccc(Oc2ccc(OC)c(OC)c2)c(I)c1 28957246 JVZOFLSMGWWYGD-UHFFFAOYSA-N 414.195 3.887 0 1 HHAF COc1cccc(OC)c1OCCNC[C@H]1CO[C@H](c2ccc3ccccc3c2)O1 29251502 WNAWDSJLRZSVNW-RDPSFJRHSA-N 409.482 3.940 0 1 HHAF C[C@@H](c1ccncc1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 40898465 DITLQKIQKDAIBV-MSOLQXFVSA-N 401.576 3.835 0 1 HHAF CCO[C@H]1C[C@H](c2ccccc2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40914591 LLYAOCTXYWTOMZ-MJGOQNOKSA-N 414.893 3.849 0 1 HHAF CCCCN(Cc1cccc(F)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40918577 RZPJTSFCJURVJY-JOCHJYFZSA-N 418.463 3.886 0 1 HHAF CC(=O)[C@H]1[C@H](OCCOCCO)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40949969 CYLCUFVIVIYVOT-USDLKSOHSA-N 422.606 3.599 0 1 HHAF CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1F 58493906 QCJRQVJPUYADQP-UHFFFAOYSA-N 415.509 3.721 0 1 HHAF CC(C)c1cc(C(=O)n2cc3ccc(CN4CCN(C)CC4)cc3c2)c(O)cc1O 58655531 XTWVNACAJGGHSA-UHFFFAOYSA-N 407.514 3.612 0 1 HHAF in-vitro O=[N+]([O-])/C(=C\c1ccc(Br)o1)C1=NCCN1Cc1ccc(Cl)nc1 59085619 DEDLLHPCARUPQQ-GHXNOFRVSA-N 411.643 3.622 0 1 HHAF COc1cccc([C@H]2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)c1 70459612 XJXJCPZVOOFDPB-JOCHJYFZSA-N 407.495 3.698 0 1 HHAF O=C1Cc2cc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)ccc2N1 73296507 KJQNMSKDSUGJMY-UHFFFAOYSA-N 417.513 3.839 0 1 HHAF COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCC(C)C)c2cc1OC 82128239 PNLWEVGCKLPFKK-LJQANCHMSA-N 410.518 3.885 0 1 HHAF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1F)N1CCCC1 82151788 PPVICHIDHGOQSM-UHFFFAOYSA-N 420.444 3.860 0 1 HHAF Cc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2ccc(Br)c(F)c2)n1 84672445 VQEVFRZOHYKWBE-UHFFFAOYSA-N 403.255 3.697 0 1 HHAF Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cc1Cl 146457587 LEOWEIJSDSRDCI-UHFFFAOYSA-N 401.942 3.874 0 1 HHAF COCCN1CCC(c2cc(-c3cnc(N)c(C(F)(F)F)c3)nn2C(C)C)CC1 146508393 WJJIXVXJTAKVEG-UHFFFAOYSA-N 411.472 3.953 0 1 HHAF CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@H]1C(=O)OCC 299830988 ZPPSARSJZRFVTH-OAQYLSRUSA-N 422.481 3.511 0 1 HHAF COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)cc1 299884851 UOPHIWXSSCEKEE-LDYFCKCXSA-N 413.470 3.797 0 1 HHAF Cc1c(Br)cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1C 586937891 GRVONOVUWDMHDP-UHFFFAOYSA-N 411.325 3.624 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cncc(Br)c2[nH]1 586972989 LBGQCSCOIWYWPW-OAHLLOKOSA-N 405.321 3.831 0 1 HHAF COc1cc(Br)c([C@H](N)c2nc3cnc4ccccc4c3[nH]2)cc1OC 586976729 XJUIAUQVUIBIGL-KRWDZBQOSA-N 413.275 3.939 0 1 HHAF Cc1cc(Cl)cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 587121145 VBGHGNKOKTVTAR-UHFFFAOYSA-N 409.799 3.949 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)N1CCC(C)CC1)O2 587397308 ZPTZITFRDURENU-JOCHJYFZSA-N 408.498 3.921 0 1 HHAF C=CN1CCCC[C@H]([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587440505 AQMSDPHXAZCTLG-GLDPYIMESA-N 404.466 3.505 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCOCC3)nc3ccccn13)CC2=O 587486431 BTPSMSDBYFXEIT-LJQANCHMSA-N 407.470 3.536 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)cc1 587596109 QWBQQUCCOJSYMB-QPPBQGQZSA-N 402.450 3.505 0 1 HHAF C[C@@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596293 QPLNYKZJRAKSTC-OFNKIYASSA-N 406.390 3.733 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2N)N1 587679451 FIBAYKGEHDFCGQ-UOWDBTKRSA-N 415.104 3.952 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2C)N1 587681953 SOVRAOYNUCZYAO-CPFSXVBKSA-N 403.093 3.708 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 587709726 NTIAGUBZSYKRKN-GLEZIHRCSA-N 404.205 3.736 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCC(=O)O)c2)N1 587790039 DTWJUCPEAAVAGC-WLRWDXFRSA-N 408.267 3.849 0 1 HHAF CCOC(=O)[C@@H]1CSCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587856892 JKEDGXOQOLRUFX-MOCULFSLSA-N 402.329 3.634 0 1 HHAF COc1ccc2c(c1OC)[C@](CC1OCCO1)(c1ccc(F)cc1F)N(C)[C@@H](C)C2 962625460 FCHNOYOWQFUIOC-PSLXWICFSA-N 419.468 3.865 0 1 HHAF CC1(C)OC[C@H]([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)N1C(=O)O 962954671 JLKJNMLXEAYKLM-GDBMZVCRSA-N 414.424 3.513 0 1 HHAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc(-n3ccnn3)cc2)N1 963206785 YPVYLIKRANGASH-IRXDYDNUSA-N 422.794 3.628 0 1 HHAF COC(=O)[C@H]1CC(=O)C[C@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832142 LURDTEVQDBTCMJ-GKVSMKOHSA-N 418.493 3.630 0 1 HHAF COc1ccc(C(=O)C[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772640739 WIHBIYFTCKOHEL-NRFANRHFSA-N 405.516 3.727 0 1 HHAF COc1cccc(OC)c1-c1cccc([C@@]2(c3ccccc3)NC(=N)N(C)C2=O)c1 1857562827 NGKJCNMHSBQUQV-XMMPIXPASA-N 401.466 3.611 0 1 HHAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCNCC4)cc3F)sc2n1 1857579683 MQRFPMPAIXMXEG-UHFFFAOYSA-N 412.534 3.766 0 1 HHAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3O 2356648700 NHAOANQCNDNNRY-ZIGUVJDDSA-N 416.514 3.508 0 1 HHAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CCc1c[nH]c2ccccc12 199397306 IRSYAOXJQJUJFA-DEOSSOPVSA-N 419.481 3.501 0 3 HHAF CC(=O)n1c(=O)n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21 1640680 HACVSVYOLJDEJK-UHFFFAOYSA-N 423.488 3.902 0 1 HHAF COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 2489225 CGPAWAIBJUDSHO-FQEVSTJZSA-N 402.535 3.800 0 1 HHAF CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 3986524 QWHITGKBRLEYSC-UHFFFAOYSA-N 422.920 3.562 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F 4417365 MLOMWMKDNPPSGK-SRABHYRGSA-N 410.489 3.594 0 1 HHAF COc1cc(C)nc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12 13861606 WSYVFYAAUCDQPA-UHFFFAOYSA-N 411.458 3.923 0 1 HHAF COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCCO4)ncnc2c1 14949418 XKHSUSZUHQRZFF-UHFFFAOYSA-N 422.485 3.626 0 1 HHAF CCCn1c(=O)c2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29051788 DHVLOBMYJOBYJA-UHFFFAOYSA-N 411.469 3.503 0 1 HHAF Cn1ccc(=NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 29126283 LKTPLZFNGGBNFL-UHFFFAOYSA-N 403.869 3.992 0 1 HHAF Cc1ccc(/C=C/CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C 73220511 OQYCEXVXYNTZJY-SQRWCISFSA-N 404.507 3.747 0 1 HHAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(OC3CCN(C)CC3)c12 95564439 FIANSBOCDIOYRY-HNNXBMFYSA-N 417.517 3.856 0 1 HHAF COC(=O)c1cc(-c2ccc(CNC3CC(C)(C)N([O])C(C)(C)C3)o2)ccc1O 101084326 PJBYHFHQIFBLAA-UHFFFAOYSA-N 401.483 3.896 0 1 HHAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21 117698723 AKWFWIHZLMHBGJ-CQSZACIVSA-N 415.453 3.562 0 1 HHAF COCC1(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)CC1 206108769 PHEBMAJCJCVNAX-UHFFFAOYSA-N 403.442 3.623 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(O)c2[nH]1 586936985 OQGDHXNDHFFEST-HNNXBMFYSA-N 405.545 3.658 0 1 HHAF CCOC(=O)Cc1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 587064640 FEIXDZSYRSXJCV-UHFFFAOYSA-N 402.834 3.722 0 1 HHAF Cn1nnc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C(F)F 587129673 ZIVMTUMAHGCDOG-UHFFFAOYSA-N 412.116 3.957 0 1 HHAF COC(=O)c1ccnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 587183926 LMZRNPYZUCNGBE-UHFFFAOYSA-N 413.602 3.670 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nn2)N1 587760262 OMWYRARWDBJQRO-HXPMCKFVSA-N 401.283 3.852 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 587840329 KHDPRDAWWZLDFJ-BMLIUANNSA-N 413.312 3.583 0 1 HHAF CC[C@@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587954692 BCSKMRILWHROHC-GFCCVEGCSA-N 416.464 3.999 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc3c(c2)C2(CC3)OCCO2)N1)C(F)(F)F 962760479 FGMUVELTGQUUML-MOPGFXCFSA-N 403.400 3.568 0 1 HHAF CC(=O)N(c1ccccc1)c1nc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cs1 963030396 QTHWPZCLWVIMRP-NYHFZMIOSA-N 418.522 3.970 0 1 HHAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@@H]2CCCOC2)N1C(=O)c1ccccc1 963449796 STEPCMOIAZIEFG-QGCDCVKKSA-N 404.466 3.787 0 1 HHAF O=C(Nc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(-c2ccccc2)no1)c1ccccc1 1857560936 GFXPPUZZSXYKLX-UHFFFAOYSA-N 424.416 3.718 0 1 HHAF COc1ccc(OC)c(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 1857592626 OKEXMHVVTSDPOF-DEOSSOPVSA-N 401.466 3.611 0 1 HHAF COc1ccc(-c2c(C)oc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nc23)cc1OC 1911584735 MLSTXJPMSWRHSX-QGZVFWFLSA-N 409.486 3.844 0 1 HHAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@H](COc1ccc3c(c1)OC(=O)CC3)[C@]2(C)O 2356684086 LMBYKBUOKRNKSI-OOAHCGESSA-N 402.531 3.881 0 1 HHAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1sc(-n2cccc2)nc1C 2356763595 LGYOXWNKQJVQNI-RTBURBONSA-N 416.591 3.595 0 1 HHAF CCN(C(=O)Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 1356571 SSDASBFLOJLMTD-UHFFFAOYSA-N 419.528 3.888 0 3 HHAF COCC(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 4238041 CDBIFXIBDWEFQW-UHFFFAOYSA-N 424.385 3.795 0 1 HHAF COc1ccc(CN2c3ccccc3C(OCc3ccccc3)=NS2(=O)=O)cc1 6484291 ATDRLWSMGDGFJH-UHFFFAOYSA-N 408.479 3.924 0 1 HHAF O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 9731392 VDXOUEDSHOZFPE-NDEPHWFRSA-N 417.870 3.900 0 1 HHAF C[C@H]1CN(Cc2ccc3c(c2)CN(Cc2ccc4c(c2)CCO4)CCO3)C[C@@H](C)O1 11909708 DERRSVGOOYERJL-KDURUIRLSA-N 408.542 3.625 0 1 HHAF COc1cccc2c(C(=O)N[C@H]3CCCC3(C)C)c(C)n(CCN3CCOCC3)c12 13817329 DKQJDLYJNNOLMR-FQEVSTJZSA-N 413.562 3.599 0 1 HHAF Cc1ccc(NC(=O)NCCCN(C)C)cc1Nc1nccc(-c2cccnc2)n1 28394391 UEKNGMXEVLXGPW-UHFFFAOYSA-N 405.506 3.664 0 1 HHAF CCCCN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 64526768 KSGKTOITXHOGGI-UHFFFAOYSA-N 416.736 3.735 0 1 HHAF CC(C)OC(=O)N1CCC([C@@H](C)CNC(=O)Cc2c(F)ccc(F)c2F)CC1 66073963 YOVLZIDAFGCSGF-ZDUSSCGKSA-N 400.441 3.656 0 1 HHAF O=C1c2cc(N3CCOCC3)ccc2N[C@@H](Cc2ccccc2)N1c1ccc(O)cc1 72113605 QAJDRAQVLMFZJL-XMMPIXPASA-N 415.493 3.870 0 1 HHAF COc1ccc2c(c1)c(C(=O)C(=O)N1CCCC1)cn2C(=O)/C=C/c1ccccc1 95588792 MRQGKUXOKWWPDC-FMIVXFBMSA-N 402.450 3.809 0 1 HHAF C[C@H]1CC(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccc3c(c2)OCO3)NC1=O 95662999 NTDYEOQLFHPYHB-JFJGCWECSA-N 406.482 3.806 0 1 HHAF Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)cc1 100106960 KLNUDWNDWVYILD-BKFWDETESA-N 404.535 3.791 0 1 HHAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@@H](C)c2ccccc2)CN1C 103209560 GSLCCWKXRCGUBW-INIZCTEOSA-N 415.925 3.969 0 1 HHAF COc1cc(-c2cc3ncccc3c(NCc3ccc(=O)[nH]c3)n2)cc(OC)c1OC 114021029 TTXGFQVBNRYFBZ-UHFFFAOYSA-N 418.453 3.623 0 1 HHAF CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 116823550 KNADVTKHMNYCNZ-WOJBJXKFSA-N 416.525 3.854 0 1 HHAF Cc1cnc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)cn1 118399212 ONIGQJUEEKQPLR-LJQANCHMSA-N 417.448 3.561 0 1 HHAF COC(=O)c1ccc(NC(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)o1 147889472 ROSLQYZGIVTMEL-UHFFFAOYSA-N 401.382 3.738 0 1 HHAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(OCC3CC3)n2)n1 223515621 RCCDZDOZCFPILT-IRXDYDNUSA-N 415.501 3.621 0 1 HHAF CCN(CC)Cc1cc(OC)c(=O)c2cn3c(cc1-2)-c1cc2c(cc1CC3)OCO2 377848960 PXOFMJBGOMMRJL-UHFFFAOYSA-N 406.482 3.755 0 1 HHAF COc1ccc(C=O)c2cc(-c3nc4ncc(I)cc4[nH]3)oc12 586904180 RTVXIAJBBDTPRG-UHFFFAOYSA-N 419.178 3.797 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nccc2[nH]1 586937981 SXVSEXFRGREAMD-INIZCTEOSA-N 404.561 3.656 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587258400 KDYLUSFBNJQTOW-KRWDZBQOSA-N 406.417 3.972 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 587344524 GXSYDEPYABMEHR-OFNKIYASSA-N 401.397 3.952 0 1 HHAF COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587374864 KCRNATVRUXUXCW-FQEVSTJZSA-N 422.264 3.877 0 1 HHAF C[C@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584685 AIXYNMHDRUDSLH-HYBUGGRVSA-N 401.418 3.769 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 587833906 IIQHAMJAKPYEJN-XYZCENFISA-N 422.250 3.777 0 1 HHAF COc1ccc2c(c1OC)[C@]1(C(C(=O)O)=CN(C)c3c(C)cccc31)N(C)[C@H](C)C2 962618828 DXHLMSAOCBGWFL-MYYSRTQBSA-N 408.498 3.551 0 1 HHAF CCOC(=O)CCC[C@]1(C(C)C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980369 UJKVTJVNUTUPHZ-IFXJQAMLSA-N 403.853 3.802 0 1 HHAF COC(=O)CN1C=C[C@@]2(c3cccc(OC)c31)c1c(F)cccc1C[C@H]1CCCN12 963103862 LWDOKIBCBSKKNZ-MZNJEOGPSA-N 408.473 3.605 0 1 HHAF O=C(O)c1cccc2c1CCN[C@@H]2c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 963152125 UFXPGEQPLRHKPQ-LJQANCHMSA-N 417.387 3.763 0 1 HHAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]13)[C@@H]2CC(C)=O 1911574861 BNWCAXPQWZXTPP-RRGIDARWSA-N 424.541 3.612 0 1 HHAF CC(C)(O)[C@H]1Cc2c(cc3oc(C4(O)CCCC4)cc(=O)c3c2OC2CCCC2)O1 2356318187 XXTNSCUVJBTGFF-LJQANCHMSA-N 414.498 3.950 0 1 HHAF CC(C)[C@H](C)C(=O)Nc1nc2c([nH]1)[C@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 2356543949 WSPTYPWIKVJOTQ-KBPBESRZSA-N 420.517 3.866 0 1 HHAF CC1=C[C@@H]2C=CC[C@H](C)[C@H](O)C=CCC(=O)O[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@@H]1C 2356823131 GJGYPEJFZWTPPJ-GLYHOXOVSA-N 401.547 3.545 0 1 HHAF O=C(NC[C@H]1OCCc2ccccc21)c1cc(COc2c(F)cccc2F)on1 13594131 ZFEMJXCMKOJBLJ-LJQANCHMSA-N 400.381 3.576 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 95569318 HYOMYOKEHVTOLA-LJQANCHMSA-N 405.903 3.884 0 3 HHAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCOc1ccccc1 4153941 HYARTDWGSDWVAO-FYYLOGMGSA-N 420.465 3.965 0 1 HHAF Cc1cccc(N2C(=S)N[C@@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@H]3C(=O)N(C)C)c1 13497250 LJUAQGRPCBYPRT-OPYAIIAOSA-N 415.946 3.897 0 1 HHAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1CC1CC1 13583824 WSMITVISEXCUHD-KRWDZBQOSA-N 418.538 3.666 0 1 HHAF COc1ccc(C(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)cc1 13747120 VXLUVYTVEUVNBU-UHFFFAOYSA-N 424.570 3.637 0 1 HHAF NC(=O)[C@@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1 14959198 BCUUZFIFKKWEHW-FQEVSTJZSA-N 419.872 3.682 0 1 HHAF COc1cc([C@@H]2OC(=O)[C@H](C)[C@@H]2C)c(-c2ccc3c(c2)OCO3)c(OC)c1OC 15210975 BCODXKYYJNZFCJ-AVCJSFLBSA-N 400.427 3.978 0 1 HHAF biogenic CCOC(=O)[C@H](CCc1ccccc1)C[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C(=O)O 28260947 FSCGJDFCNOIPDF-ZNLUXHQJSA-N 423.509 3.867 0 1 HHAF Cc1cc(C)c(S(=O)(=O)N[C@H](Cn2ccc3ncccc32)C(F)(F)F)c(C)c1 38215966 DGELEWLFMTZTAW-QGZVFWFLSA-N 411.449 3.871 0 1 HHAF Cc1nnc(C)n1C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 40394937 ZHSPLCRKVQNOGM-HXOBKFHXSA-N 409.578 3.968 0 1 HHAF O=C(Cc1ccc(Br)cc1)Nc1n[nH]c2ncc(Br)cc12 53314061 OTTYVCYQOVWKJD-UHFFFAOYSA-N 410.069 3.664 0 1 HHAF c1cc(CCNc2nc(-c3ccc4cc[nH]c4c3)cc(N3CCOCC3)n2)ccn1 60325263 WRVBIJFTBIANJZ-UHFFFAOYSA-N 400.486 3.511 0 1 HHAF Cc1ccc2c(N3CCN(CCc4cccc5c4CCC(=O)N5C)CC3)cccc2n1 64560267 YGGWPFVYONWFMB-UHFFFAOYSA-N 414.553 3.817 0 1 HHAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCCc3ccccc3)c2cc1OC 82128726 UNSUCOYLIBXSMF-QGZVFWFLSA-N 408.502 3.893 0 1 HHAF CCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 95576410 RXXLADDTCRLFRA-HXUWFJFHSA-N 414.933 3.749 0 1 HHAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCCc1ccccc1 95613242 FHWDBURJDRCBLO-VNWJRITISA-N 416.558 3.876 0 1 HHAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104005690 ZYPUMPCGYVCRIZ-YCRPNKLZSA-N 411.454 3.946 0 1 HHAF CCC(C)(C)n1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21 117693528 BKJVBBWPOYUPFA-UHFFFAOYSA-N 416.533 3.673 0 1 HHAF COc1ccc(-c2cnc(N3CC(Oc4ccc([C@@H](C)NC(C)=O)cc4)C3)nc2)cc1 142330639 ZOUGMCSVOGSTCX-MRXNPFEDSA-N 418.497 3.617 0 1 HHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(O[C@@H]4CCOC4)cc3)oc2c1 168625723 YGXNSORNXNCSOR-KBXCAEBGSA-N 405.454 3.913 0 1 HHAF CC(=O)OCCN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3cscc32)CC1 169331428 ACNWNVXMEBOIJD-UHFFFAOYSA-N 418.950 3.742 0 1 HHAF CC1(C)Cc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C(=O)O)CO1 199229775 YKMWHSDLZJELIS-UHFFFAOYSA-N 408.476 3.564 0 1 HHAF C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 224865380 DEPMZTVICJMRCC-HRAATJIYSA-N 414.477 3.635 0 1 HHAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 299880770 MVLMLUFVSRJKDS-CQOQZXRMSA-N 419.525 3.639 0 1 HHAF C[C@H]1c2nnc(-c3cnccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 473106896 ZAJVOXZSUBHRRY-JTQLQIEISA-N 422.798 3.624 0 1 HHAF Clc1ccc2c(Nc3ccc4[nH]c(=NCCN5CCOCC5)[nH]c4c3)ccnc2c1 474603433 BZORKVIGCSLKRR-UHFFFAOYSA-N 422.920 3.674 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cccc(CO)c4)[nH]c3c2)cc1 586895468 INFKKPVBECMLOW-UHFFFAOYSA-N 409.467 3.532 0 1 HHAF Brc1cc2[nH]c(C[C@@H]3COCCO3)nc2cc1OCc1ccccc1 586911266 WYESJYIPOJZIIB-CQSZACIVSA-N 403.276 3.862 0 1 HHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 587125193 CYJCSSCESDMVGC-MUWHJKNJSA-N 401.190 3.891 0 1 HHAF O=C(O)c1cc(Br)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 587127500 ZOVRXKPWFWFCFN-UHFFFAOYSA-N 407.186 3.964 0 1 HHAF O=C1C[C@H](c2c(N3CCOCC3)nc3ccccn23)Oc2c1ccc1c2CCCC1 587515239 MHYXPIJORMNFJT-HXUWFJFHSA-N 403.482 3.756 0 1 HHAF COCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530063 DIYYJPIVEMYBGC-OAQYLSRUSA-N 400.496 3.692 0 1 HHAF COC(=O)/C=C/c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592178 IRIXMHDIGPJFLJ-KQQGHVOYSA-N 418.401 3.987 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)nn2C)N1 587687157 XOVBTUUTYDAXNJ-WJWGPLDTSA-N 403.093 3.708 0 1 HHAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 587748366 WPSAOCAMHDVCJT-BCTVWOGZSA-N 406.255 3.944 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COC(=O)c2ccccc2N)N1 587750091 RKQQWSSYJQFAKS-JEOXALJRSA-N 407.283 3.777 0 1 HHAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 587788898 AJAKTSSUTGEPAD-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793951 OJXBDHRIDICBOC-RRUGBERISA-N 402.304 3.553 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC2OCCO2)N1 587833719 ORXRQWKPWYDINT-ODXCJYRJSA-N 422.294 3.964 0 1 HHAF Cc1cccc2c1[C@]1(C(=O)Oc3ccccc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841304 KZIQDPMDDZXUCP-VOIUYBSRSA-N 423.465 3.794 0 1 HHAF CC(=O)C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@H](C=C=CBr)O[C@H]21 2356442822 RCEIRMABDXAXPX-YHMKDAJLSA-N 404.098 3.828 0 1 HHAF O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 13743414 GRIDUXWKYXOBJN-UHFFFAOYSA-N 406.505 3.910 0 1 HHAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc3c2OC(C)(C)C3)N2CCNCC2)cc1 22939859 JADQIZMTGFFEHQ-QHCPKHFHSA-N 421.585 3.877 0 1 HHAF OC1=NCCN1CCN1CCN([C@@H]2C[C@H](c3ccc(Cl)cc3)c3ccccc32)CC1 26382311 FBEYCJGEXYBVOE-DHIUTWEWSA-N 424.976 3.764 0 1 HHAF O=C(c1ccc2c(-c3ccc(OC(C(=O)O)C(=O)O)cc3)nocc1-2)C1CCCC1 28569169 XNCWTBJFUIBISU-UHFFFAOYSA-N 409.394 3.736 0 1 HHAF CN(C)C(=O)N1Cc2cc(I)ccc2[C@H](c2cccc(O)c2)C1 28572511 OBPPICMYRQACDF-KRWDZBQOSA-N 422.266 3.626 0 1 HHAF CN(C)C(=O)N1Cc2cc(I)ccc2[C@@H](c2cccc(O)c2)C1 28572512 OBPPICMYRQACDF-QGZVFWFLSA-N 422.266 3.626 0 1 HHAF CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(NC[C@@H](O)CO)n2)s1 64527048 WITIRFHZANXVNF-GFCCVEGCSA-N 419.938 3.506 0 1 HHAF Cc1c2c(n3c1CC[C@@H](C)N[C@H](C)CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71316402 ZJLULZSQJMGWCS-HUUCEWRRSA-N 422.573 3.764 0 1 HHAF Cc1noc(C)c1Cn1cc(N2C(=O)N([C@@H](C)c3ccccc3)C(C)(C)C2=O)cn1 115730853 MRNUKZUIKPPHAN-HNNXBMFYSA-N 407.474 3.845 0 1 HHAF O=C(Cc1ccc2nc(O)c(Nc3ccccc3)cc2c1)NCCN1CCCCC1 299838183 LXWZFUBPTQBKHS-UHFFFAOYSA-N 404.514 3.829 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@H](C(=O)O)[C@H]4C)-c1ccccc1C2=O 587102156 SMDWKQPDMZTRIE-XQAQDONZSA-N 401.418 3.816 0 1 HHAF Oc1ncnc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 587160686 AKSHNLACPYREFW-UHFFFAOYSA-N 402.183 3.814 0 1 HHAF Nc1ncc(-c2cccc(-c3nc4ccc(I)cc4[nH]3)c2)cn1 587254166 IGSKRDHAHCUVFV-UHFFFAOYSA-N 413.222 3.874 0 1 HHAF Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411421 ZRAYEKMMTBWTRS-QFIPXVFZSA-N 410.495 3.805 0 1 HHAF CC(C)(C)C(=O)N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576847 INIXMOWQMMHAFD-DENIHFKCSA-N 418.449 3.897 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 587725323 PPQDSMIWKKXPBR-XYZCENFISA-N 416.287 3.754 0 1 HHAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587754286 JJLDVCSBKQBNEM-VFGMZZLHSA-N 407.327 3.983 0 1 HHAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O 587792902 LUPYRBYQVVYBMQ-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF CC[C@H](c1nnnn1-c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 653790198 OSFYKWKNFVCMKM-GOSISDBHSA-N 405.531 3.545 0 1 HHAF COc1cccc2cc3c(nc12)C1(CCN(c2ccc(C(=O)O)cc2)CC1)NCC3 963059045 RZVFCHWKOAAWRF-UHFFFAOYSA-N 403.482 3.583 0 1 HHAF COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)c1c(F)cccc1C[C@@H]1CCCN12 963099791 IJSVHHFPSLLPIA-TXBYWVTISA-N 418.509 3.614 0 1 HHAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cnc(Cl)s1 963151668 XXGJYQQLVAMKBZ-PSASIEDQSA-N 401.897 3.589 0 1 HHAF CC(=O)c1c[n+](Cc2ccccc2C)ccc1C[C@@H]1Cc2cc3c(cc2C1=O)OCO3 1772575173 PFASLSOBNPNVOU-OAQYLSRUSA-N 414.481 3.860 0 1 HHAF Cn1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2c1C1CC1 1911570451 IJSXQBFBDJDDJY-UHFFFAOYSA-N 416.312 3.771 0 1 HHAF CC1=CCC2=C(C(C)C)CC(=O)O[C@]2(C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@@H]1O[C@]3(C)O 2356532426 YAEXNKPEJYCROB-NWXGMGMZSA-N 416.514 3.945 0 1 HHAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@@H]3O 2356648697 NHAOANQCNDNNRY-FMBVXHQPSA-N 416.514 3.508 0 1 HHAF Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccccn2)c1 4858736 CCZMXVHFBZBCDK-GOSISDBHSA-N 409.515 3.544 0 3 HHAF OCCNc1nc(Nc2cc(Cl)ccc2OC2CCCC2)nc(N2CCCC2)n1 12479997 MPONWEUCRQKQQM-UHFFFAOYSA-N 418.929 3.594 0 3 HHAF Cc1cnc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cn1 199235884 OOVVRNIRBORWKS-HXUWFJFHSA-N 400.486 3.701 0 3 HHAF Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1F 6818538 PHMQGGVBNMUHJZ-UHFFFAOYSA-N 406.298 3.761 0 1 HHAF COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCc3cccs3)C2)cc1OC 11814637 NXIJLHCDXCOBEZ-LJQANCHMSA-N 416.587 3.863 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@H](O)Cc2cccc(F)c2)cc1 13972142 CILMWGKYOULOMR-VXKWHMMOSA-N 413.489 3.831 0 1 HHAF O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1 28376634 PVMVBLLHMPCZOJ-UHFFFAOYSA-N 407.539 3.659 0 1 HHAF O=C(O)Cn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21 33817937 CGRYPFQLSPYBQD-UHFFFAOYSA-N 406.221 3.682 0 1 HHAF CCC[C@@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 36487257 ZCICNSSKXNMYFG-SJLPKXTDSA-N 403.500 3.992 0 1 HHAF CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(O)c2)N1C(=O)C(C)C 49807675 NWQGWFQMZIAQGH-IRLDBZIGSA-N 406.482 3.935 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccc(F)cc2)C(=O)C1 59280298 BDJRDBWWNDQMOS-UHFFFAOYSA-N 400.759 3.987 0 1 HHAF C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)c1cccnc1)CC3 66111913 DTGRKGKZRPNEPS-QGZVFWFLSA-N 415.493 3.715 0 1 HHAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 82082916 BNSGCJNMLAEURU-AWEZNQCLSA-N 423.966 3.905 0 1 HHAF COc1cc2nc(N3CCN(C)CC3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82125772 RCCVEMOYEIQKBL-KRWDZBQOSA-N 421.545 3.614 0 1 HHAF Cc1cccc2cc([C@@H](C)Nc3nc(N)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 88346168 ICRLCUMPFBTBRW-CQSZACIVSA-N 411.469 3.721 0 1 HHAF O=C1C[C@H](c2ccccc2Cl)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 101643701 LLYZNICLUVLSRO-GOSISDBHSA-N 418.324 3.616 0 1 HHAF N#Cc1cnc(SCc2cccc(C(=O)NCCO)c2)c(C#N)c1-c1ccccc1 113379459 RYNDARWSEZMFCR-UHFFFAOYSA-N 414.490 3.506 0 1 HHAF CCOC(=O)c1[nH]c2ccc(-c3[nH]c(C(=O)NCc4ccncc4)nc3C)cc2c1F 115832484 GTIUUFDCOLSPJI-UHFFFAOYSA-N 421.432 3.507 0 1 HHAF CN(CCCCCc1ccccc1)CCn1c(O)c2n(c1=O)Cc1ccccc1C2 169718917 NZCZEWARNPACBN-UHFFFAOYSA-N 405.542 3.653 0 1 HHAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586891296 PPFPURMSVOIAHJ-YWZLYKJASA-N 401.532 3.787 0 1 HHAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587142410 ZCSVYLWCKIVUGW-UHFFFAOYSA-N 409.748 3.568 0 1 HHAF COC(=O)c1cc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1OC 587222053 XPYGKSYZFITDTQ-NRFANRHFSA-N 415.449 3.878 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Br)c(Br)n1C)O2 587374887 ZSQIOAJCBOBIDX-SNVBAGLBSA-N 415.085 3.542 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587422824 UXPLXPVLYNFAJM-MKBNYLNASA-N 401.381 3.657 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471927 XHGQGNYHUCBTNG-XBCBRRGRSA-N 419.518 3.998 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2=O 587488915 SOLNBIVSROHNAN-OAQYLSRUSA-N 415.511 3.836 0 1 HHAF COC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596732 RMMGDYOWLNJQEL-NFBKMPQASA-N 406.390 3.647 0 1 HHAF Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(-n2ncc3ccc(Cl)cc3c2=O)n1 587652236 YZCPUOZDIIRQPU-UHFFFAOYSA-N 420.782 3.557 0 1 HHAF COC(=O)c1ccc(-n2c(O)cc(C3CCCCC3)c2O)c(O[C@H]2CCOC2)c1 587925398 HHYCTRJHJKSHMU-INIZCTEOSA-N 401.459 3.891 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1cccn1CC(=O)OC(C)(C)C)N(C)[C@H](C)C2 962571049 OMIXVVOHNSNUEF-VFNWGFHPSA-N 400.519 3.813 0 1 HHAF COc1ccc(OC)c([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962667481 OCJGWULZRRAGHJ-BJKOFHAPSA-N 406.482 3.614 0 1 HHAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc3nc(O)[nH]c3c2)N1 963191432 IADSODTWDAKWDS-DOMZBBRYSA-N 411.767 3.629 0 1 HHAF Cc1cc2c(cc1O)[C@](CCC(=O)O)(c1cccc3ccccc13)N[C@H](C(=O)O)C2 963513227 ZQTDPPPUCHCZEE-RDPSFJRHSA-N 405.450 3.561 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCCC12CN(C(=O)OC(C)(C)C)C2 963629134 AEVKIHANLKWRQL-WNSKOXEYSA-N 402.535 3.854 0 1 HHAF Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc4c(c3)OCC4)cc21 1857745747 HGLUSLQAEOTCFZ-UHFFFAOYSA-N 417.421 3.973 0 1 HHAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(O)c(C(=O)CO)c(O)c(CC=C(C)C)c2O1 2356410595 PEFJLTHYBPRVEW-JPYJTQIMSA-N 404.503 3.582 0 1 HHAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CCC(=CCO)CO 2356600167 CCNLJIUCOXTJDA-PWSZPPJVSA-N 422.562 3.863 0 1 HHAF COc1cc(C[C@@H](C)[C@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356662710 CYZCXBPLKCLBKE-OLZOCXBDSA-N 404.459 3.830 0 1 HHAF CCOc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1 104045606 FWQZYJOIHFWTBD-OXJNMPFZSA-N 415.559 3.850 0 3 HHAF CC1(C)SCN(CCCCN2CCN(c3nc4ccccc4s3)CC2)C1=O 13759451 ULQJZGQGFHYRMV-UHFFFAOYSA-N 404.605 3.510 0 1 HHAF COc1ccc([C@@]2(Cc3ccncc3)CCN(C(C)=O)C2=O)cc1OC1CCCC1 27325886 OBECNAJNLSRUMV-DEOSSOPVSA-N 408.498 3.671 0 1 HHAF Nc1ccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@@H]5C4)ncnc3o2)cc1 28116434 KQDJDEWGSPCWAC-AZUAARDMSA-N 412.497 3.578 0 1 HHAF Cc1ccccc1O[C@@H](c1cccc(I)c1)[C@@H]1CNCCO1 28881128 GUJGIDDFMFZKIV-ROUUACIJSA-N 409.267 3.708 0 1 HHAF in-vivo CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCC(=O)O 64527293 JGAKDUIBXGMKCC-UHFFFAOYSA-N 414.462 3.906 0 1 HHAF CNc1nc(N2CCN(c3cc(C)ccc3C)CC2)nc2cc(OC)c(OC)cc12 82131959 DFBFBROFGISGTE-UHFFFAOYSA-N 407.518 3.632 0 1 HHAF CCNc1nc(N2CCN(c3ccccc3F)CC2)nc2cc(OC)c(OC)cc12 82132182 OGDOEXCSVYCORZ-UHFFFAOYSA-N 411.481 3.545 0 1 HHAF CC(=O)N1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)CC1 82165739 DPZPBUPKICVCCE-UHFFFAOYSA-N 405.483 3.682 0 1 HHAF COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccccc3)ncnc21 82178328 SHBLQBDDBRAMHS-UHFFFAOYSA-N 417.469 3.538 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4ccnc5ccccc45)ccc31)[C@@H]1CC[C@H](C2)N1 96175288 HOAWKKYLOUGPPY-KUHUBIRLSA-N 403.507 3.909 0 1 HHAF O=C1NCCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 113698416 VIWGHBNGJGMYAO-DHFPXDALSA-N 414.456 3.939 0 1 HHAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccn2)C1 114097363 UTSNEVVMNRJWKS-OAQYLSRUSA-N 423.557 3.750 0 1 HHAF CN1Cc2cc(Cl)ccc2-n2c(nnc2N2CCC3(CC2)OCc2ccccc23)C1 118721810 UXRZHQWSQIMSOB-UHFFFAOYSA-N 421.932 3.892 0 1 HHAF CC(C)(O)c1ccccc1S(=O)(=O)c1cc(Cl)c2oc3c(c2c1)CNCC3 147522022 WMPBWWWBJVMPDH-UHFFFAOYSA-N 405.903 3.792 0 1 HHAF O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)/C=C/c2ccccc2)/C=C\CCN1 211379047 KPKZFSIYSKUMNN-NJSBNCGVSA-N 403.526 3.673 0 1 HHAF COc1ccc(Oc2ccc([C@H](C)N(C)c3ncc4c(N)nc(N)nc4n3)cc2)cc1 230561984 OWHDETKHTAYSHV-ZDUSSCGKSA-N 417.473 3.583 0 1 HHAF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(O)c(C(=O)CO)c(O)c(CC=C(C)C)c2O1 238767416 PEFJLTHYBPRVEW-MBSDFSHPSA-N 404.503 3.582 0 1 HHAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)cc1 586931297 PYDSOOZDOXQCIC-UHFFFAOYSA-N 419.510 3.647 0 1 HHAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(F)cnc2[nH]1 587108086 PGMRTFVKWVVHKL-CYBMUJFWSA-N 414.384 3.642 0 1 HHAF N[C@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1F 587142873 OTZCULOIZMZWFR-LLVKDONJSA-N 414.076 3.865 0 1 HHAF COC(=O)c1cc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2cc1OC 587144991 UGQIKEADGGKJBP-ZDUSSCGKSA-N 422.254 3.502 0 1 HHAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1 587170013 MIFAROQBBCNYRK-INIZCTEOSA-N 416.865 3.818 0 1 HHAF COc1cc2c3c(c1)O[C@](C)([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587438266 OCVUKPYGJZTFJR-PGKMIFDNSA-N 403.475 3.573 0 1 HHAF Nc1ncc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587573785 CZNNHXJBSSUFNL-NZQKXSOJSA-N 411.417 4.134 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@H](C)Cc2ccc(F)c(Br)c21 587746433 MWLIMTNRQCUSOY-RRHAMDBCSA-N 421.310 3.787 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587791016 DRRPIUZJJRNRQP-ZKANADHPSA-N 404.239 3.786 0 1 HHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C1=NS(=O)(=O)c2ccccc21 587863714 GGBBBHHKPOIMCZ-UHFFFAOYSA-N 407.373 3.575 0 1 HHAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CC5CC5)[nH]c4c3)cc2)CC1 587963925 WDJLWDUHGSHVMK-UHFFFAOYSA-N 417.557 3.558 0 1 HHAF CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)CC3)c(F)c2)CC1 653766268 DFARKYSUZYRJBS-UHFFFAOYSA-N 417.569 3.824 0 1 HHAF CN1CCN(C(=O)c2ccc(-c3cnc4cnc(/C=C/c5ccccc5)cn34)cc2)CC1 653778378 BFHSPDLFXIVPGH-KPKJPENVSA-N 423.520 3.954 0 1 HHAF CC(=O)c1c(O)cc(O)c(C(CC(C)C)c2c(O)cc(O)c(C(C)=O)c2O)c1O 1772644289 HZMXQOXHONSCSV-UHFFFAOYSA-N 404.415 3.503 0 1 HHAF c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1 1857629865 CLSOYTXEDRIKTJ-NRFANRHFSA-N 421.614 3.866 0 1 HHAF COc1ccc([C@@H]2Oc3cc4c(c(OC)c3C(=O)[C@@H]2O)C=CC(C)(C)O4)c(OC)c1 2356625316 IQEOIUQZHNDKTI-UNMCSNQZSA-N 412.438 3.574 0 1 HHAF CO[C@]1(C(C)C)CC[C@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)O)C[C@]42CN(C)C1 2356745092 CJTKUZUOJCPZPE-CSWUKUHYSA-N 403.563 3.935 0 1 HHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)[C@H](N)CCCCN)CC[C@H]12 61946601 QCJMDCQDWLPFLZ-HJWZPOCRSA-N 420.638 3.758 0 3 HHAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 72137503 OADMOJCQIGCUQC-IBGZPJMESA-N 405.903 3.884 0 3 HHAF CC(=O)N1CCC(c2nc3ccccc3n2[C@H](C)C(=O)NCc2ccccc2)CC1 199230083 GKDWAEYCARCHCW-QGZVFWFLSA-N 404.514 3.640 0 3 HHAF COc1cccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 2352597 OSMQIWXVTKJSHL-RTWAWAEBSA-N 403.434 3.748 0 1 HHAF Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCC(C(N)=O)CC4)ccc23)cc1 9406327 GEORXFOQYFKUAW-UHFFFAOYSA-N 418.522 3.862 0 1 HHAF CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 26771901 HTBWBIHOCOVAKE-GIGQVBGESA-N 413.470 3.931 0 1 HHAF biogenic Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccccc3Cl)cc12 28380846 YJRGAJBNQYUINN-UHFFFAOYSA-N 424.932 3.966 0 1 HHAF CC(C)CCCCN([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 28957768 IXMXTWAFVBCGLI-GOSISDBHSA-N 400.972 3.826 0 1 HHAF NC(=O)c1ccc2[nH]c(=O)c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)cc2c1 34804244 ZXNNOKYYNWCZSH-UHFFFAOYSA-N 400.482 3.761 0 1 HHAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82083077 RKFDRFXVWVLOOD-QGZVFWFLSA-N 423.513 3.936 0 1 HHAF Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 84690983 WXMXOFVILNBGTA-UHFFFAOYSA-N 409.389 3.524 0 1 HHAF N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccc(F)c(F)c1 88260868 KTSDIWWYGMIOMZ-KNQAVFIVSA-N 420.525 3.537 0 1 HHAF COc1ccc(/C=C/C(O)=C2/C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)c(OC)c1OC 100622629 OWUWZAVJFQJYSL-FALGORBNSA-N 423.465 3.950 0 1 HHAF O=C(O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 169728816 XUJSSDSFCZZNSE-UHFFFAOYSA-N 412.893 3.592 0 1 HHAF COc1ccc([C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cc1 205134177 QYLWOXYZAQTVHL-IBGZPJMESA-N 404.514 3.859 0 1 HHAF O=c1oc2ccccc2c(O)c1/C=C/n1cnc2c(NCc3ccccc3)ncnc21 211900220 YZTWBJFWCBHALN-ZHACJKMWSA-N 411.421 3.878 0 1 HHAF Fc1ccc2[nH]c(=NCCCN[C@@H]3CCOc4c(Cl)cc(Cl)cc43)[nH]c2n1 584905059 YWDBMYZFLWAEHC-CYBMUJFWSA-N 410.280 3.741 0 1 HHAF in-vitro CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)ncc2[nH]1 586973076 NFQGWIBDBROUIC-HNNXBMFYSA-N 405.321 3.831 0 1 HHAF CC(=O)N[C@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(C)cc1 587217712 YLWFFRCVWMKVBE-MRXNPFEDSA-N 419.266 3.896 0 1 HHAF CCOC(=O)CNc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587224514 JQEALQDDUVVUTC-UHFFFAOYSA-N 421.238 3.810 0 1 HHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c1 587232157 LYVBWUTXHVNXEA-UHFFFAOYSA-N 411.387 3.941 0 1 HHAF COc1cc(OC)cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660767 SQXVYXSRPQBDOB-UHFFFAOYSA-N 404.397 3.908 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccco3)c(=O)c3ccccc23)c(O)c1 587664681 GUISSKJCCCCZOT-UHFFFAOYSA-N 403.438 3.897 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 587742444 RJTGRSUNOOPFPA-YUNKPMOVSA-N 421.310 3.679 0 1 HHAF Cc1cccc([C@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962975913 NFGCKTCDEKGZCH-YWZLYKJASA-N 409.816 3.634 0 1 HHAF CN1C(=O)C[C@H]2CN[C@@](c3cccc(Cl)c3)(c3cccnc3N)c3cccc1c32 963017454 CQGJKWIUURNXEH-LFVRLGFBSA-N 404.901 3.662 0 1 HHAF Cc1nc(=O)c2c(C)nc(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)c(C)c3)n2[nH]1 1772570778 HOEXIOFOBFXYJF-UHFFFAOYSA-N 416.407 3.738 0 1 HHAF Cn1ncc2c(Oc3ccc4c(c3)[nH]c(=Nc3cccc(Cl)c3)n4C)ncnc21 1857630507 OFQHHAUCLJVHEA-UHFFFAOYSA-N 405.849 3.861 0 1 HHAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 95568092 IRHFOMHRPKBSOF-HSZRJFAPSA-N 422.552 3.910 0 3 HHAF C[C@H]1CC[C@H]2[C@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](N3CCCCC3)[C@@H]12 3823007 SYPNOGGRCOHUCT-RSPBUNKGSA-N 416.606 3.510 0 1 HHAF CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1 13537998 GVPZOBTYTLRDGR-GOSISDBHSA-N 413.909 3.919 0 1 HHAF CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 13612778 BYVHYHDPNSTEKR-UHFFFAOYSA-N 421.497 3.757 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 15270668 IHVGPKYZFAVXGZ-PJYBLOJUSA-N 402.443 3.675 0 1 HHAF biogenic CC(C)O[C@H](Cc1ccc(OCCc2noc(-c3ccc(F)cc3)n2)cc1)C(=O)O 26403202 STGWLVIBJLXXID-LJQANCHMSA-N 414.433 3.918 0 1 HHAF COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Br 29393340 REPHCURLJJCCGH-UHFFFAOYSA-N 404.308 3.828 0 1 HHAF CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c(=O)nc(N)[nH]c12 45369504 GYXAXLLQFNASIO-UHFFFAOYSA-N 406.370 3.795 0 1 HHAF Cn1cc(-c2ncco2)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)n1 71334512 FGGCFGLSCSQSEA-UHFFFAOYSA-N 402.458 3.717 0 1 HHAF CCC(=O)c1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cs1 72183355 SYHWIMVHWVXBDN-QFIPXVFZSA-N 422.485 3.572 0 1 HHAF COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(C)CCO)n2)cc1 82066578 KFDHILVHZWGQOJ-KRWDZBQOSA-N 423.517 3.534 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)cs1 82069281 IONFCAQBLAIHMK-QGZVFWFLSA-N 410.495 3.723 0 1 HHAF CCCCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3OCC)n2)C1 82069547 JGHNKLLSEAZFQA-INIZCTEOSA-N 415.559 3.977 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 82196622 FWQGDYVCKLORLK-QETZGRNESA-N 424.516 3.637 0 1 HHAF CCC[C@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 141939069 HSCHICQAZGKSML-UZLBHIALSA-N 421.497 3.998 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(F)cc1 146098615 REPPUNYGLVTEFE-HNAYVOBHSA-N 413.493 3.663 0 1 HHAF CC1=C[C@@H]2/C=C(/C)CCC[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C 169290232 HXVGXVHKKDWYHZ-DRFOMEJCSA-N 401.547 3.689 0 1 HHAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2ccncc2)CC1)OCO3 206569159 LZUNCPIXQFPDQT-UHFFFAOYSA-N 405.498 3.558 0 1 HHAF O=C(c1cccc(Nc2ncc(-c3ccc4c(c3)OCO4)cn2)c1)N1CCSC1 230564141 PIOSLGSVWDZYLG-UHFFFAOYSA-N 406.467 3.762 0 1 HHAF COc1cc(CCNCc2c(OC)cccc2OC)c(OC)cc1Br 473108266 LTMHOYKRAWHOMY-UHFFFAOYSA-N 410.308 3.816 0 1 HHAF CNC(=O)[C@H]1C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587234696 IBCRVNPFGPNLBV-RYUDHWBXSA-N 420.366 3.823 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(I)ccc31)O2 587385276 CAAHPFLCAUVGGZ-GOSISDBHSA-N 405.235 3.989 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1O[C@@H](C)C(=O)O)CC2=O 587481708 HECMSIAGCYSNOA-HXPMCKFVSA-N 400.427 3.912 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccn1)c1ccccn1 587585608 FDEOIWBRIKZVDW-SQJMNOBHSA-N 424.412 3.922 0 1 HHAF COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587589861 AXCIBMKXOVVUMS-AAORUROXSA-N 402.402 3.910 0 1 HHAF C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 587623287 PFCNMLANNIVEBN-BSPOPTCYSA-N 415.291 3.797 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@]3(CCCNC3)Oc3ccccc31)N(C)[C@H](C)C2 962629588 PISOESHVRQNEGW-LJXNEXSDSA-N 408.542 3.729 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(F)c2C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962766663 OTGZPQZGEOAPAC-XLIONFOSSA-N 409.379 3.587 0 1 HHAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccc(C(F)(F)F)cc1 2356604086 RZBGEYNTIZUXMF-QWFCFKBJSA-N 409.496 3.632 0 1 HHAF COC(=O)C=C(OC)[C@@H](C)[C@@H](C=Cc1csc(-c2csc(C(C)=O)n2)n1)OC 2356614707 FJJCCBLQMQQDDM-XHDPSFHLSA-N 422.528 3.837 0 1 HHAF Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)N(C)C1CCCCC1)S2 3273047 XECJIESDJYAMQM-IRXDYDNUSA-N 405.955 3.790 0 3 HHAF CN(Cc1ccno1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 13594579 YAKVLGCZZHDRKL-UHFFFAOYSA-N 402.454 3.947 0 3 HHAF CCCc1cc(OC)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28256829 INAIPPDCLHWANB-UHFFFAOYSA-N 401.470 3.705 0 1 HHAF CCNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3sccc3n2)cc1 45353060 XQXVCGDWWAHZSJ-IYBDPMFKSA-N 409.515 3.867 0 1 HHAF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 82073488 CHZTTZSSGUIYGK-IBGZPJMESA-N 400.475 3.615 0 1 HHAF CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCCN1CCCC1=O 82186439 LUKOGKXROJUZBV-UHFFFAOYSA-N 407.522 3.503 0 1 HHAF N[C@@H]1CCc2ccc(CNS(=O)(=O)c3ccccc3)cc2[C@H]1Cc1ccccc1 88260826 IDSHSZLDIFDQLI-DNQXCXABSA-N 406.551 3.765 0 1 HHAF COc1cc(C(=O)c2nc3cc(Br)ccc3n2C)cc(OC)c1OC 95582123 RXWVJTRGPDFXPA-UHFFFAOYSA-N 405.248 3.593 0 1 HHAF CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO 95878784 CQFOTEJANFUFPP-OYDLWJJNSA-N 424.516 3.620 0 1 HHAF O=C1CNc2ccc([C@]3(O)c4ccccc4C(=O)N3c3cccc(Cl)c3)cc2N1 116252723 VBZSFJIAULDMFO-QFIPXVFZSA-N 405.841 3.558 0 1 HHAF CCCNC(=O)N1CCc2c(F)ccc(-c3cc(CC(=O)O)ccc3OC)c2C1 144216320 VJUWPYIFWYWCBM-UHFFFAOYSA-N 400.450 3.606 0 1 HHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC[C@H]4CCCN4)cc3)oc2c1 145741902 TZFVSGPYEQJXKV-CRAIPNDOSA-N 418.497 3.876 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2F)c2cc[nH]c2c1=O 146427359 IPNIOMPUYUHGOT-UHFFFAOYSA-N 412.442 3.869 0 1 HHAF CN1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C[C@H](c2ccccc2)C1 199025294 XEOMUEXWMYJZJS-SFTDATJTSA-N 411.509 3.843 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(C)(C)C4)n3)C2)cc1 261161880 QZMAIFSKYHEKDD-LAUBAEHRSA-N 423.561 3.568 0 1 HHAF O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3nnco3)cc1)CC2 299869026 SZUNSGRDUUFULI-UHFFFAOYSA-N 409.877 3.559 0 1 HHAF CN(C)C(=O)Oc1ccc(-c2cn3c(=NC(=O)c4ccccc4)cccc3n2C)cc1 377819939 ILWJGIVYOJVMLT-UHFFFAOYSA-N 414.465 3.746 0 1 HHAF CC(C)(C)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586946132 HCBQVFXKJIQKIK-KRWDZBQOSA-N 413.543 3.985 0 1 HHAF COc1cc(Br)c([C@@H](N)c2nc3cnc4ccccc4c3[nH]2)cc1OC 586976732 XJUIAUQVUIBIGL-QGZVFWFLSA-N 413.275 3.939 0 1 HHAF FC(F)(F)c1ncc2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2[nH]1 586997236 BGVYJJHFPZISKD-OWOJBTEDSA-N 413.153 3.985 0 1 HHAF CN1CCN(c2ccc3[nH]c(-c4ncc(NC(=O)OC(C)(C)C)s4)nc3c2)CC1 587023704 UODXBDNGQIFDRB-UHFFFAOYSA-N 414.535 3.785 0 1 HHAF Cc1ccc2c3c(cc(-c4ccc(-[n+]5cc(=O)o[nH]5)cc4)nc13)-c1ccccc1C2=O 587098743 ULCDTEFEFOCAJF-UHFFFAOYSA-O 406.421 3.980 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)O2 587407416 IHRHXGRKPOVTHT-GOSISDBHSA-N 414.310 3.789 0 1 HHAF Cn1ccnc1[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575645 GEBAEYXPSKYVMH-YKSBVNFPSA-N 413.433 3.613 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2nccn2C)N1 587754222 KTPRPTJJBUAMBA-BUXKBTBVSA-N 401.283 3.543 0 1 HHAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCOCC3CC3)[nH]c2c1 587783576 VECGYKIMTKFNRT-UHFFFAOYSA-N 405.907 3.986 0 1 HHAF COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587804248 DDWFJZVNZLGRIB-APBUJDDRSA-N 408.267 3.878 0 1 HHAF Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587830625 VOZNVUKXPAABKC-MPBGBICISA-N 420.278 3.984 0 1 HHAF CCOc1ccc(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587945562 NAYRPCVFASLWLQ-UHFFFAOYSA-N 402.451 3.745 0 1 HHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccc(Cl)nc2)(c2ccccc2F)N1 962901938 URZCVBHJDJVGPW-LAUBAEHRSA-N 400.812 3.904 0 1 HHAF CC(C)c1nn(C)c2c1C1(CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C1)NCC2 962917113 KVYMLAWBKGHHMZ-UHFFFAOYSA-N 416.488 3.752 0 1 HHAF Fc1ccc([C@@]2(CCCN3CCNCC3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963106962 WGOREHUGBPCEMQ-ZCYQVOJMSA-N 411.540 3.914 0 1 HHAF Cc1ccn2ccnc2c1N1CCCN(C[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 1772596875 QQGXSPRGOJREHA-NRFANRHFSA-N 423.605 3.584 0 1 HHAF Fc1cccc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1 1857610552 COZDTPNEJLDVAN-UHFFFAOYSA-N 419.504 3.646 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356318186 XJQRMHAHQDZZBM-ZVDOUQERSA-N 413.568 3.701 0 1 HHAF CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356645065 DNXLCKCNCYSVJX-FIXSFTCYSA-N 400.563 3.966 0 1 HHAF CC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccco1 4965218 XMTPQFVIDNVFEX-FZKQIMNGSA-N 416.478 3.569 0 3 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@H]3N2C)o1 253916559 MIZKCYNMSIRCPU-VQTKTOELSA-N 419.312 3.936 0 3 HHAF C[C@@H]1CN(CCC(=O)N2CCC(N3CCCCC3)CC2)Cc2cc(Cl)ccc2O1 14986794 ZSVOTQXMJYAZHN-GOSISDBHSA-N 419.997 3.790 0 1 HHAF COc1ccccc1OCCNC[C@H](O)COc1ccc2[nH]c3ccccc3c2c1 33949591 BHNLFXNCZURVOM-KRWDZBQOSA-N 406.482 3.738 0 1 HHAF Cc1ccc(C2=NN[C@@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 49045774 GJXRCQUWMGJZHI-HZUKXOBISA-N 400.326 3.906 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1cc(F)cc(F)c1 49113158 ABPUPKAKVGTPJW-GOSISDBHSA-N 409.845 3.830 0 1 HHAF Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccc[nH]3)c(C)c12 72178953 LRAJDPWVFSONSN-UHFFFAOYSA-N 414.469 3.541 0 1 HHAF COc1ccc(CCNc2nc(N3CCCC3)nc3cc(OC)c(OC)cc23)cc1 82131250 CDCRUSZFVJJESP-UHFFFAOYSA-N 408.502 3.910 0 1 HHAF C[C@H](CNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O)c1ccccc1 82188894 OLOWCQXFLLNJLH-QGZVFWFLSA-N 418.545 3.932 0 1 HHAF CC(C)CNC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(F)cc2F)cs1 82192158 KVIOHGZNRAYWTR-INIZCTEOSA-N 405.474 3.607 0 1 HHAF CCS(=O)(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1 95601119 MWMUWFYVVDLFNG-UHFFFAOYSA-N 424.931 3.594 0 1 HHAF O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95794752 DZMCXYVTJFWCML-DNQXCXABSA-N 422.544 3.947 0 1 HHAF Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(Cl)c2)CC3)n1 169702326 PUAITVYPYCCHBJ-UHFFFAOYSA-N 405.893 3.697 0 1 HHAF CC(C)(C)OC(=O)C1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1 205006276 CEHQJTLNOCVPEM-UHFFFAOYSA-N 423.517 3.866 0 1 HHAF NS(=O)(=O)c1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1 299870557 WKIREGBRKRIMFT-UHFFFAOYSA-N 411.414 3.982 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCOCC1 584606309 PBAAHWVLRFYYSS-UHFFFAOYSA-N 403.360 3.913 0 1 HHAF Cc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br 586953577 VDHCHCBJTBPFIV-UHFFFAOYSA-N 400.342 3.632 0 1 HHAF O=S(=O)(c1ccc(Cl)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1)N1CCC1 586955491 JMCAQBQSCUAGKL-UHFFFAOYSA-N 417.705 3.980 0 1 HHAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(O)c3[nH]2)C[C@H](C)O1 586968644 PQFSXHRWCXPGBT-STQMWFEESA-N 422.514 3.513 0 1 HHAF CN(C)/C=C/[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331606 BDQGABUZYHYSRU-YLXAMFKISA-N 405.429 3.651 0 1 HHAF CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587386800 KWXKSAODKVEETE-LTDXDOBXSA-N 407.514 3.886 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Cl)c(OC)c1)[C@@H](C2)C3=O 587418848 BEPUFSJFLUPKCL-QKKBWIMNSA-N 402.830 3.865 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)CC2=O 587479729 URQNSSYBHKXHOT-NYHFZMIOSA-N 419.474 3.533 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)OC)c(OC)c1)CC2=O 587486360 ZKFDTZMCOBKBBL-IBGZPJMESA-N 400.427 3.612 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2F)N1 587724429 HXWBSGNPQVIYAM-VVVCHXIZSA-N 416.287 3.754 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587772113 VCNGOCDESGSKBC-PRWKNARSSA-N 417.278 3.784 0 1 HHAF COC(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811930 XXUNEZBHBNEVAL-MPBGBICISA-N 422.294 3.938 0 1 HHAF Cc1cccc(-n2ncc3c2CCC[C@@]32N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962897561 MTCMMTWLHPOEQL-YADARESESA-N 405.473 3.807 0 1 HHAF CCn1nc(C)c2c1NC(=O)[C@@H](NC(=O)c1cccc(C)c1)[C@H]2c1ccc(F)cc1 1857610977 DTNILIPWCMHERB-PMACEKPBSA-N 406.461 3.542 0 1 HHAF COc1cc(C(=O)c2cnc(-c3c[nH]c4c(OC)cccc34)[nH]2)cc(OC)c1OC 1857613042 HHRJRYWNKNHCBE-UHFFFAOYSA-N 407.426 3.823 0 1 HHAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccc(F)c(Cl)c4)cccn3[nH]1)C2 1857637444 GGTOKLPPMHMCOK-OAHLLOKOSA-N 410.884 3.797 0 1 HHAF O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CC[C@H](c2ccc(F)cc2)C1 12439279 ZAARVYFQWAENCI-INIZCTEOSA-N 409.417 3.553 0 3 HHAF CCOC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1Cc1ccccc1 12478740 APLBRZILXSYYGY-INIZCTEOSA-N 413.417 3.904 0 3 HHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4C[C@H](N5CC5)[C@@H](C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 263591379 ZFVBYRDTMKLTPA-JDKCYTSDSA-N 415.574 3.639 0 3 HHAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C(F)(F)F)CC1 13560125 KVZHZGYSXAXYRK-UHFFFAOYSA-N 423.479 3.537 0 1 HHAF COc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OC 13862164 YHTZPXKYXVYDGI-UHFFFAOYSA-N 404.418 3.603 0 1 HHAF CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1C)OCO3 17255469 OMMBEWHNDYJBLZ-PWJBXEHMSA-N 415.486 3.966 0 1 HHAF C[C@H](Oc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1)C(C)(C)O 29409598 ZFUXYBWWXNLJPZ-NSHDSACASA-N 403.422 3.709 0 1 HHAF COC(=O)[C@@H]1[C@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 36271811 ZJFUMBPXVUQPSJ-UOVKNHIHSA-N 419.690 3.684 0 1 HHAF CCCCN(Cc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40408371 XGTVHUJGLZCZPD-QFIPXVFZSA-N 400.473 3.746 0 1 HHAF CCCCN1C(=O)[C@H]2CN(C(=O)Nc3ccccc3-c3ccccc3)CCN2C1=O 72176487 DMIXIZRPUSPXMM-HXUWFJFHSA-N 406.486 3.634 0 1 HHAF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1)N1CCCC1 82139978 JJYOLIWGNOCWQV-UHFFFAOYSA-N 420.444 3.860 0 1 HHAF O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccncc3)cc2)c2ccccc12 84635567 XTBQBHZMXVRFPK-UHFFFAOYSA-N 411.417 3.740 0 1 HHAF COc1ccc(OC[C@H](N)Cc2c[nH]c3ccccc23)c2cc(-c3ncno3)n(C)c12 103224946 UFOSKCLEYOYQCH-OAHLLOKOSA-N 417.469 3.667 0 1 HHAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 104267811 DBVVQIUGVRXLPK-NHCUHLMSSA-N 420.623 3.516 0 1 HHAF Cc1cc(N)nc(C)c1CNC(=O)c1ncn(Cc2ccc(-c3ccccc3)cc2)n1 114079101 KHZULTQYMYJBPY-UHFFFAOYSA-N 412.497 3.517 0 1 HHAF C[C@H]1CC[C@H](Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1 118564599 NBHKKDNCENFLJU-ROUUACIJSA-N 413.481 3.888 0 1 HHAF C[C@@H](Oc1cc(-c2ccc3c(c2)COC(=O)N3)cc2ncccc12)[C@H]1CNC(=O)C1 147815087 OBWXJXCCRUFOHL-CZUORRHYSA-N 403.438 3.867 0 1 HHAF COc1cc(OC)cc(N(C[C@@H]2CO2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 222881519 UHXFZAJAHLALQP-HXUWFJFHSA-N 417.469 3.584 0 1 HHAF C[C@@H](Sc1ncccn1)c1nc2c(I)cnc(Cl)c2[nH]1 586961761 LQBRRIWLSOCUJS-ZCFIWIBFSA-N 417.663 3.859 0 1 HHAF COc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1F 586980110 JELKWSIBHCZSKF-UHFFFAOYSA-N 409.211 3.873 0 1 HHAF O=c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)n1CCOc1ccccc1Cl 587063860 AQQITLJCMWVNBX-UHFFFAOYSA-N 409.829 3.853 0 1 HHAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(O)nc(O)nc2[nH]1 587086444 KKBQXTXGPDPFKT-VOTSOKGWSA-N 417.256 3.795 0 1 HHAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587259867 NUFMZVXPZJWWLC-LBPRGKRZSA-N 408.289 3.971 0 1 HHAF CC(=O)N1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587334973 GGJUACLNFZRPHR-ZJSXRUAMSA-N 417.392 3.679 0 1 HHAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2ncnn12 587343556 CRDLDWMEGXNLQQ-DENIHFKCSA-N 404.401 3.552 0 1 HHAF O=C(O)C[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347151 ANCVGMQTOAOCOQ-GGAORHGYSA-N 408.381 3.966 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)OC)CC2=O 587473974 BINLKQGFMCTBJQ-CJFMBICVSA-N 423.509 3.744 0 1 HHAF CC(C)(O)c1nn2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586204 JGJWIOYOVYFDQT-UGKGYDQZSA-N 416.433 3.970 0 1 HHAF COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591640 DHPPEMXUKSDKPD-NFBKMPQASA-N 406.390 3.647 0 1 HHAF COC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596733 RMMGDYOWLNJQEL-NZQKXSOJSA-N 406.390 3.647 0 1 HHAF COC(=O)c1coc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618294 UCLQUJRXPZVBTF-XXBNENTESA-N 406.390 3.965 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3cocn3)c(=O)c3ccccc23)cc1OCC 587669400 LQYOMUFJBSTRAP-UHFFFAOYSA-N 405.410 3.537 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3ncnc(N)c32)N1 587744268 GRBMZPSELRBHHE-DGIBIBHMSA-N 405.315 3.711 0 1 HHAF Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757155 NJVPYMLXFZXELS-OVWNDWIMSA-N 424.314 3.674 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 587768648 LPDWBSNZUDYPHV-FKIZINRSSA-N 417.278 3.784 0 1 HHAF O=C(Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12)c1ccccc1 653770039 WCSVRVISKLMGQV-UHFFFAOYSA-N 411.425 3.644 0 1 HHAF COC(=O)CN1C=C[C@]2(c3cccc(OC)c31)c1c(F)cccc1C[C@H]1CCCN12 963103867 LWDOKIBCBSKKNZ-OSPHWJPCSA-N 408.473 3.605 0 1 HHAF CC(=O)CC[C@@H]1C(=O)CC[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963178251 JKMANERGBBTAQX-PSZVPEGOSA-N 417.811 3.501 0 1 HHAF CCOC(=O)N1[C@H](O)CC(=C2c3ccc(Cl)cc3CCc3cccnc32)C[C@H]1O 1911573973 COBNLIJYZJNVGX-RTBURBONSA-N 414.889 3.525 0 1 HHAF CC(=O)O[C@@H]1C[C@H]2[C@@H](CN(C)C)C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@@H]1C(C)=O 2356688225 SDLMMRKLTDNPHW-ISBRNDMJSA-N 419.562 3.699 0 1 HHAF Cc1csc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)n1 7000389 CKZJQBWQBJCPNN-UHFFFAOYSA-N 403.458 3.635 0 1 HHAF O=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN[C@@H]1c1c[nH]c2ccccc12 15266900 ZUARLAYXSWWXPU-RBUKOAKNSA-N 409.287 3.914 0 1 HHAF biogenic C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4C[C@]5(C)CN(C)C[C@](C)(C4)C5)[C@@H]3C=C12 16029105 FIPCGZHKEIMIJW-DECDVNGESA-N 400.607 3.964 0 1 HHAF biogenic COC(=O)c1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1ccccc1)O2 26182237 WELGSLXSPOEPNA-NRFANRHFSA-N 409.463 3.994 0 1 HHAF C[C@@H]1c2nc(C(C)(C)C)n(C)c2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 28956812 WQRYRLFGYZCEOY-TZMCWYRMSA-N 422.495 3.541 0 1 HHAF CCCC1=C(C(=O)OCc2ccc(C(=O)O)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 40504692 DNZKFNLBALFHBF-FQEVSTJZSA-N 408.454 3.845 0 1 HHAF CCCn1c(=O)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2n(CCCOC)c1=O 43120462 NJICBKUIUHYQNW-UHFFFAOYSA-N 418.497 3.667 0 1 HHAF Oc1nc(-c2ccc(CCN3CCN(c4cnc5ccccc5n4)CC3)cc2)cs1 98084568 DNDIHGXZQYGHSP-UHFFFAOYSA-N 417.538 3.824 0 1 HHAF C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)cc2)cc1)C(F)(F)F 98208303 XOWBHNIRCZERRH-IBGZPJMESA-N 422.428 3.933 0 1 HHAF in-vitro CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 104267821 DBVVQIUGVRXLPK-LEWJYISDSA-N 420.623 3.516 0 1 HHAF O=C(Nc1cc(Cl)ccc1N1CCC(CO)CC1)c1csc2cncnc12 113653262 RAIGSWRYTFZVQJ-UHFFFAOYSA-N 402.907 3.806 0 1 HHAF CC(C)Nc1nc(-c2ccc(CCN3CCCCC3)cc2)cc2ncn(C)c(=O)c12 115625532 JTUFCCULJNGMSX-UHFFFAOYSA-N 405.546 3.844 0 1 HHAF NC(=O)[C@@H]1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146449046 UNTVEFISGPAOOS-IBGZPJMESA-N 421.570 3.524 0 1 HHAF CN1CC(C(=O)NCc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)=C(O)C1=O 219152691 VPTRKICHVSOICV-UHFFFAOYSA-N 407.253 3.686 0 1 HHAF COc1ccc2oc(C3CN(C(=O)/C=C/c4cnc5c(c4)CCC(=O)N5)C3)c(C)c2c1 299830540 NXVFDAYGCZYJAY-FPYGCLRLSA-N 417.465 3.669 0 1 HHAF COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(CO)no5)cn34)cc2c1 299861386 LAQLQMPHFSEBTN-LBPRGKRZSA-N 419.416 3.724 0 1 HHAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(CO)cc4)nc3c2)cc1 586895654 RRNBYJVKVJYDHX-UHFFFAOYSA-N 409.467 3.532 0 1 HHAF Nc1ncc(-c2nc3cc(Br)ncc3[nH]2)c(-c2ccccc2Cl)n1 587060364 CTYMEFKFSKLICU-UHFFFAOYSA-N 401.655 4.080 0 1 HHAF Cc1cc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125897 VEIIAHRFVINHCL-UHFFFAOYSA-N 417.340 3.637 0 1 HHAF Cc1nc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2cc1Br 587234807 AAXKIIKKKCGLOT-UHFFFAOYSA-N 423.311 3.892 0 1 HHAF C[C@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341114 XVSDZESPZVLOSP-LADGPHEKSA-N 421.424 3.670 0 1 HHAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587360828 WSUZDCSYLQWSNX-GGAORHGYSA-N 406.365 3.800 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N)ccc(N)c21 587468154 BMPACSDVSFNVIO-VWLOTQADSA-N 414.461 3.963 0 1 HHAF CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587768125 CNVYQZBHPUPJHX-JEOXALJRSA-N 407.283 3.958 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(N2CCOCC2)n1 587858879 CKOJPIPAGDHYKQ-UHFFFAOYSA-N 420.300 3.871 0 1 HHAF COc1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(OC)c1O 653861045 GXZHJSKUOGHRTO-CMDGGOBGSA-N 424.541 3.841 0 1 HHAF CCN(CC)CCN1C(=O)[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc21 963113706 ZMVVIGPTHWWFMP-CPJSRVTESA-N 407.533 3.778 0 1 HHAF C[C@@H]1CC(NNc2ccccc2)=C[C@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963227443 PZUAMNCPTLIVMT-KITIHOALSA-N 414.509 3.960 0 1 HHAF Cc1ccoc1C(=O)N1CCCn2nc(C(=O)Nc3ccc(F)cc3Cl)cc2C1 1772623803 YTDLPRZOOIEJQJ-UHFFFAOYSA-N 416.840 3.875 0 1 HHAF N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]nc(N=c4cc[nH]c5ccccc45)c3c2)C1 1857635091 WMTMGJGKUYYPKR-CABCVRRESA-N 400.486 3.733 0 1 HHAF COc1cc(O)c([C@H](O)[C@@H](C)[C@@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC 2356562277 SRXKZHVLEVEYFU-OYMPBJRDSA-N 406.475 3.681 0 1 HHAF O=C(NCCCN1CCCC1=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 2481435 SRMXRSSYCDDDBT-UHFFFAOYSA-N 413.861 3.997 0 1 HHAF C[C@@H]1C[C@H]1Cn1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O 13487680 QIJCIOJDEAVNCZ-PBHICJAKSA-N 412.486 3.776 0 1 HHAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)[C@H](O)C2 27305682 TVMYQBSAKPQDBA-ZILOHOTNSA-N 417.615 3.874 0 1 HHAF COc1cc(O)c2c(=O)cc(-c3ccccc3Cl)oc2c1CN1CCOCC1 28897093 GLFNMAIVEKTHMI-UHFFFAOYSA-N 401.846 3.660 0 1 HHAF COc1ccc2ccc(NCCCN3CCN(c4ccccc4OC)CC3)nc2c1 29135365 OPJNEWMACMCBLC-UHFFFAOYSA-N 406.530 3.876 0 1 HHAF CNC(=O)c1ccc(C(=O)O)c(-c2ccc3c(c2)OC[C@H](Cc2ccccc2)[C@H]3O)c1 29475832 BWPMQAOUOFZKPG-FDDCHVKYSA-N 417.461 3.696 0 1 HHAF CNC(=O)c1cccc(NC(=O)N2CCC(Oc3c(F)cccc3Cl)CC2)c1 40875922 LEJAGJIBHORPCY-UHFFFAOYSA-N 405.857 3.914 0 1 HHAF CC[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cccc2cccnc12 40950529 NQBVKCQRKMKISX-HNNXBMFYSA-N 401.875 3.814 0 1 HHAF Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2 72175979 AOWRNBGAGSLHKJ-UHFFFAOYSA-N 424.508 3.692 0 1 HHAF CN1CCC[C@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@@H]3CCCN3C)ccc1-2 82151217 MPSVSIQCCLCJPT-ROUUACIJSA-N 406.526 3.844 0 1 HHAF CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC[C@H](c2ccccc2)CC1 84726325 IFKJVOINCUWUAV-URXFXBBRSA-N 419.569 3.692 0 1 HHAF CCC(CC)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 89469351 NVBYJWKYQCPLQS-HXUWFJFHSA-N 407.518 3.844 0 1 HHAF COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-c3cc(OC)cc(OC)c3)n2)c1 95595472 FFIUCGJKBPFIIL-UHFFFAOYSA-N 409.442 3.803 0 1 HHAF O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ncccc1F 96273536 NMPCYEQKAHXJKR-UHFFFAOYSA-N 406.369 3.717 0 1 HHAF O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)[C@H](CCc2ccccc2)NC1=O 101140432 MGOWFSPLAUIYQB-FQEVSTJZSA-N 405.498 3.559 0 1 HHAF Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cccs5)nn4C)ccc3[nH]2)n1 115832523 FGNVAXIAYXXQHO-UHFFFAOYSA-N 418.482 3.918 0 1 HHAF COc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143507534 RBZKDKIPCWVWKA-HXUWFJFHSA-N 418.371 3.812 0 1 HHAF CCCCOc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707229 VXRFDMPTVZGFTK-SFHVURJKSA-N 418.497 3.793 0 1 HHAF O=C(Cc1ccccc1)N1CCC([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 205782797 YEBWNEBTTYUFMD-UPVQGACJSA-N 401.510 3.685 0 1 HHAF CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl 261088861 DEECYFGDQIKKNK-MENVHETRSA-N 403.903 3.762 0 1 HHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586921895 HKOGSJNJSDFPRL-UHFFFAOYSA-N 419.375 3.996 0 1 HHAF COC(=O)c1cccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c12 586979789 BIPVKKZCBOJHKV-UHFFFAOYSA-N 419.231 3.512 0 1 HHAF OCCc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002692 YKXFJNPUNXSXMU-RQOWECAXSA-N 401.260 3.802 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@H]2CCCO[C@@H]2C1(C)C 587239957 PKKAMNPPZXBJAA-KKYRWEBSSA-N 415.490 3.847 0 1 HHAF O=C(c1cnn(Cc2ccccc2)c1)c1c(CO)oc2cc(Br)cnc12 587276325 MGISKAJUAHLUDL-UHFFFAOYSA-N 412.243 3.558 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350618 RWBWCVUNZCDZOO-SIKLNZKXSA-N 400.402 3.561 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)O2 587396908 WVQLIZSGQTXQHQ-XAEMIUIASA-N 416.518 3.717 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCC[C@H]1C(=O)O)(C(C)(C)CC)CC2=O 587485020 HYEDPGGWOYJYBC-HJPURHCSSA-N 417.502 3.561 0 1 HHAF Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587552145 NVXFSCUQPPUXQP-ABAIWWIYSA-N 404.209 3.774 0 1 HHAF O=C(c1cn2cc(F)ccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655379 DWWWXCNHNPBDGK-UHFFFAOYSA-N 420.350 3.817 0 1 HHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587786535 REOFUTCXMYXACH-QWHCGFSZSA-N 419.222 3.506 0 1 HHAF COc1cc(C)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587799086 WDECHYQQDMXTLW-DGIBIBHMSA-N 405.267 3.635 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2c[nH]nc2N)N1 587851191 HMPZJYNMHQGJGY-XLFHBGCDSA-N 407.312 3.781 0 1 HHAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(C)c1OC 962640708 XBEAZOLBQYJWOF-SUMWQHHRSA-N 411.376 3.599 0 1 HHAF CC1(C)OC[C@H]([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)N1C(=O)O 962954688 JLKJNMLXEAYKLM-ZBFHGGJFSA-N 414.424 3.513 0 1 HHAF OC(O)(C1=COc2ccccc2[C@]12c1ccc(F)cc1C[C@@H]1CCCN12)C(F)(F)F 963108357 OUAHAWCZQIOUOZ-MGPUTAFESA-N 421.390 3.609 0 1 HHAF Cn1c(Cc2ccccc2C(F)(F)F)nc(C(=O)CCc2ccccc2)c(O)c1=O 1857771146 JBQKBTJWADQLBW-UHFFFAOYSA-N 416.399 3.911 0 1 HHAF C[C@]1(O)CCN(Cc2ccncc2)[C@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356754648 IKFYJZJOCLACAH-OYRHQHFDSA-N 419.500 3.717 0 1 HHAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 61920941 MFYHHOMBVUKJFU-LJQANCHMSA-N 415.578 3.537 0 3 HHAF Oc1ccc(CN2CCN(Cc3ccc(O)c4ncccc34)CC2)c2cccnc12 23468648 DOVAIILGKBUWDI-UHFFFAOYSA-N 400.482 3.512 0 1 HHAF COc1cccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)c1 29133335 ZQVGPQMOIOLUQX-UHFFFAOYSA-N 417.440 3.523 0 1 HHAF Cc1nc(-c2ccccn2)nc(NCCc2ccc(S(C)(=O)=O)cc2)c1Cl 40407872 UYLYXPZYFFLBLV-UHFFFAOYSA-N 402.907 3.559 0 1 HHAF CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCC(CO)CC4)ccc3c2)CC1 43014154 UODYOJDBMQMAHX-UHFFFAOYSA-N 410.558 3.936 0 1 HHAF CCCCNc1nc(N2CCN(c3ccccn3)CC2)nc2cc(OC)c(OC)cc12 82129756 GJENRENQUQYKKO-UHFFFAOYSA-N 422.533 3.581 0 1 HHAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCCCC3)nc12 95588816 FFCCHKOEOAVWSD-UHFFFAOYSA-N 419.547 3.935 0 1 HHAF Clc1ccc2c(NCCCCN[C@H](c3ccccc3)c3nnn[nH]3)ccnc2c1 103230552 CHNMFPHCNDESAZ-HXUWFJFHSA-N 407.909 3.973 0 1 HHAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 113223025 MSSDMKJGEPOJRU-YLJYHZDGSA-N 412.493 3.652 0 1 HHAF COC(=O)/C=C\c1ccc(C[C@H](C)NC[C@H](O)c2cccc(Br)c2)cc1 200798056 QQCCCVUOYPSEDK-CGXXKNBTSA-N 418.331 3.890 0 1 HHAF O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(O[C@@H]2CC=C(Cl)CC2)cc1F 225249942 XILALDGHJFJALS-SNVBAGLBSA-N 408.278 3.755 0 1 HHAF NS(=O)(=O)Cc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 586930313 PIJRDMYAJAWDBH-UHFFFAOYSA-N 405.785 3.570 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3[nH]nc(OCC)c3Cl)nc2c1 587064881 IGNSDEBUNQCECV-UHFFFAOYSA-N 413.659 3.944 0 1 HHAF O=C1C[C@@H](c2nc3cc(Br)cnc3[nH]2)CN1Cc1ccc(F)cc1F 587148627 JBHAWYVUFGIVKI-SNVBAGLBSA-N 407.218 3.515 0 1 HHAF CN[C@H](c1cccnc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587223690 PMHQSAXPGCULMA-CYBMUJFWSA-N 401.186 3.928 0 1 HHAF O=C(O)c1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347455 AXPPBYVBAXIFNQ-CVDCTZTESA-N 422.364 3.569 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C[C@H](C(=O)O)CC3=O)c1)CC2=O 587474054 CKXHWPHOGDSXCO-SHACYNPGSA-N 423.465 3.663 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OCCOC)OCO3)CC2=O 587485669 JMSDDEMQUHYGJH-IBGZPJMESA-N 400.427 3.805 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C 587489001 AEIBXLPXMSNFCY-OBVPDXSSSA-N 408.516 3.763 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587490049 QENITKXIELWYKN-DPVYHKBMSA-N 400.471 3.775 0 1 HHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1Cc1cc3c(O)nc(O)nc3nc12 587560758 JXVKZKKGIUYWHE-AVISVJKYSA-N 409.530 3.853 0 1 HHAF CC(C)(C)C(=O)N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576858 INIXMOWQMMHAFD-SIKLNZKXSA-N 418.449 3.897 0 1 HHAF CSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614218 RIBRJDXMHJTIDQ-AVRDEDQJSA-N 405.431 3.923 0 1 HHAF CCOC(=O)[C@@H]1CCSCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619182 RDYSAGPDVLTZCK-VPKVUBIPSA-N 414.479 3.799 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2F)N1 587723696 BRUKBQPELKGXOU-XLFHBGCDSA-N 416.287 3.754 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C2CCOCC2)N1 587755112 OESPBSBMEDQMLF-CWTRNNRKSA-N 408.315 3.526 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 587801610 HCCVRHFEWDCNKU-OVWNDWIMSA-N 403.251 3.932 0 1 HHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805453 FKWGRVVHYIFXFG-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(C)c1Br 587869462 KJNWTZZXHPQKEL-UHFFFAOYSA-N 407.243 3.581 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CC 587872016 GUPBFYBTUGLOND-UHFFFAOYSA-N 407.449 3.819 0 1 HHAF CCN(c1ccc(-c2csc([C@@H](C)Cn3ccc(C)n3)n2)cc1)S(C)(=O)=O 587922304 BFFWEZSVSJVHNZ-AWEZNQCLSA-N 404.561 3.905 0 1 HHAF O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O)N1CCc2ccccc21 653669344 ARUCEZREJLJFDT-UHFFFAOYSA-N 414.461 3.894 0 1 HHAF Cc1nc2cc([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)ccn2c1C 962676836 ZZBSKXUHUULFRN-ZJSXRUAMSA-N 400.482 3.687 0 1 HHAF Cc1c2c(nn1C)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)N[C@H](C(=O)O)C2 962704900 DRPOACPGIPDTPD-SFHVURJKSA-N 416.308 3.926 0 1 HHAF CCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1 1857562008 BUHJLSMTUCQODW-UHFFFAOYSA-N 421.545 3.893 0 1 HHAF COc1cc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2C(C)=O)cc(OC)c1OC 1857578059 HUUAUHIARRYJMD-GOSISDBHSA-N 422.437 3.516 0 1 HHAF COc1cc([C@]2(O)CSC(=S)N2Cc2ccc(F)cc2)cc(OC)c1OC 1857595068 KVILLKYZSFAMIY-LJQANCHMSA-N 409.504 3.531 0 1 HHAF CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@H]2C 2356307740 OTQUMHRUQDURIR-ISMYDWCBSA-N 412.577 3.548 0 1 HHAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@H]12)C(=O)O[C@H]3O 2356622244 BUXFGRWORDRRTK-UQGKPAQOSA-N 412.482 3.581 0 1 HHAF Cc1c([C@@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)CCCO)oc(=O)c1C2 36389233 YKTVPJPRINESLJ-AGIUHOORSA-N 418.486 3.657 0 3 HHAF O=C(NC1CCCC1)[C@@H](c1ccco1)N1CCN(c2c(Cl)cncc2Cl)CC1 95568745 CUYNMJUZEXAHTK-LJQANCHMSA-N 423.344 3.904 0 3 HHAF Cc1cnc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2ccncc2)cn1 199235870 OOVVRNIRBORWKS-FQEVSTJZSA-N 400.486 3.701 0 3 HHAF COc1ccc(N[C@H]2C(c3ccc(OC)cc3)=Nc3ccccc3-n3nnnc32)cc1 206052600 HCXQSBBTSKGWLW-QFIPXVFZSA-N 412.453 3.967 0 3 HHAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC 4055634 YYYHEIFADCMQDH-AZUAARDMSA-N 402.878 3.593 0 1 HHAF CCOC(=O)N(Cc1ccccc1)CC(O)CN(Cc1ccccc1)C(=O)OCC 6385707 VYBLWTDMBYNZCN-UHFFFAOYSA-N 414.502 3.665 0 1 HHAF Cc1ccc(CNC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)o1 6916521 LCZVUSLEMRPSDD-QGZVFWFLSA-N 404.470 3.583 0 1 HHAF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](O)C2 13728255 WHOYCZAZHQFDDJ-LEDOBFOHSA-N 401.572 3.564 0 1 HHAF CCOCC[C@@]1(Oc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)NC(=O)N=C1O 28975560 QFTOVLPHYNPHCP-UHFFFAOYSA-N 418.833 3.883 0 1 HHAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1 43772555 KIQXRQVVYTYYAZ-AXDLDQBJSA-N 410.457 3.816 0 1 HHAF in-man CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2csc(CC)n2)C1 82069516 ZPQXONQOCZOUAJ-GOSISDBHSA-N 422.639 3.576 0 1 HHAF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1)N1CCOCC1 82132862 XJPCZZZCYWIAMK-UHFFFAOYSA-N 422.916 3.924 0 1 HHAF CCOc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1 84652401 YCQKRBFSXKZYOU-UHFFFAOYSA-N 409.471 3.597 0 1 HHAF COc1ccc(C(C)=O)cc1CSc1nc2cc(C(C)=O)ccc2n1CC(=O)O 84669548 DDQVZDDZGLJACJ-UHFFFAOYSA-N 412.467 3.827 0 1 HHAF CCCC[C@@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCO[N+](=O)[O-])c3)ccc21 95602875 HGWGOHFHEBRKMB-IBGZPJMESA-N 414.414 3.928 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 100646740 LLAHJYBITWOMNU-BXXSPATCSA-N 407.510 3.871 0 1 HHAF Nc1nc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cs1 224710489 RBSARQPHDJWIBM-UHFFFAOYSA-N 403.504 3.983 0 1 HHAF c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N[C@H]3C[C@H]4CC[C@H]3C4)c2[nH]1 253669683 TYCRGJHWMDJLCO-MPGHIAIKSA-N 405.506 3.534 0 1 HHAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 586919891 AFQLPKNIRUVNIG-UHFFFAOYSA-N 415.696 3.961 0 1 HHAF Cc1ccnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 586954235 FFBYFXRHWIZALD-UHFFFAOYSA-N 406.511 3.988 0 1 HHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587039565 GPTWQIGYPWUMSE-QMMMGPOBSA-N 403.277 3.842 0 1 HHAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccc(F)cc1 587170937 VETJYERDBVVQOK-QGZVFWFLSA-N 416.865 3.818 0 1 HHAF COc1cc2c3c(c1)O[C@@]1([C@H]4CC[C@H]1N(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O 587436625 SJMGAKKZTDSXGO-LXBLAULMSA-N 405.450 3.612 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(N)c2N 587473349 SIGKVTWNASOXJD-RUZDIDTESA-N 414.461 3.963 0 1 HHAF Nc1ncc(I)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506961 PGGABBSVKFSPHN-MRXNPFEDSA-N 420.250 3.854 0 1 HHAF NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587574447 AXQOAYABXCCEOU-XUZZJYLKSA-N 414.417 3.535 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587584167 WZHGDWPYSWEQDR-HLLQZAQXSA-N 411.454 3.979 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C(F)(F)F)CC2)N1 587710382 SCALTMFKSOAATB-VIFPVBQESA-N 409.221 3.502 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccn(C)n2)(C(F)F)N1 587715609 CDSQEHTWDPHNNP-XLFHBGCDSA-N 416.241 3.589 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 587719608 LHTHVLAOQWNISV-SREIQFSDSA-N 408.193 3.670 0 1 HHAF COc1cc(N)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587749379 PBNVQUOJNHCHSD-APBUJDDRSA-N 409.299 3.985 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3Cc4ccccc4N[C@@H]32)N1 587791276 KZBZNRRIELRCLX-CFGAKRJMSA-N 402.311 3.975 0 1 HHAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O 587792913 LVMUWOBIACKSAG-OVWNDWIMSA-N 424.266 3.684 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-n2cccn2)nn1 587866078 DSYGKSYXZVPEHQ-UHFFFAOYSA-N 400.364 3.933 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2ccc(C)cc2n1 587869756 NUQFXRIURUBWMR-UHFFFAOYSA-N 401.348 3.617 0 1 HHAF CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2)NCCc2cc(C)c(F)cc21 962145850 MTYBNELNERZGHQ-QHCPKHFHSA-N 401.478 3.884 0 1 HHAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962935151 YXQVWAJYKHMYJO-OAQYLSRUSA-N 405.498 3.590 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@]23NCCc2nc4ccccn4c23)cc1 962987508 MXXQBAUFAVUSPF-RPBOFIJWSA-N 411.461 3.701 0 1 HHAF CC(C)CN1CCC[C@@H](O)[C@@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 2356848983 PKHBNGYRFBALDZ-XZOQPEGZSA-N 414.521 3.616 0 1 HHAF CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)c3cccc(-n4cnnc4)c3)C2)cc1 12448683 DDLQSHGVCAUKIP-HSZRJFAPSA-N 417.557 3.860 0 3 HHAF CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1 95571568 QLMGKCVXUZJFSS-UHFFFAOYSA-N 424.423 3.788 0 3 HHAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOCCO 4213617 CUQSYUBATGNLIW-RBUKOAKNSA-N 414.905 3.618 0 1 HHAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)[C@H]1c1c[nH]c2ccccc12 4922117 OIAFANMNBMBJDZ-FGZHOGPDSA-N 405.498 3.620 0 1 HHAF O[C@H](CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccccc12 13491139 KPJPDPHSTNUEQY-HXUWFJFHSA-N 410.539 3.918 0 1 HHAF O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(=O)c1ccccc1 13743439 LETVJFAXVOISGS-UHFFFAOYSA-N 421.472 3.977 0 1 HHAF COCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 26491844 BFUXHQZRBIKVED-UHFFFAOYSA-N 419.522 3.571 0 1 HHAF CC[C@@]1(C(C)C)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26498648 OHMOSQLGSKBINV-JTHBVZDNSA-N 410.470 3.894 0 1 HHAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H](O)[C@@H](C)[C@@H](C)C3)OCO2 33831494 HOPDFAWBFXSPSA-FHGNATFXSA-N 400.427 3.690 0 1 HHAF biogenic,in-vitro CCCOc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)ncc2Cl)n[nH]1 40863593 HXWRBPYVHAJBQF-AWEZNQCLSA-N 406.849 3.670 0 1 HHAF CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4cccs4)n3)C2)c2ncccc21 71318508 JUJZRLWKNXLVPN-HNNXBMFYSA-N 406.515 3.578 0 1 HHAF O=C(OCc1cc(=O)c(O)co1)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 84758450 XONBCLXWOAKELS-UHFFFAOYSA-N 412.438 3.581 0 1 HHAF COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169041427 PPBAFHRXACXAFW-PUZFROQSSA-N 400.563 3.512 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C(C)C)c3F)C2)cc1 169709348 DMTIBOPQVDPQJM-OXJNMPFZSA-N 414.525 3.920 0 1 HHAF CNC(=O)[C@@H]1C(C)=C2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1 169720520 FYDWBCULRFNKGS-GUDVDZBRSA-N 405.523 3.661 0 1 HHAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCCN4CCNCC4)cc3)cc12 205302929 NGSWNDMVAWOGHF-UHFFFAOYSA-N 413.905 3.861 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NC4CCCC4)n3)C2)cc1 261162420 RCXYFBLWPIZEBM-HRAATJIYSA-N 409.534 3.686 0 1 HHAF Cc1ccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)nc1 473162627 GHFKLGMHIXCGAE-MBOZVWFJSA-N 404.470 3.821 0 1 HHAF CC1=C(c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)NNC(=O)C1 587109912 WURRBGKGBKMJRF-UHFFFAOYSA-N 416.359 3.702 0 1 HHAF O=C(Nc1cccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1)c1ccc(F)cc1 587164632 YGDKAILXBVWQSG-UHFFFAOYSA-N 411.414 3.868 0 1 HHAF Cn1ccnc1[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340442 HRPWWAMIHBJAOH-XUZZJYLKSA-N 422.456 3.946 0 1 HHAF C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccc2c(O)nc(O)nc2n1 587562775 KLPKRUSXJGAGFF-LLVKDONJSA-N 405.410 3.561 0 1 HHAF C[C@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567777 CCIIPSRRRNUJFI-ZJSXRUAMSA-N 421.424 3.958 0 1 HHAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC 587587597 NJMOLXMBKLBKBF-XLIONFOSSA-N 409.394 3.516 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N1CCc3cccc2c31 587590986 TZUJCJAELNAOQQ-SQJMNOBHSA-N 413.429 3.932 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1OCCO2 587607506 HKSPZLBYYNVIET-DENIHFKCSA-N 406.390 3.875 0 1 HHAF O=C1OCC[C@@H]1Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587609610 OHMJPJVGYJEOJK-JTAQYXEDSA-N 418.401 3.789 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 587789205 BJIKIVFYUZWLSU-LAOHPYGUSA-N 419.294 3.568 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccco2)[nH]n1 587869142 CNVAQXYADYSEQB-UHFFFAOYSA-N 403.320 3.644 0 1 HHAF CC(=O)Nc1ccc(-c2ncnc3c2cc(C(=O)OCc2ccccc2)n3C)cc1 653847556 WYIKAQNEFKSBPR-UHFFFAOYSA-N 400.438 3.951 0 1 HHAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(C)nc1)N(C(=O)c1ccccc1N)CC2 963147356 BXBMWPPIHZTUEW-RUZDIDTESA-N 417.509 3.951 0 1 HHAF O=C1CCc2ccc(OCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1 1772598470 IYGLBUNIEKVQSZ-UHFFFAOYSA-N 407.558 3.938 0 1 HHAF O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(O)c2cccc(O)c2n1 1857655738 AZLXAYYWUXDYQA-UHFFFAOYSA-N 405.498 3.678 0 1 HHAF CC(C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C[C@@H](C)CCCCCCO 2356431037 ZQYJKIOOBBBACO-UWJYYQICSA-N 403.519 3.586 0 1 HHAF COc1cc(CCCN2C(S)=NC[C@@H]2Cc2ccccc2)cc(OC)c1OC 15952984 FUWNZQHVQHJGKG-SFHVURJKSA-N 400.544 3.858 0 3 HHAF O=C(c1ccncc1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 61969728 QXWAOPXXBNRISE-FQEVSTJZSA-N 418.463 3.527 0 3 HHAF COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 1654634 WZXGHJPWPNTBTF-LAUBAEHRSA-N 403.434 3.839 0 1 HHAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NC1CCN(Cc2ccccc2)CC1 20465496 BTLDWTJCWJSXFI-UHFFFAOYSA-N 409.555 3.722 0 1 HHAF O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1c1cccc(F)c1 27988519 FFXNDHBRQJUBKU-UHFFFAOYSA-N 407.489 3.748 0 1 HHAF O=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cccnc21 45318213 XUCUTXVLHKCSAF-UHFFFAOYSA-N 418.428 3.872 0 1 HHAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(OC)c3)cc21 72114506 IRUKUCCIVWCSLV-GOSISDBHSA-N 411.454 3.525 0 1 HHAF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 82140450 LBIVLGQWQCEMOS-IYBDPMFKSA-N 400.498 3.849 0 1 HHAF COc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CC[C@@H]2CCCN2C)cc1 82179873 HWLHTFCZOCOKJQ-SFHVURJKSA-N 406.534 3.808 0 1 HHAF NS(=O)(=O)Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 84635969 RXIQXHCBHUYPPK-UHFFFAOYSA-N 407.801 3.791 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@H](N)CC2 88260909 JFSJPPGMGSZPNT-DHIUTWEWSA-N 418.578 3.688 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N)CC2 88260911 JFSJPPGMGSZPNT-PKTZIBPZSA-N 418.578 3.688 0 1 HHAF O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCc1ccccc1 95576354 RRVFLTQRZWNEAI-UHFFFAOYSA-N 408.527 3.749 0 1 HHAF CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccnc4)cc3)cc2S1(=O)=O 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DQMJQLULNMHHKK-IBGZPJMESA-N 415.449 3.878 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)nc3[nH]2)CCC(=O)CC1 587235802 UQEXSTZZOGNYNJ-UHFFFAOYSA-N 409.284 3.584 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CO)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238304 BTGMHWVBQWAKJK-ORHBMQHOSA-N 401.507 3.610 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Cl)c(Br)cc21 587371320 KHUJIECAEPKVFF-QGZVFWFLSA-N 407.651 3.806 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(cc1C)N(C(=O)C(C)(C)C)CCO3)O2 587401683 WHDAKNQXQMLODU-SFHVURJKSA-N 409.486 3.759 0 1 HHAF CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430937 ICTXUGMDDLUGBA-ZHRRBRCNSA-N 404.422 3.546 0 1 HHAF C[C@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526473 POGYSLJRFHGHEW-PUAOIOHZSA-N 422.525 3.619 0 1 HHAF Cn1c(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549895 YTDHOHZGZVOXMN-YOEHRIQHSA-N 401.216 3.591 0 1 HHAF COc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595398 NKIQRCJWQUJRIA-NFBKMPQASA-N 422.389 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O=C(CN1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCCCC1 22940472 GARYYLNNWQOSNP-SANMLTNESA-N 406.570 3.841 0 1 HHAF Cc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2COCc2ccc(O)cc2)c1 28127033 RFAYXZXEMJOBCH-UHFFFAOYSA-N 408.498 3.748 0 1 HHAF CCN(CC)C(=O)NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72101715 HLDLJJIOVPEGIZ-HXUWFJFHSA-N 419.932 3.874 0 1 HHAF COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 82071737 QPLKIRWMCTYWTN-IBGZPJMESA-N 410.495 3.855 0 1 HHAF COCCCNC(=O)c1cnc(NCCOC)nc1-c1ccc(-c2ccccc2)cc1 82159618 TZCJPKUEINNQGC-UHFFFAOYSA-N 420.513 3.635 0 1 HHAF Fc1ccccc1CCNc1ncnc2c1nc(-c1cccnc1)n2C[C@@H]1CCCO1 82180714 RSCUQONILNHAJD-SFHVURJKSA-N 418.476 3.861 0 1 HHAF COc1ccc(-c2nn3c(CCC(=O)c4nc5ccccc5[nH]4)nnc3s2)cc1 95589013 BDDUIEZRHQTDLS-UHFFFAOYSA-N 404.455 3.553 0 1 HHAF CCCN1C(=O)C(C[C@H](C)[C@H]2NCCc3c2[nH]c2ccccc32)C(=O)N(CCC)C1=O 103017503 ODYWGEOYZWHBHN-MGPUTAFESA-N 424.545 3.608 0 1 HHAF CCN1CCN(CCCn2nc(-c3ccccc3)cc(Cc3ccccc3)c2=O)CC1 103217859 DFKSAZSYZOAJKY-UHFFFAOYSA-N 416.569 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CC1=C(c2ccc3[nH]c(-c4cc(-c5ccc(F)c(F)c5)nn4C)nc3c2)NNC(=O)C1 587148073 FPDAJBQMBKOTPL-UHFFFAOYSA-N 420.423 3.664 0 1 HHAF C[C@@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C=C(c2ccccc2F)NO1 587158259 VZPUNUHVABQWPO-QFIPXVFZSA-N 418.432 3.552 0 1 HHAF Cn1c2c(ccc1=O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341140 VJBAWBBGNWRGSL-LADGPHEKSA-N 405.425 3.821 0 1 HHAF CCOC(=O)C[C@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346214 IAFMEAYQYIMBLI-IRLDBZIGSA-N 402.418 3.619 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O 587348066 CEYVIXBPUDQSSP-KVOAMPFWSA-N 424.424 3.719 0 1 HHAF CCc1cc2c(O)nc(O)nc2nc1-c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 587365062 ANCNRZCNFOLRBO-UHFFFAOYSA-N 401.637 3.546 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 587386449 JEERGMZDRWBYFL-JXFKEZNVSA-N 411.502 3.690 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccccn4)cc1)[C@@H](C2)C3=O 587432043 JPISCDOVOJDDMW-UUOWRZLLSA-N 416.433 3.596 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C(C)=O)CC3)cc1)CC2=O 587473994 DOZHMYQNCZPKFS-QHCPKHFHSA-N 408.498 3.720 0 1 HHAF CC1(C)OC(=O)C([C@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 587535687 NBHGWMVJVZEHAI-XMMPIXPASA-N 412.482 3.912 0 1 HHAF Nc1ncc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543784 JKGNVBFCDRJBKU-QAPCUYQASA-N 413.227 3.835 0 1 HHAF C[C@@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619963 WENBCPFFCJNQEF-GCJKJVERSA-N 409.463 3.986 0 1 HHAF O=c1[nH]c2ccccc2nc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656173 GYPQFUBYZZGKCN-UHFFFAOYSA-N 402.360 3.567 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749024 ZPALDTIPASEUNM-WAMMUTHRSA-N 421.310 3.787 0 1 HHAF CCOC(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587771699 CJWZWIGLLVBWHV-BUXKBTBVSA-N 407.283 3.714 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587789274 BZPIIPFBDZFRBA-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF 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VFTDNPJBQZEZGN-IRLDBZIGSA-N 400.427 3.807 0 1 HHAF C[C@@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61926583 BCZRVBPYQNVZPO-QHCPKHFHSA-N 421.884 3.511 0 3 HHAF COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)CC1 169340869 WBAILAAMWHNMAW-UHFFFAOYSA-N 410.356 3.912 0 3 HHAF COC(=O)N[C@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccc(Cl)cc1 7992370 DGZVFGGEVUBXGN-BSKAQADGSA-N 402.878 3.974 0 1 HHAF CC1(C)C(=O)c2ccc(Br)cc2[C@@H](N2Cc3ccccc3C2=O)[C@@H]1O 13832187 ZYSQGZQAPTXOEJ-AEFFLSMTSA-N 400.272 3.730 0 1 HHAF CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1 13864453 RUTWUYYXKRJIPS-UHFFFAOYSA-N 416.499 3.628 0 1 HHAF COc1ccc(C2=NN(Cc3ccc(C(=O)O)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26507163 PVWGPCPZYAEPPN-RTBURBONSA-N 422.481 3.955 0 1 HHAF O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@H](c1ccccc1)C1CC=CC1 28818654 VZNOZNWGKXJBIT-RUZDIDTESA-N 417.553 3.871 0 1 HHAF CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@H]1CC(=O)N1CCCCC1 43076104 OAQRTYPSBVKMCX-HXUWFJFHSA-N 420.509 3.966 0 1 HHAF COc1cc(C(=O)c2ccc(-c3cncs3)cc2-n2cncn2)cc(OC)c1OC 64553833 YKNUSVBXEURFFO-UHFFFAOYSA-N 422.466 3.648 0 1 HHAF Cc1cc(F)cc(C)c1N1CCN(Cc2ccc(F)cc2C(F)(F)F)C(=O)C1=O 68247215 LELSZNPIBYBSAI-UHFFFAOYSA-N 412.358 3.976 0 1 HHAF CC(=O)Oc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cc1 72127769 IVLKWONLJUWBAE-UHFFFAOYSA-N 424.400 3.887 0 1 HHAF O=C(CNC(=S)Nc1ccccc1)N1CCC(c2noc3cc(F)ccc23)CC1 95596277 TZUFJSIDMNZQSK-UHFFFAOYSA-N 412.490 3.660 0 1 HHAF Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)n1 96900527 RZIJMFBERNFJML-UHFFFAOYSA-N 421.633 3.895 0 1 HHAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@@H]32)cc1 98084649 MMAVPPVRNUUMCW-WIOPSUGQSA-N 409.493 3.930 0 1 HHAF O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 103254476 VIWGHBNGJGMYAO-QUWSVYMGSA-N 414.456 3.939 0 1 HHAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 110651288 XNZBXPCHRMKLKI-SJORKVTESA-N 423.494 3.893 0 1 HHAF C[C@@H]1CCC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 118687372 KUQPGEGIXJVINV-IAGOWNOFSA-N 409.465 3.511 0 1 HHAF COc1cc2c(cc1O)C[C@@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C 139752053 ORZPHDSNVICTTE-GFCCVEGCSA-N 406.276 3.630 0 1 HHAF in-vitro O=C(Nc1ccc(C(=O)N2CCCC3(CCNCC3)C2)cc1)N1Cc2ccccc2C1 166981188 XBAMIEQYHIGRBG-UHFFFAOYSA-N 418.541 3.840 0 1 HHAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4cc5cc(F)ccc5[nH]4)ccc1c23 169306586 SCLDISKZJONBTM-UHFFFAOYSA-N 423.469 3.919 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CCS(=O)(=O)C3)nn2-c2ccccc2)c1 169707237 KLKVBEDNQAMUSH-IBGZPJMESA-N 423.538 3.865 0 1 HHAF CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(=O)NC1CCCC1 213420761 WVUNKWULDOXHJH-GHTZIAJQSA-N 416.562 3.690 0 1 HHAF COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(F)cc3)nn2)CC1 299818697 AJNIRLYKPAIXJT-UHFFFAOYSA-N 409.509 3.560 0 1 HHAF CN1CCC(NC(=O)c2ccc(Nc3ncc(F)c(NC4CCCC4)n3)cc2)CC1 299866097 VFPKOFASKHSMIU-UHFFFAOYSA-N 412.513 3.538 0 1 HHAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299881077 NIXOJNSXYSKLMI-ORPRQENYSA-N 403.885 3.637 0 1 HHAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(O)ncnc4[nH]3)c(Cl)cc12 587078645 YFPLNRNRUCXNLH-VIFPVBQESA-N 400.822 3.911 0 1 HHAF Cc1c(Br)cnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587148223 GTBFNSAZANUXDU-LLVKDONJSA-N 421.245 3.823 0 1 HHAF Fc1cc2c(c(Cc3nc4cccc(I)c4[nH]3)c1)OCOC2 587170842 FTFPBIRNDCKJNZ-UHFFFAOYSA-N 410.186 3.764 0 1 HHAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587203767 MCIXPIIWUSLCOZ-KRWDZBQOSA-N 421.526 3.918 0 1 HHAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(C2CC2)n1 587230709 XVJRSVNNFKGXQW-UHFFFAOYSA-N 400.870 3.970 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 587409266 LASJLZWRVFWETH-QFIPXVFZSA-N 414.527 3.632 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C2)C3=O 587418520 IQVOAFOQZMEJRS-LHSJRXKWSA-N 401.846 3.892 0 1 HHAF Nc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538360 ADTJUIICKZOEKB-DNVCBOLYSA-N 413.227 3.835 0 1 HHAF Cn1nc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539617 FTCSTSXDYGEVBC-QAPCUYQASA-N 401.216 3.591 0 1 HHAF CCOC(=O)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570092 KGSIKBXDIVJEBC-AUSIDOKSSA-N 408.381 3.952 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1O 587589852 AWRQEQAQKJQWHD-REWPJTCUSA-N 408.406 3.992 0 1 HHAF C[C@@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590915 DENQWWNJMFTSHL-URXFXBBRSA-N 418.449 3.501 0 1 HHAF CNC(=C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC 587744096 QQIZZHQRELIIJT-LHSJRXKWSA-N 418.354 3.955 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811917 XWCVMQDPRAJWEH-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF COc1ccccc1[C@@]1(c2ccccc2CN2CCCC2)c2nn(C)cc2CCN1C 963954404 JIOSQIMPWJYIKB-SANMLTNESA-N 416.569 3.804 0 1 HHAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cnccn2)CC1 1772589672 IKJGVLHQJMBYIT-WKILWMFISA-N 417.437 3.798 0 1 HHAF COc1ccc(N(CCO)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857578531 WWDCNIOBXHRWEN-UHFFFAOYSA-N 413.470 3.536 0 1 HHAF COc1cc(C(=O)c2cnn(-c3ccccc3Br)c2)cc(OC)c1OC 1857765814 AZXPWNZKWDAAOM-UHFFFAOYSA-N 417.259 3.892 0 1 HHAF CCOC(=O)c1ncn2c(=NCc3ccccc3OC)[nH]cc(-c3ccccc3)c12 1911586489 MYFASGJBSVCXHC-UHFFFAOYSA-N 402.454 3.616 0 1 HHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1[C@H](OC)O2)C=CC(C)(C)O4 2356657659 PJHSNMSFYNPHLP-UEVCKROQSA-N 424.449 3.980 0 1 HHAF C[C@H](O)C=C[C@](C)(O)[C@@H]1CC[C@@H]2C=C([C@@H]3CC[C@@H]4C(=O)C[C@@H](O)CC=C43)C[C@@]21C 2356725355 MCYUJBHXAJEPHI-OECWTEGUSA-N 400.559 3.713 0 1 HHAF COc1c(C)c2c(c(O)c1CC=C(C)CCC[C@H](C)[C@@H](O)CC(=O)O)C(=O)OC2 2356852578 QRDKDYUDGPKLKF-GUYCJALGSA-N 406.475 3.510 0 1 HHAF COc1cc(C)ccc1OCc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)no1 12076182 HKEMNVGGDDOBDG-GOSISDBHSA-N 421.375 3.999 0 3 HHAF COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F 13759857 HINMFTUIHCBZCY-UHFFFAOYSA-N 402.264 3.660 0 1 HHAF in-vivo CCCN(CC1CC1)c1cc([C@H](O)c2c(OC)cc(OC)cc2OC)nc(C)n1 28367429 RNEULLCPTNYVHQ-QFIPXVFZSA-N 401.507 3.519 0 1 HHAF COc1ccc(CN2c3cc(OC)ccc3N(C)S(=O)(=O)c3cccnc32)cc1 28637638 YVSUSMNLDDRDMP-UHFFFAOYSA-N 411.483 3.576 0 1 HHAF CNc1nnc(-c2cn3ncnc(Nc4cnc5[nH]c(C)cc5c4)c3c2C(C)C)o1 29047289 RFENYOLLCXWBKT-UHFFFAOYSA-N 403.450 3.873 0 1 HHAF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Br 40917267 FGUKVEHZMNJKPK-UHFFFAOYSA-N 420.263 3.731 0 1 HHAF COC(=O)[C@@H]1[C@H](c2ccc(Cl)c(I)c2)C[C@H]2CC[C@H]1N2C 101024783 BPVNLZVHXOKPAU-BAESOJJISA-N 419.690 3.684 0 1 HHAF O=C(Nc1noc2ccccc12)N1C[C@H]2C[C@H]1CN2c1nc(-c2ccccc2)ns1 101659682 DRKWHSZFWNHTMH-LSDHHAIUSA-N 418.482 3.841 0 1 HHAF CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(N3CC[C@H](c4ccccc4)C3)c2)C(=N)N1 148354430 HIOQLVRQFFMPPQ-RDPSFJRHSA-N 405.546 3.747 0 1 HHAF C[C@@](O)(CN(Cc1ccco1)S(C)(=O)=O)Cn1c2ccccc2c2ccccc21 148611531 VWHXOSHMRVAMFT-JOCHJYFZSA-N 412.511 3.600 0 1 HHAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3ccccc3)ccc1-2 209697483 DTXHMKXGUACENM-FQEVSTJZSA-N 404.466 3.603 0 1 HHAF COc1ccc(F)cc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220207122 HOQGUPIDKRMGMW-UHFFFAOYSA-N 421.475 3.622 0 1 HHAF Cc1cc(F)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 586941991 AHGZMPATZUIQJR-UHFFFAOYSA-N 402.278 3.838 0 1 HHAF O=C(O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 586945068 CTVBLPYWXRXCGL-UHFFFAOYSA-N 419.509 3.530 0 1 HHAF Cc1ccc(NC(=O)CSCCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 586969965 CRNKWAFOWQWLME-UHFFFAOYSA-N 423.586 3.538 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587176523 ORBFABJSKLJYCA-UHFFFAOYSA-N 413.478 3.530 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587241866 CCUUMCJNEFDRRR-UHFFFAOYSA-N 408.483 3.929 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cc4nc(N)oc14)[C@@H](C2)C3=O 587417427 KLDMQKWFRGGDRM-JEOXALJRSA-N 415.243 3.844 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587490609 YYYFBXOGKTUZHT-PKTZIBPZSA-N 417.502 3.849 0 1 HHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587560763 JXVKZKKGIUYWHE-QDDNIXJVSA-N 409.530 3.853 0 1 HHAF CC(=O)NCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570975 KENUOEXGPQCJTN-DHLKQENFSA-N 417.461 3.948 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C(=O)C2 587582135 KCSIPFBPQNTBDO-RCZVLFRGSA-N 415.445 3.915 0 1 HHAF CC(C)(C)OC(=O)NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656604 NXIZVXPRXICEQQ-UHFFFAOYSA-N 415.396 3.507 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COC(=O)c2ccccc2N)N1 587745440 FRLQSZJRUTUTAP-WYRIXSBYSA-N 407.283 3.777 0 1 HHAF CCOC(=O)[C@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587770373 JAROMMCGRDLENZ-BUXKBTBVSA-N 407.283 3.633 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C 587829195 WJHGGODRCMOXEF-LRPMNMFCSA-N 424.310 3.798 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587834315 RLVPUYGHIWEJHM-APTWFODQSA-N 408.267 3.504 0 1 HHAF O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12 653760829 FLEMRKBTYOJIRL-UHFFFAOYSA-N 417.473 3.705 0 1 HHAF COC(=O)C[C@@]1(C2CCCC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174158 FQIQSWMBIPHTKD-YJBOKZPZSA-N 419.827 3.906 0 1 HHAF CSc1ccc([C@]2(CCCC(=O)O)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963506794 GAJRCMKZXRCBOU-JTSKRJEESA-N 415.511 3.520 0 1 HHAF O=C(O)CCC=C[C@@H](O)[C@H](O)CCCCCC=C(Br)Br 2356720412 ZFXQBFPZXYPLPE-VXGBXAGGSA-N 414.134 3.711 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)OC)[C@@H]21 2356765249 GHMNDPOMCUTYGM-PDGDHKKKSA-N 424.578 3.638 0 1 HHAF COc1ccccc1-c1cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccco2)n(C)n1 2356849732 PMGFMLMVTPVNQX-BBTUJRGHSA-N 406.530 3.656 0 1 HHAF NC(=O)Cc1c(Cl)n(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12 1540044 CBBHYRRZBIRYKM-UHFFFAOYSA-N 400.862 3.614 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@H]2CC[C@H](O)Cc2cccc(F)c2)cc1 3975347 CILMWGKYOULOMR-YADHBBJMSA-N 413.489 3.831 0 1 HHAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4207977 UELRQBVNZQLPNE-MMCAFHBRSA-N 400.906 3.955 0 1 HHAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)[C@@H]1c1c[nH]c2ccccc12 4922121 OIAFANMNBMBJDZ-YADHBBJMSA-N 405.498 3.620 0 1 HHAF O=C1C[C@]2(CC[C@](O)(c3ccco3)[C@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 5822792 QOIBTJCCEGZCMA-NAKSJZFLSA-N 419.433 3.955 0 1 HHAF COc1ccc(COc2ccc(OCC(=O)COc3ccc(C(=O)O)cc3)cc2)cc1 13472824 SVVRPEKROGKSSZ-UHFFFAOYSA-N 422.433 3.999 0 1 HHAF CN(C)C[C@H](O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1 13538079 WVTQEDQHWYJROA-KRWDZBQOSA-N 413.909 3.919 0 1 HHAF C=CCC1=C[C@](OC)([C@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)C(OC)=CC1=O 15045027 ZLKMSKWHUILKHU-AUDZJJNUSA-N 414.454 3.656 0 1 HHAF biogenic COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C1=CCN(C(=O)Oc2ccccc2)C=C1 27725043 JLUVPJKWCXMULZ-ASBZNUFUSA-N 424.453 3.895 0 1 HHAF C[C@H]1C[C@@H](O)[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)C(=O)C(C)(C)O)[C@H]1[C@@H]2CC[C@@H]3C 34167618 IDMQOGKKDALVSS-DPCGLICRSA-N 404.591 3.873 0 1 HHAF O=C1O[C@@](CO)(COC(=O)C2CCCCC2)C/C1=C/c1ccc(C(F)(F)F)cc1 40394478 NGOWERCTQFNFIK-PDANQNNMSA-N 412.404 3.890 0 1 HHAF COc1cccc(NC(=O)c2nc(N3CCN(c4ccncc4)CC3)ccc2Cl)c1 45168048 BFBIPMVXOPYRFF-UHFFFAOYSA-N 423.904 3.718 0 1 HHAF CC(C)CNC(=O)c1cnc(NCCc2ccncc2)nc1NCCc1ccccc1 45299456 YKYWPNCQFNMDKL-UHFFFAOYSA-N 418.545 3.567 0 1 HHAF CC(C)CNC(=O)c1cnc(NCCCN2CCCC2)nc1NCC1CCCCC1 45302609 GAWIJUNEVZPVTE-UHFFFAOYSA-N 416.614 3.752 0 1 HHAF Cc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccccc3F)n2)cc1 82151275 ROORPMNMIQCSMD-UHFFFAOYSA-N 420.488 3.718 0 1 HHAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C3CCOCC3)c(=O)c12 88346049 RVCWJSKUGLHUEL-AWEZNQCLSA-N 404.474 3.501 0 1 HHAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CC1 95794331 MMVJOWJTRVCHLX-ISKFKSNPSA-N 408.517 3.654 0 1 HHAF CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 101668539 UIDFTBVOAOGUDZ-SFOZYMDOSA-N 405.542 3.935 0 1 HHAF CC(C)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1 113088991 TYAKYAXUVYVVKB-OAQYLSRUSA-N 408.477 3.683 0 1 HHAF Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccccc5)nn4C)ccc3[nH]2)n1 115834106 WCHXVBDDMCTDMR-UHFFFAOYSA-N 412.453 3.857 0 1 HHAF CC(C)(CO)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 142964047 WSTGDIKDWSHKTK-UHFFFAOYSA-N 415.877 3.717 0 1 HHAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCCC2(C)C)n2c1COCC2)c1ccccc1 146070057 QKBPUYBXQASRTP-LJQANCHMSA-N 409.530 3.914 0 1 HHAF CC(=O)c1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167707452 KFZKTLNHCTYMJZ-UHFFFAOYSA-N 401.466 3.694 0 1 HHAF Cc1cc(-c2nnc3n2C[C@H](C)N(Cc2cccc(C(F)(F)F)c2Cl)C3=O)n[nH]1 219167968 QPZFQCMHNZTNCP-JTQLQIEISA-N 424.814 3.693 0 1 HHAF Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@H]4C[C@H](C[C@H]21)C[C@H]3C4 254194486 YZXGXCSVJCWIGP-UZQGSULXSA-N 409.574 3.661 0 1 HHAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(F)c4F)cc3)ccc12 299834400 LJTUVOUVZLRBKN-UHFFFAOYSA-N 400.410 3.891 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 586907322 LICLBYLLDWTIQI-VIFPVBQESA-N 403.232 3.693 0 1 HHAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(=O)OC)nc4[nH]3)ccc12 586918539 NWTTUBRGSHEQOS-UHFFFAOYSA-N 407.426 3.773 0 1 HHAF COc1ccc2c(C)c(CCc3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(=O)oc2c1C 586918842 QSQZSACMFRQIRT-NRFANRHFSA-N 406.442 3.804 0 1 HHAF CCc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 587002618 LOEDVMGGOUHGMG-UHFFFAOYSA-N 400.276 3.856 0 1 HHAF COc1nccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 587139902 AMVJTSDFQHNWAI-UHFFFAOYSA-N 416.409 3.713 0 1 HHAF COc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Cl 587182765 SEHBNUMBDWYUHS-MRVPVSSYSA-N 416.650 3.944 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(N4CCCC4)nc1Cl)[C@@H](C2)C3=O 587421693 RCIBXRDQXHZHGD-MEDUHNTESA-N 406.269 3.881 0 1 HHAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC 587588249 QDTGQLAEFNXODW-MBSDFSHPSA-N 423.421 3.690 0 1 HHAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC 587749115 NEFUDZXAJXRJGZ-DGIBIBHMSA-N 409.299 3.985 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 587772697 GDVWHQVUXVGTAS-BIBXISHDSA-N 412.262 3.613 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(=O)O)cc2)N1 587795669 RELOGCNELWWBCI-NSPYISDASA-N 408.267 3.849 0 1 HHAF COc1ccccc1C[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809257 SALXKAHJFRGXIW-JEOXALJRSA-N 408.267 3.654 0 1 HHAF COc1nc(N(C)C)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587856636 YFEOKMHDWQSQLO-AMIZOPFISA-N 400.317 3.743 0 1 HHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1c(OCC(=O)OC)ccc2ccccc12 617970076 HWOVKAMVYFHMGU-ZMESVYRVSA-N 414.483 3.588 0 1 HHAF O=C(COC(=O)Cc1ccc(Cl)cc1)N=c1c2c([nH]c3ccccc13)CCCC2 653844324 SHUHJCFIELPSHE-UHFFFAOYSA-N 408.885 3.913 0 1 HHAF CCn1ncc(C(=O)C[C@]2(C(F)F)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1C 962639030 XULSROUSNGSAQA-WHEQGISXSA-N 421.488 3.838 0 1 HHAF Cn1cc(-c2ccc3nc(NC(=O)c4cncs4)cn3n2)c(-c2ccc(F)cc2)n1 1772646397 ILLIKOQDKRIKOO-UHFFFAOYSA-N 419.445 3.645 0 1 HHAF COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCCN=c1ccnc(NCC(C)C)[nH]1 1857583733 QZKCXZXKILSKBR-NRFANRHFSA-N 422.577 3.926 0 1 HHAF COCC=Cc1cc(O)c2c(c1)[C@@H](COC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 2356572669 IWDGCLQHHMDLRR-XMSQKQJNSA-N 414.454 3.849 0 1 HHAF CCCCCC(=O)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 61923000 JARYLLDZOHMNFI-YPAWHYETSA-N 412.534 3.620 0 3 HHAF COc1cccc(CN(C)CCCn2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)c1 61936047 PIQHKMZYWYXKJI-UHFFFAOYSA-N 407.518 3.678 0 3 HHAF CSc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2 601532 LGVVEFQWWBTSHP-SFHVURJKSA-N 411.571 3.632 0 1 HHAF CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1CCCc1ccccc1 13493997 UKNAWBIMMPPIBW-UHFFFAOYSA-N 405.487 3.671 0 1 HHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C[C@H](C)O 13586225 CRZUSGCYXFZXTQ-LBPRGKRZSA-N 400.479 3.812 0 1 HHAF CCc1c(CC(N)=O)c2c(OC[C@@H](O)CC)cccn2c1Cc1cccc(Cl)c1 13758433 GHNRIQBWVAOEPL-KRWDZBQOSA-N 414.933 3.923 0 1 HHAF CCNC(=O)C1CCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)CC1 14995097 HJBAUASYPHBKGZ-UHFFFAOYSA-N 411.546 3.748 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2O 15262589 MRIJYJFSLKIHCK-LDLUMPKVSA-N 402.443 3.675 0 1 HHAF biogenic CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1OC 26952220 NTKXMMKMXDQCMO-SFHVURJKSA-N 403.519 3.557 0 1 HHAF C[C@@H]1CCc2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2CC(=O)O)C1 28121867 PTWZVTYHJNTFCV-CYBMUJFWSA-N 416.474 3.791 0 1 HHAF CC(=O)N1[C@@H]2C=C(CN3CCC(Nc4cnc5ccccc5n4)CC3)C[C@H]1CCC2 29129505 CQKPQGPFKZFFHT-LEWJYISDSA-N 405.546 3.606 0 1 HHAF COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC 33531588 GRIYRLOAXXRSKV-UHFFFAOYSA-N 415.453 3.876 0 1 HHAF Cn1cc(C2=C(c3coc4cc(CO)ccc34)C(=O)NC2=O)c2cc(F)c(Cl)cc21 40423538 NZVVXITYPLCRRD-UHFFFAOYSA-N 424.815 3.777 0 1 HHAF C[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82206958 STWHKAMELPSXME-MRXNPFEDSA-N 406.530 3.874 0 1 HHAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC)[C@H]2CN(CC)C(=O)c2ccccn2)cc1 95668577 ZDDUBPABKWWDDN-PRCMYHFRSA-N 407.558 3.816 0 1 HHAF O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4nncs4)ccn23)c1 147299388 YWCIQAZYXWWPJW-UHFFFAOYSA-N 419.392 3.599 0 1 HHAF Fc1ccccc1N1CCN([C@H]2CC[Si](c3ccccc3)(c3ccccc3)C2)CC1 170112568 SDJGRCVPRCDSHK-QFIPXVFZSA-N 416.616 3.983 0 1 HHAF CC(C)n1c(=O)nc(Nc2cccc(C(F)(F)F)c2)n(Cc2ccc(F)cc2)c1=O 200526431 MSMVJAKQZYUCKV-UHFFFAOYSA-N 422.382 3.936 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 299879017 KCXUQGQAGCNPRK-FKEBYFGASA-N 408.498 3.597 0 1 HHAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980137 KWBVLKQUHLOWEH-UHFFFAOYSA-N 414.712 3.896 0 1 HHAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587032347 IEMWMNCCKNENKX-UHFFFAOYSA-N 412.540 3.821 0 1 HHAF Oc1nc(NCc2ccccc2)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)nc-2[nH]1 587075048 FAJSIHRRKHQHRG-UHFFFAOYSA-N 418.848 3.523 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422653 POJCFIFTCLQWNP-QRWLVFNGSA-N 406.356 3.920 0 1 HHAF COc1cc2c3c(c1)O[C@H]([C@@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O 587449410 AGQDPYICYXUACW-SZFUDVHCSA-N 418.474 3.721 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 587744724 IHANOLMYQJWWTH-JEOXALJRSA-N 407.283 3.813 0 1 HHAF CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1=O 587790501 IJULAOHPKOWLQU-JJFKOLPGSA-N 422.342 3.553 0 1 HHAF O=C(O)CCc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O 587943627 LKKJUSFKOCGOBW-UHFFFAOYSA-N 417.364 3.541 0 1 HHAF C[C@@H]1CN(Cc2ccc(C(=N)N)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1 653738923 TZABBIBQCFRLLV-LJQANCHMSA-N 419.573 3.509 0 1 HHAF Cc1ccc([C@@]2(C(O)O)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1 961782711 ZLMCHNSLGKXWMG-VWLOTQADSA-N 424.541 3.701 0 1 HHAF COc1cc2c(cc1OCCCC(=O)NC1CCCCC1)N=C[C@@H]1CCCN1C2=O 1857567043 GQCQHLNCIIZLIN-KRWDZBQOSA-N 413.518 3.624 0 1 HHAF CC[C@H](O)[C@@H]1[C@H]2CC[C@@H]3CC=C4OC(=C5OC(=O)C(C)=C5OC)[C@H](C)[C@@H]4[C@@H](CC2)N13 2356503950 ZOUDZLSCIFATNZ-YBBKKWCSSA-N 415.530 3.628 0 1 HHAF OCC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@H]21)C3 2356653255 HRIGHPKJBOCXKN-CAKRBILKSA-N 412.618 3.661 0 1 HHAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@H]3CCCC[C@@H]32)cc1 95566621 VTLIPPAVXFMAOE-QRFRQXIXSA-N 405.541 3.988 0 3 HHAF CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(OC)c3)c2n1 4239096 RNGACCYWBMEWOJ-UHFFFAOYSA-N 421.888 3.996 0 1 HHAF O[C@H]1CN[C@H](CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 28528826 NWUCCGFOUDIMGP-FCHUYYIVSA-N 420.532 3.785 0 1 HHAF NC(=O)c1ccnc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 28954730 JOJWHUPSORPQDS-UHFFFAOYSA-N 405.498 3.666 0 1 HHAF O=C(O)c1cn(CCO)c2ccc(Cc3cccc(Cl)c3Cl)c(F)c2c1=O 29501395 ZSLLYTSTEAZURY-UHFFFAOYSA-N 410.228 3.729 0 1 HHAF CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1Cc1ccco1 82083313 ZTSOXNFGXJHQOK-UHFFFAOYSA-N 409.446 3.884 0 1 HHAF CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181027 WTMVAAVHVHAADB-GOSISDBHSA-N 408.525 3.982 0 1 HHAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N=C1N 95603623 ZKNFURWSEBVNEE-FQEVSTJZSA-N 403.404 3.916 0 1 HHAF CC(=O)N1CCC(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168869 UGOIIKZLPMMYEG-UHFFFAOYSA-N 402.498 3.623 0 1 HHAF CC[C@@H](C)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](C)CC)s2)s1 169697833 OGDSPCLHNCWSLK-VXGBXAGGSA-N 424.596 3.924 0 1 HHAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@H]3C)nn2-c2ccccc2)c1 169706974 YIGIQJKRHOFZTA-JXFKEZNVSA-N 402.498 3.812 0 1 HHAF CCCC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201110835 YTBKJXYUEGDBEA-BCRJKPAOSA-N 412.574 3.918 0 1 HHAF N[C@H](Cc1cscn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587030007 YCTNQIPFNIFFEX-MRVPVSSYSA-N 407.215 3.923 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccc(C(F)(F)F)c3)nn1)O2 587383271 VLKDDUPJCXEDTG-SFHVURJKSA-N 402.376 3.942 0 1 HHAF COc1cc2c3c(c1)O[C@](c1cccc(N)c1)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587432474 MIEOQAZKJANVCM-UQBPGWFLSA-N 415.445 3.740 0 1 HHAF CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516510 CWNXWVBVSIOKRD-NVQXNPDNSA-N 419.521 3.965 0 1 HHAF COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559206 ZPQGAIPJDQRBKY-DYESRHJHSA-N 404.365 3.701 0 1 HHAF COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649326 HRRJJVVDFOQXIV-UHFFFAOYSA-N 411.401 3.968 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N)c(Br)c2)N1 587683739 WYZNLRZWAORAJH-UOWDBTKRSA-N 415.104 3.952 0 1 HHAF Cc1ccc(CN2CC[C@H](N3CC[C@H](c4ccc(O)c(F)c4)[C@@H](F)C3)C2=O)cc1F 1772586772 YPQRZBTXPBZJBN-QMMLZNLJSA-N 418.459 3.907 0 1 HHAF CN(c1ccc(I)cc1F)c1c(C(N)=O)ccc(F)c1F 1857636730 CWLIUXTVTRDSRO-UHFFFAOYSA-N 406.145 3.575 0 1 HHAF Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4cc(Cl)ccn4)cc3)n2)cn1 1911575212 BHDQFKWHUIWPRF-UHFFFAOYSA-N 421.848 3.552 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC(C)=O)c(OC)c4)OC[C@H]23)cc1OC 2356337857 FGPFMACOBGPDPV-DODAUVCRSA-N 414.454 3.713 0 1 HHAF COC(=O)c1c(O)cccc1OCC=Cc1ccc(F)c(-c2cc(C(=O)O)no2)c1 2356347446 QKHWJUMLYAYZFS-UHFFFAOYSA-N 413.357 3.763 0 1 HHAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 772751 RNIWBBFTXTVNKX-IRFCIJBXSA-N 410.857 3.875 0 1 HHAF CC(C)c1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@H](O)CO)cc1 774871 LRMMBFUOAWQYMZ-INIZCTEOSA-N 414.889 3.868 0 1 HHAF Cc1ccc(CNC(=O)[C@@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)cc1 8605121 DPVCSNZBABJMKY-GOSISDBHSA-N 414.509 3.896 0 1 HHAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@H]12 8830601 DKZPDNPWKHTWCC-JEYZWYLSSA-N 414.498 3.941 0 1 HHAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H](OC)c2ccccc2)C(=O)O)cc1 13445271 SCNQOQOEHOZDPQ-GMAHTHKFSA-N 419.477 3.862 0 1 HHAF CC(C)C[C@H]1n2cncc2CN(Cc2ccc(OC(F)(F)F)cc2)S1(=O)=O 62224220 GUDPVWCEUPKJOV-INIZCTEOSA-N 403.426 3.672 0 1 HHAF Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 62224974 XNJRTGXZCIRPJA-QHCPKHFHSA-N 420.536 3.510 0 1 HHAF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)CC1 82175636 OJYNTSNHMCHRSX-UHFFFAOYSA-N 411.506 3.692 0 1 HHAF O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1nc2ccccc2s1 84706929 FWIONYHYZCOBHD-UHFFFAOYSA-N 422.495 3.808 0 1 HHAF O=C(c1cccc(F)c1)c1cc(F)ccc1/C=C/OCCN1CCC[C@H](C(=O)O)C1 96923617 OQOWWWFOFMMLDT-MZEUMTGBSA-N 415.436 3.980 0 1 HHAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 169355226 OKTLUHLPRNUIIK-ZCNNSNEGSA-N 408.527 3.715 0 1 HHAF 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407.470 3.893 0 1 HHAF Cc1cn([C@@H]2CCCN(C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)nc1O 1772638870 BVKFKVFHWLHFGJ-GOSISDBHSA-N 405.454 3.527 0 1 HHAF Cc1nnc2n1-c1ccc(-c3ccc(=N)[nH]c3)cc1[C@H](Nc1cccc(CO)c1)CC2 1857564806 QVNRJIFJKAFCPD-OAQYLSRUSA-N 412.497 3.642 0 1 HHAF N=c1c2c([nH]c3cc(Br)ccc13)CC[C@@H](C(=O)NCCc1ccccc1)C2 1857639823 XWHXBDJVKUBUPH-OAHLLOKOSA-N 424.342 3.874 0 1 HHAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@H]12)C(=O)O[C@@H]3O 2356622241 BUXFGRWORDRRTK-QEYZDPKDSA-N 412.482 3.581 0 1 HHAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@@]3(C)[C@H]4O[C@H](CC(C)=CC[C@H]3OC(C)=O)[C@H]1[C@H]42 2356789216 DAJIKNUNDGBDIF-LMHFHVKHSA-N 420.546 3.671 0 1 HHAF CCOc1ccc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)cc1 104009422 GSLMNAQPHKHUDK-WMLDXEAASA-N 420.391 3.795 0 3 HHAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049315 NEAVIXCFIBOSNW-MJWYBRSISA-N 403.885 3.637 0 1 HHAF O=C(O)c1ccncc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 11422484 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95588020 RGSZXXLDAYNQJX-KGLIPLIRSA-N 421.228 3.616 0 1 HHAF OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95875544 ZLAMFFFFACPEQP-GSDHBNRESA-N 414.553 3.568 0 1 HHAF COC(=O)[C@@H]1[C@H](c2ccc(/C=C\I)cc2)C[C@H]2CC[C@H]1N2C 100987885 ABXUYGWOEIXKBD-PVFHNOOTSA-N 411.283 3.832 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@@H]2C[C@H]3C[C@]3(c3ccccc3)C2)n1C 101638906 XWXGIXOQLMBDID-NJNPRVFISA-N 409.559 3.971 0 1 HHAF COC(=O)[C@@H](Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12)C(C)C 103197968 YLGKIJYEIMZIRB-AWEZNQCLSA-N 408.355 3.858 0 1 HHAF Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc(F)cc3)C3(CCC(=O)CC3)NC2=O)c1 103220651 NBTNXLJMQZRFDE-UHFFFAOYSA-N 421.468 3.951 0 1 HHAF Cc1cccc2nc([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)c(=O)n12 114790146 UAFJYRXPRSODCX-ZDUSSCGKSA-N 415.432 3.648 0 1 HHAF O=C(N[C@H]1CNCC[C@H]1c1cccc(F)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 146275839 HGSIQHLBRZODEA-UGKGYDQZSA-N 415.472 3.640 0 1 HHAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2cccc3ccn(C)c23)C(=O)O1 169353140 ZETICKHKBWHSEB-WKDXJHLXSA-N 413.514 3.999 0 1 HHAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(Br)c21 169722174 XQWJRSINCQFUSK-OAHLLOKOSA-N 407.195 3.809 0 1 HHAF Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cn2)cn1 224817515 ZNFRUDHBDOJQOO-UHFFFAOYSA-N 415.419 3.639 0 1 HHAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 299876557 FWVVOHJECSTCGD-KJXAQDMKSA-N 420.465 3.620 0 1 HHAF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299886169 WSTWSBQHFWIKQQ-JAXLGGSGSA-N 406.507 3.560 0 1 HHAF O=Cc1cc(Br)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586982744 PJYLOXQHNUJJGT-UHFFFAOYSA-N 400.276 3.637 0 1 HHAF Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2n1 587109582 ZJYHRJODKWEVGP-CQSZACIVSA-N 410.421 3.811 0 1 HHAF O=C1CC=C(c2nc3ccc(OC(F)(F)F)cc3[nH]2)NN1Cc1ccc(F)cc1 587162463 CQEOZWSJHCODRB-UHFFFAOYSA-N 406.339 3.879 0 1 HHAF O=C(c1ccc(C(F)(F)F)cn1)c1c(CO)oc2cc(Br)cnc12 587275995 IKWSPYXRCFMHMX-UHFFFAOYSA-N 401.138 3.727 0 1 HHAF CCOC(=O)[C@H](CCOC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346476 JAEAMZVSMAXNPI-LEDOBFOHSA-N 416.445 3.865 0 1 HHAF O=C1[C@@H]2[C@@H]3C[C@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]5[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]42 587352708 NMQDICCAUIOBBZ-JFJOGYTISA-N 402.421 3.586 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)O 587516202 ADMPNFDEIXRTPH-HXOBKFHXSA-N 415.486 3.754 0 1 HHAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1OC 587577804 LWSKPRKCCORURG-WZONZLPQSA-N 407.422 3.869 0 1 HHAF COCCn1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587581414 LCPUGOGTSSBCKZ-NZQKXSOJSA-N 408.454 3.729 0 1 HHAF C[C@H](Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587593312 IRMPXRIIDARPRZ-VCHGGQOGSA-N 406.390 3.947 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)nn2C)N1 587687154 XOVBTUUTYDAXNJ-JKYUHCHBSA-N 403.093 3.708 0 1 HHAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)O)c1 587789840 DAUABEYYURHCLB-DGIBIBHMSA-N 424.266 3.684 0 1 HHAF CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807220 KDSXGSGSGPYBGW-FKIZINRSSA-N 422.294 3.938 0 1 HHAF O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1cc2ccccc2oc1=O 653735558 NEJMVKXBNSIJTA-JOCHJYFZSA-N 415.493 3.957 0 1 HHAF Fc1ccc2c(c1)C[C@H]1CCCN1C21CCN(c2ncc(Br)cn2)CC1 963107284 XIVOWETWXCYRCN-QGZVFWFLSA-N 417.326 3.894 0 1 HHAF Cc1cccc2c1[C@]1(CCc3ncc(O)cc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863540 YONLDCGTSMQJGC-VOIUYBSRSA-N 424.497 3.922 0 1 HHAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(F)c(F)c1 1772595783 VLIVVRVETMYTHW-XLIONFOSSA-N 422.422 3.896 0 1 HHAF C[C@H](NC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1ccc(C(=O)O)cc1 1857608173 JEBLNDPLYYRGKI-LBPRGKRZSA-N 418.375 3.534 0 1 HHAF C[C@@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cn2)nc(O)c1O)C1CCCCC1 1911570432 GOOOCGGJEQBLSX-SNVBAGLBSA-N 410.396 3.667 0 1 HHAF CCOc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@H]2CCCO2)cc1 5444569 TVVNAMGCHKXNDD-LJQANCHMSA-N 408.454 3.796 0 3 HHAF COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1 11954523 ZRJXMBHRSSVINF-SFHVURJKSA-N 412.505 3.712 0 3 HHAF CC[C@@H](C)C(=O)Nc1nc2c([nH]1)[C@@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 14887750 IQLKTYKQMWNGPV-CHWSQXEVSA-N 406.490 3.620 0 1 HHAF biogenic CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccc(F)cc43)CC1)C(=O)C2 27308798 BNMJXVWOIBLBIM-UZUQRXQVSA-N 417.546 3.911 0 1 HHAF COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 28817411 CLXMUYLJOYEQAM-RBBKRZOGSA-N 422.481 3.542 0 1 HHAF CN(C)CCCc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc12 29125830 ZIELIAUCLBJXMU-UHFFFAOYSA-N 412.493 3.642 0 1 HHAF CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 34010878 BMYAZXYKGLUORG-HXUWFJFHSA-N 405.498 3.907 0 1 HHAF C#CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(NCC=C)nc3[C@H](C)[C@H]2[C@@H]1O 36355062 XTMDPIGOMXNQIL-LRIIRRJSSA-N 415.603 3.522 0 1 HHAF biogenic CC(C)c1ccc(S(=O)(=O)n2ccc3cc(CN4CCN(C)CC4)ccc32)cc1 71295821 HGMNPLGJPRITQB-UHFFFAOYSA-N 411.571 3.749 0 1 HHAF CCOCC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O 72171940 BBXWUOVSFVGMBP-OAQYLSRUSA-N 406.482 3.948 0 1 HHAF CN1CCC[C@@H]1CCn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 82186148 CMAUQXATLNJTSJ-HXUWFJFHSA-N 404.562 3.918 0 1 HHAF Cc1nc2ccc(CN3CCN(C)CC3)cc2n2c(-c3ccccc3Cl)nnc12 95595070 QINZPNYWORORJH-UHFFFAOYSA-N 406.921 3.654 0 1 HHAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1CCC(F)(F)F 95871861 UVBWQNLXXKUSLN-NJDAHSKKSA-N 424.438 3.710 0 1 HHAF O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O 100076059 UIOUHBZSRHLNCJ-LJQANCHMSA-N 405.498 3.559 0 1 HHAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@H]1CNCCO1 230815457 CZJFENQAHHOVJX-CYBMUJFWSA-N 418.856 3.542 0 1 HHAF Cc1ccccc1[C@H]1[C@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299868675 SCYUPMFTYFIJTQ-REWPJTCUSA-N 419.506 3.617 0 1 HHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 586972680 KNSJFWLLMPEHBB-CYBMUJFWSA-N 423.311 3.970 0 1 HHAF Cc1c(I)cnn1[C@@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 587183433 YIEKERXGWZBFKI-LURJTMIESA-N 422.057 3.984 0 1 HHAF O=C1C[C@](CN2C(=O)CCC2=O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587508007 XMJNPROWPKMJSR-DEOSSOPVSA-N 407.441 3.714 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3ccc[nH]3)c(=O)c3ccccc23)cc1OCC 587670934 WLCIWILJZHMSJR-UHFFFAOYSA-N 403.438 3.878 0 1 HHAF COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587768490 CZNKZVNMLHZHCE-WLRWDXFRSA-N 423.282 3.634 0 1 HHAF CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793356 DPTAASHYKHIGSY-PQRCPXHRSA-N 400.288 3.821 0 1 HHAF CCC[C@@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797627 MOMWNEIDLCCSDQ-VOJFVSQTSA-N 400.288 3.640 0 1 HHAF COC(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804126 AZTDJQFWBGCIHF-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF CCOC(=O)C[C@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587851249 BMCPSOPAUHUJMZ-QGHHPUGFSA-N 413.312 3.776 0 1 HHAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2cccnc2)cc1 653706737 PSYMRYLDFJWSKX-QFIPXVFZSA-N 412.449 3.530 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962672894 UFUBCPOGWVIHIF-UOQJGJCTSA-N 415.537 3.824 0 1 HHAF CC(C)(C)OC(=O)N1CCC([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)CC1 963226275 DQWQCHQSUQIMJH-UXHICEINSA-N 411.502 3.522 0 1 HHAF Cc1cc2c(cc1O)[C@](c1ccc(Cl)cc1F)(C(F)(F)F)N[C@H](C(=O)O)C2 963512634 XSRQFCYRDGJZBA-WMLDXEAASA-N 403.759 3.898 0 1 HHAF COc1ccccc1N1CCN(CCCCOc2ccc3sc(=N)[nH]c3c2)CC1 1857562519 CTTVMGVVWWHIMC-UHFFFAOYSA-N 412.559 3.699 0 1 HHAF O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1n[nH]c(=Nc2ccccc2)o1 1857590076 OIANUMKKTLMDKM-UHFFFAOYSA-N 422.448 3.569 0 1 HHAF COc1ccc([C@H](C(=O)Nc2ccc(C)cc2)N(C)C(=O)c2ccc(O)nc2)cc1 1857639832 GGXUSQNOFQYKLY-OAQYLSRUSA-N 405.454 3.556 0 1 HHAF CC(C)Cn1cc(/C=C2\C[C@@](CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 1857748172 TUTVKAOMRMMGTD-AFAPPVNZSA-N 413.514 3.948 0 1 HHAF CCCSc1nc(Sc2nccn2C)c2ncc(=O)n(Cc3ccccc3)c2n1 1857761226 PZSKXXPWZXBSDC-UHFFFAOYSA-N 424.555 3.622 0 1 HHAF CC1=CCC2=C(C(C)C)CC(=O)O[C@]2(C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@H]1O[C@]3(C)O 2356532428 YAEXNKPEJYCROB-QSGVDLIZSA-N 416.514 3.945 0 1 HHAF COc1ccc([C@H](OC(C)=O)[C@@H]2CO[C@H](c3ccc(O)cc3)[C@@H]2COC(C)=O)cc1 2356553817 DYHAQSFWZZAXHU-ODAXIHTASA-N 414.454 3.572 0 1 HHAF CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 13660801 JLFORSRSVLFNNO-VOQZNFBZSA-N 416.550 3.985 0 3 HHAF Cn1nnnc1Sc1ncnc2scc(-c3cccc(Br)c3)c12 36380181 ISHUIJPLAGGONA-UHFFFAOYSA-N 405.306 3.796 0 3 HHAF COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3ccc(F)cc3)c2n1 4238270 FASAZEVYIUJMAE-UHFFFAOYSA-N 415.428 3.541 0 1 HHAF Cn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)[nH]c3ccccc3c21 4922014 BQFXXLCIQVWHKK-UHFFFAOYSA-N 420.900 3.636 0 1 HHAF CN(CCCNC(=O)c1ccccc1CNCCc1ccc(O)cc1)c1ccccc1 13589123 QWMPQQRVDYLILT-UHFFFAOYSA-N 417.553 3.981 0 1 HHAF COc1ccccc1N1CCN(CCCN(C)C(=O)c2nsc3ccccc23)CC1 13737871 NXHJZSQUERIEOI-UHFFFAOYSA-N 424.570 3.589 0 1 HHAF O=C(NC(=O)c1ccccc1)NC1CCN(CCCc2c[nH]c3ccccc23)CC1 27985783 ZZJVQZFMOCZJMR-UHFFFAOYSA-N 404.514 3.705 0 1 HHAF CC(=O)OC[C@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]12 29042438 DVILVCNQCLDLLF-AQGDWUNASA-N 418.530 3.855 0 1 HHAF COc1cccc(NC(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 40011693 HPGQLUGXWZDGJX-UHFFFAOYSA-N 401.894 3.909 0 1 HHAF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(F)cc2)n1 82140452 LBIVLGQWQCEMOS-HOTGVXAUSA-N 400.498 3.849 0 1 HHAF Cc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167833817 KGCLVKYRJRCUQP-UHFFFAOYSA-N 401.510 3.520 0 1 HHAF CNC(=O)[C@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1 169720521 FYDWBCULRFNKGS-IPMKNSEASA-N 405.523 3.661 0 1 HHAF CN(c1ncc(Cl)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203541263 KEBFQSMUYZWMIG-ZDUSSCGKSA-N 405.285 3.816 0 1 HHAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587033988 LESWSGCMBZIZIK-JTQLQIEISA-N 400.895 3.856 0 1 HHAF CCS(=O)(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167216 IKSGBXIDNZKTKR-GOSISDBHSA-N 416.478 3.865 0 1 HHAF O=C(O)C[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347153 ANCVGMQTOAOCOQ-GMAHTHKFSA-N 408.381 3.966 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(Br)c(OC)c1)[C@@H](C2)C3=O 587414831 XWYMBLNBPIVDIC-HXPMCKFVSA-N 405.244 3.964 0 1 HHAF COc1cc2c3c(c1)O[C@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587432446 LXHUEAMICVKNSC-DYALPIRYSA-N 417.502 3.521 0 1 HHAF COc1cc2c3c(c1)O[C@@](CS(=O)(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587449614 PYBIPZFKAHRSIT-RDPSFJRHSA-N 420.486 3.812 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587718022 HNKHOUUTVLNKQL-CQLKUDPESA-N 402.258 3.981 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)s2)N1 587844872 CJRGKVPWTAYISC-VOJFVSQTSA-N 410.356 3.683 0 1 HHAF CCOC(=O)c1sc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1C 587869236 DPAOPCUGNZEGAQ-UHFFFAOYSA-N 412.393 3.903 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc2c(c1)OCO2 587869652 OYHTXKCVOFFTKM-UHFFFAOYSA-N 422.388 3.946 0 1 HHAF Clc1cccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)c1 653702418 KLBXEUKQJBQBJU-UHFFFAOYSA-N 408.893 3.774 0 1 HHAF COc1ccc(OC)c([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962667487 OCJGWULZRRAGHJ-ZEQRLZLVSA-N 406.482 3.614 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2cnc3ccccc3n2)N1 962928568 YYFUSDQIBKDRSJ-JTHBVZDNSA-N 413.433 3.816 0 1 HHAF COc1cccc(C(=O)C[C@@]2(C(F)(F)Cl)NCCc3c(C(=O)O)cccc32)c1 963118275 BFCCZFMFWIBSEE-LJQANCHMSA-N 409.816 3.839 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2cc(F)ccc2F)(C(F)(F)F)N1 963223478 AWQCFHONHTWSFZ-MJGOQNOKSA-N 408.326 3.918 0 1 HHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(Cc1ccc(C(F)(F)F)cc1)C(=O)O 963602670 ANXOLMMBYJDDLI-FKIZINRSSA-N 409.404 3.779 0 1 HHAF Cc1cncc(C(=O)Nc2cccc(CN3CCC[C@H](C(=O)NCC4CC4)CC3)c2)c1 1772629749 GEJGQEPLAWONJW-NRFANRHFSA-N 420.557 3.771 0 1 HHAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 1772647952 MDFBVGXNRBSHEJ-UHFFFAOYSA-N 420.494 3.736 0 1 HHAF COc1ccc(C[C@H](N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 61903315 DEGMRUZMMGKOGP-KRWDZBQOSA-N 403.529 3.541 0 3 HHAF Brc1cccc(Nc2ncnc3cnc(NCCc4c[nH]cn4)cc23)c1 3815071 JKSUBOCXWXIPAH-UHFFFAOYSA-N 410.279 3.909 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)CC 4310524 YSQNGPQWKLZHPF-GQWLDOHISA-N 406.523 3.605 0 1 HHAF CN(Cc1cc(Cl)c(Cl)cc1NC(=O)CN)[C@H]1CCCC[C@@H]1N1CCCC1 19372365 VXWXQUXBJFNWBL-OALUTQOASA-N 413.393 3.729 0 1 HHAF CCC1(CC)C(=O)N(COC(=O)Nc2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 26011281 GYOKHBUIVVKRTC-IBGZPJMESA-N 416.499 3.641 0 1 HHAF CS(=O)(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 27521557 KHLLEQMTZRUCKB-DLBZAZTESA-N 402.299 3.731 0 1 HHAF COC(=O)Nc1cccc(C(=O)Nc2ccc3c(Cl)c(OC)oc(=O)c3c2)c1 34492441 MCZMKVSWIPYJDH-UHFFFAOYSA-N 402.790 3.886 0 1 HHAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@@H]1CCCO1)C2 34804895 UVLAIQGSAPXWHH-ZDUSSCGKSA-N 406.313 3.957 0 1 HHAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C[S@@](C)=O)CC3=O 45256704 BJSJLRUHMIZYAK-MUWSIPGASA-N 416.495 3.642 0 1 HHAF CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2 72123598 OQBZFIIYCJNPGI-UHFFFAOYSA-N 415.581 3.729 0 1 HHAF CS(=O)(=O)c1ccc(NN2C(=O)CS[C@H]2c2ccc(C(F)(F)F)cc2)cc1 84672284 MLWJETUPDUDOTM-INIZCTEOSA-N 416.446 3.710 0 1 HHAF C[C@@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1 84730180 INQYQIPIONHQKW-OAHLLOKOSA-N 420.538 3.795 0 1 HHAF CC(C)(C)c1ccc(C(=O)Nc2ccc3sc(CNS(C)(=O)=O)nc3c2)cc1 84740500 MTTQQDBEMBDZSR-UHFFFAOYSA-N 417.556 3.895 0 1 HHAF CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](O)C(F)(F)F 96177806 NVRIZFZJZGOIOM-DZGCQCFKSA-N 423.443 3.528 0 1 HHAF O=C(c1ccc([18F])cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 100060052 SMYALUSCZJXWHG-VNRZBHCFSA-N 410.505 3.793 0 1 HHAF in-vitro Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 116585700 VMNCYKLGFBECRY-SJCJKPOMSA-N 418.465 3.962 0 1 HHAF Cc1ccc(-n2c(O)cc(N3CCN([C@H]4CCc5ccccc5C4)CC3)c2O)cc1 169686653 NYIRVNIRKBZOKN-QFIPXVFZSA-N 403.526 3.876 0 1 HHAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2c(F)cccc2[nH]1 169701528 IPLQAUHAAVEUPQ-UHFFFAOYSA-N 419.460 3.565 0 1 HHAF COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4[C@H](C)C(F)(F)F)n2)CC1 222728351 SPPAJTSZHAHTMB-GFCCVEGCSA-N 421.427 3.703 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(F)nc1 261076022 AYQAEKBSWGRJSJ-KRWDZBQOSA-N 409.417 3.546 0 1 HHAF O=c1c(CNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)coc2ccccc12 299863732 PTBIYRCIMYFLLK-UHFFFAOYSA-N 407.451 3.601 0 1 HHAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)ncc4[nH]3)CC2)cc1 586955861 XRTHDKOJIYDNCO-UHFFFAOYSA-N 424.448 3.853 0 1 HHAF COC(=O)c1cc2nc(C[S@](=O)CC3CC3)[nH]c2c(F)c1Nc1ccccc1 586961021 ZPCRYFWYQOLHPI-MUUNZHRXSA-N 401.463 3.891 0 1 HHAF Brc1c[nH]c2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2n1 586997943 FIKAWEWIVIUBOU-UPHRSURJSA-N 424.052 3.729 0 1 HHAF O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587344081 FOCAONFWAXTREN-NFBKMPQASA-N 401.397 3.952 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(C)cc1C)CC2=O 587483466 XAGVNTREFMKMSQ-XMMPIXPASA-N 410.466 3.954 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N)c(Br)c2)N1 587684243 YWLWGGIMKLPPDN-WJWGPLDTSA-N 415.104 3.952 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)Nc1ccccn1 587864463 KEFHPVINLAQRKN-UHFFFAOYSA-N 404.348 3.642 0 1 HHAF COc1ccc(CCCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c1 587928850 NWLVHKBJFOOYDB-UHFFFAOYSA-N 406.486 3.511 0 1 HHAF COc1ccc([C@]2(CCC(=O)O)NCCc3cnc4c(OC)cccc4c32)cc1OC 963049175 AULYQLDINCHDMC-DEOSSOPVSA-N 422.481 3.515 0 1 HHAF C[C@]1(c2cc(Cl)ncn2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180318 NATMQXHTDUSKAF-BJOHPYRUSA-N 406.191 3.665 0 1 HHAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(F)c(F)c1 1772633159 GEARHVGBHFRSBG-QMMLZNLJSA-N 404.432 3.599 0 1 HHAF O=C(/C=C/c1ccc(F)cc1)Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1 1857651671 CHGSXXBGLIUCHB-XCVCLJGOSA-N 419.460 3.848 0 1 HHAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](Cc5ccc(=N)[nH]c5)C4)(C[C@](N)(CCO)[C@H]31)O2 2356297806 YMAGGZDWBUAIJN-ZDOANDLKSA-N 413.606 3.661 0 1 HHAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H](CCSC)n1cccc1 2356763829 UIJKCOXPFDVUFE-ACRUOGEOSA-N 407.624 3.522 0 1 HHAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 7140962 PUDOZZTYLABBEU-YQQAZPJKSA-N 415.559 3.727 0 3 HHAF aggregator CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055903 DSBLOZMBPHVCER-KKTRPPJXSA-N 400.906 3.955 0 1 HHAF Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2C(=O)O)c(C(=O)O)c1 6522287 ZRLHQYRMFQVVEP-UHFFFAOYSA-N 412.442 3.837 0 1 HHAF O=C1C[C@]2(CC[C@](O)(c3ccco3)[C@@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 31871012 QOIBTJCCEGZCMA-GRFCFPJTSA-N 419.433 3.955 0 1 HHAF O=C(NC1Cc2ccccc2C1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 38319838 GMINVBGONPOXIJ-UHFFFAOYSA-N 420.476 3.912 0 1 HHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](C(=O)NCc1ccncc1)[C@@H]2O 40556564 PHCMYYPTUPNLMJ-OCSKDXQSSA-N 406.526 3.547 0 1 HHAF in-vivo COc1ccc(-n2nc(-c3nc4ccccc4[nH]3)c3nc4ccccc4n3c2=O)cc1 40880682 VDRPPQKGQUIRNF-UHFFFAOYSA-N 408.421 3.585 0 1 HHAF COC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(Br)cc1 64503383 DDWVALCIZKDJMZ-UHFFFAOYSA-N 404.216 3.999 0 1 HHAF O=C(Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1 64527552 KLUBTBYLHVKGLO-UHFFFAOYSA-N 410.359 3.995 0 1 HHAF COc1cc2nc(NCCCCO)nc(NCc3c(F)cccc3F)c2cc1OC 82129316 PUNKCGPZCMQHBN-UHFFFAOYSA-N 418.444 3.722 0 1 HHAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCCCN(C)c1ccccc1 82204091 AAAQNPVDSQMLQP-UHFFFAOYSA-N 408.594 3.788 0 1 HHAF O=C(C1CCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccc(Cl)c1)C2 95797534 FGNUXFBLOXKKCJ-FCHUYYIVSA-N 410.945 3.681 0 1 HHAF CCCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 299810274 PKRSCLWRYRXOGB-WZAXVQITSA-N 423.553 3.699 0 1 HHAF O=[n+]1[nH]c2c(I)cnn2c2cc(/C=C/c3ccccc3)ccc21 377815889 PXBHPSFXUUMOLF-VOTSOKGWSA-N 415.214 3.505 0 1 HHAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(O)c2[nH]1 586936987 OQGDHXNDHFFEST-OAHLLOKOSA-N 405.545 3.658 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 587118114 NTZPMIJFSZTKON-UHFFFAOYSA-N 417.185 3.921 0 1 HHAF C[C@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538908 CFHNUYGEYIIECV-QFBILLFUSA-N 415.243 3.772 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(cc1Cl)OCCO2 587545014 FYNXENCLWVLSNO-OXQOHEQNSA-N 411.797 3.915 0 1 HHAF Cc1nn(C)c(C)c1[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587718040 HNKHOUUTVLNKQL-WNWIJWBNSA-N 402.258 3.981 0 1 HHAF COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@H](C)Cc2ccc(F)c(Br)c21 587746436 MWLIMTNRQCUSOY-YERPZDBWSA-N 421.310 3.787 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1nc2ccccc2n1C 587868443 LJTPFJFXRCXHRH-UHFFFAOYSA-N 415.375 3.742 0 1 HHAF COc1ccc(F)cc1[C@]1(C[C@@H](C)CC(=O)O)c2ccsc2CCN1C(N)=O 962710044 LEGKLNUSQPXYMI-YUNKPMOVSA-N 406.479 3.577 0 1 HHAF CCOC(=O)[C@@]1(c2cc(OC)cc(OC)c2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962947500 NRIFUOLRQPEUBH-GYCJOSAFSA-N 408.498 3.916 0 1 HHAF COc1ccc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cn2)cc1 963238418 YUJWELBHPVWAAQ-ZEQRLZLVSA-N 411.461 3.994 0 1 HHAF O=C(c1ccc2nc[nH]c2c1)N1CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 1857597156 IHQIUAARCNHMDZ-QFIPXVFZSA-N 424.504 3.659 0 1 HHAF Nc1ncnc2c1c(-c1ccc(N3CCCC3)nc1)nn2[C@@H]1CCc2ccccc2C1 1857644062 CBJUIGMSVPUZKL-LJQANCHMSA-N 411.513 3.801 0 1 HHAF COc1ccc(N(C)c2ncnc3c2ncn3Cc2ccc(OC)c(OC)c2)cc1 1857644532 HEKKKRVYBIVPEN-UHFFFAOYSA-N 405.458 3.668 0 1 HHAF CCCCNC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1 199243170 CWWJEOPTTJOEMY-QGZVFWFLSA-N 406.404 3.603 0 3 HHAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 4043309 MKJQIVBKGTXYKS-GGAORHGYSA-N 421.472 3.935 0 1 HHAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](c2ccc3ccccc3c2)O1 13517501 WNAWDSJLRZSVNW-YKSBVNFPSA-N 409.482 3.940 0 1 HHAF COc1ccc(C2=NN(Cc3ccc(C(=O)O)cc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26507158 PVWGPCPZYAEPPN-OALUTQOASA-N 422.481 3.955 0 1 HHAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(CC2)CN(C/C=C/c2ccccc2)CC[C@@]314 29322792 SVFOKPBWCQSVPM-IBJAKTFOSA-N 401.506 3.673 0 1 HHAF COc1cc2c(c(O)c1OC)[C@H](O)[C@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 31897492 OIHLTMSXVOAYSE-VOQZNFBZSA-N 405.450 3.690 0 1 HHAF CN1CCC(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 38838312 SNLUJUXVFVOODX-UHFFFAOYSA-N 405.586 3.695 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCCCCn1ccnn1)[C@@H](c1ccc(Cl)cc1)C2 45388865 ACGWDXHPVXMSNJ-BQJUDKOJSA-N 416.953 3.912 0 1 HHAF CCc1csc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1 49808511 ZTFCBYGXEPFXMG-SFHVURJKSA-N 422.572 3.648 0 1 HHAF COc1cccc(CN2c3nccc[n+]3C[C@@]2(O)c2ccc(Cl)c(Cl)c2)c1 72112732 GAYXMJQUIDMIBB-HXUWFJFHSA-N 403.289 3.550 0 1 HHAF O=C(Cc1ccccc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72141327 FMLVPBKDWXMDJI-DEOSSOPVSA-N 422.479 3.668 0 1 HHAF O=C(O)Cn1c2c(c3c(F)cc(F)cc31)CCN(CCc1ccccc1)C2=S 73197725 JJLUUGUBZKQIFM-UHFFFAOYSA-N 400.450 3.780 0 1 HHAF O=C(NCc1ccco1)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 82081714 WTTYVNLYJHCIBT-UHFFFAOYSA-N 407.451 3.856 0 1 HHAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CC[C@@H](c3ccccc3)C2)C1 145044678 YMMSBQRMKGESMZ-GOSISDBHSA-N 424.508 3.586 0 1 HHAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3cccc(C(N)=O)c3)nn3ccnc23)n1 207342546 CFXIADKHNMLFNX-OAHLLOKOSA-N 413.485 3.623 0 1 HHAF Fc1cnccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1 299860698 GZBBGJRQPGJEEE-FQEVSTJZSA-N 416.460 3.742 0 1 HHAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586929532 FGNIQZYEAYRBRB-UHFFFAOYSA-N 423.494 3.677 0 1 HHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 586935962 KKSSIVSMBVJHIY-SNVBAGLBSA-N 423.336 3.773 0 1 HHAF CCOC(=O)C(C(=O)OCC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587107727 URBBHIJPIRNZOL-UHFFFAOYSA-N 403.434 3.964 0 1 HHAF N[C@H](N=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587118455 NEKRFQLIKKHBKZ-CYBMUJFWSA-N 417.189 3.507 0 1 HHAF CC(=O)N1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587334970 GGJUACLNFZRPHR-XUZZJYLKSA-N 417.392 3.679 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2Cn1cncn1 587582818 RFKRYBOBJDLVOP-ITSWEJNFSA-N 405.454 3.965 0 1 HHAF COC(=O)c1cc(OC)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599170 DDMCICOYLNKKOT-DENIHFKCSA-N 406.390 3.890 0 1 HHAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C 587632598 LGJZJFRYXXANFY-UHFFFAOYSA-N 406.797 3.710 0 1 HHAF CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587766707 WNAUIQZVYJTUEF-BLVKFPJESA-N 424.314 3.536 0 1 HHAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)O)c1 587789843 DAUABEYYURHCLB-GIGQVBGESA-N 424.266 3.684 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(F)cc1S(C)(=O)=O 587868547 OCBVFOPZIOHCRL-UHFFFAOYSA-N 415.368 3.504 0 1 HHAF COc1ccc([C@]2(C)NCCc3cc(C)c(F)cc32)cc1CSc1nncn1C 962381241 XTVGKHBPEXGMEE-QFIPXVFZSA-N 412.534 3.973 0 1 HHAF CC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962637265 RBGRUTFDTFFBSZ-GCKAQTDUSA-N 407.388 3.653 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033687 UEYOCPWPYPUGDK-QKVFXAPYSA-N 419.308 3.853 0 1 HHAF COc1ccc2c(c1OC)[C@H](CCc1cnoc1)N(C(=O)c1ccccc1N)CC2 963143725 TWCGSFROIWJNTM-IBGZPJMESA-N 407.470 3.646 0 1 HHAF Cc1cc2c(cc1O)[C@@](c1cccc(F)c1F)(c1ncccc1C)N[C@H](C(=O)O)C2 963521842 CRTMAWPOTZKKCZ-MBSDFSHPSA-N 410.420 3.573 0 1 HHAF COc1cc2ncnc(Nc3cccc(NS(=O)(=O)CC(C)C)c3)c2cc1OC 1772654190 BWANTCRFXHZAAW-UHFFFAOYSA-N 416.503 3.788 0 1 HHAF C[C@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 61904535 OIPGJFUDTMWDRC-JOCHJYFZSA-N 416.518 3.889 0 3 HHAF COc1ccc(CNc2nc(I)nc3c2ncn3C(C)C)cc1 13834619 PLSSLVATCDUZNW-UHFFFAOYSA-N 423.258 3.633 0 1 HHAF CCO[C@@H]1O[C@@H]2c3cc(OC)c(OC)cc3CCN(C)[C@H]2c2ccc3c(c21)OCO3 15257549 RKQVXLPPJBJDNJ-QZNHQXDQSA-N 413.470 3.768 0 1 HHAF biogenic Cc1cc2c(cc1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2 27426293 SRWRQPQMXBCFIH-DENIHFKCSA-N 413.495 3.757 0 1 HHAF O=c1[nH]c2ccc(Cl)cc2n1C1CCN(C[C@H]2COc3ccc(F)cc3O2)CC1 27903360 JZDFRIMIAKWZLR-INIZCTEOSA-N 417.868 3.599 0 1 HHAF CC(=O)N[C@@H](CCN1C[C@H]2CN(C(=O)c3c(C)cccc3C)C[C@H]2C1)c1ccccc1 35836872 YJERRNADFBSBJV-VXNXHJTFSA-N 419.569 3.575 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(OC[C@@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 36381908 MTYSPTUPQCBBJA-DMJCMNNJSA-N 403.478 3.724 0 1 HHAF O=C([C@@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)CN1)N1Cc2ccccc2C1 40845111 IJJMFWDKXXPQOS-FTJBHMTQSA-N 411.549 3.962 0 1 HHAF O=C(Nc1ccnc(N2CCCN(Cc3cccc(O)c3)CC2)c1)c1ccc(F)cc1 45302391 WENANZHMUDLVTO-UHFFFAOYSA-N 420.488 3.891 0 1 HHAF CC(C)(C)OC(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72102817 SMONWSZCPIORLD-IBGZPJMESA-N 404.461 3.833 0 1 HHAF CCOC(=O)CN1C(=O)[C@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 72121427 HZRMDFYIUZHUDP-CPJSRVTESA-N 421.493 3.744 0 1 HHAF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073306 SPBWIVRTTWNUAA-SFHVURJKSA-N 402.516 3.775 0 1 HHAF COc1cc2nc(N3CCC(O)CC3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82126087 SIVHOJCDOPGJTP-INIZCTEOSA-N 422.529 3.824 0 1 HHAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(F)cc(F)c3)cc21 95561647 ZUFMODSSQQYTAR-QGZVFWFLSA-N 417.408 3.794 0 1 HHAF COCc1cc(SCC(=O)Nc2ccc(C(=O)O)cc2)nc(-c2cccs2)n1 101682386 RUKXUDFBPXKQKF-UHFFFAOYSA-N 415.496 3.781 0 1 HHAF O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CC[C@H]3N1 113222308 QBZDRCQBGMITBW-MGPUTAFESA-N 416.456 3.781 0 1 HHAF Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)c2)c1 169305517 OITVFZXFBDIOLE-DRYZZIBHSA-N 404.466 3.692 0 1 HHAF Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N(C)C)ncnn12 169697404 UXZUQMRCSXERSI-UHFFFAOYSA-N 401.396 3.585 0 1 HHAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc(Cn2ccnc2)c1 169714437 MCEBJZPEYPCIEE-FPOVZHCZSA-N 409.486 3.506 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C 194865005 VDMGYZRQGVMXIO-BTHPGYMESA-N 418.562 3.613 0 1 HHAF Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 220719111 ZNGHVNJLGWUYEA-LNLFQRSKSA-N 404.470 3.821 0 1 HHAF Nc1ncc(-c2ccc(NC(=O)c3cccc(I)c3)cc2)[nH]1 299836408 ZWKOAZLNVPHGIW-UHFFFAOYSA-N 404.211 3.516 0 1 HHAF O=C1NC2(C(=O)N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1-c1ccccc12 299852423 RWHDRHNGMXUMDU-UHFFFAOYSA-N 424.865 3.505 0 1 HHAF Cc1cc2nc(C[C@H](C)NC(=O)c3ccc(-n4cnnc4)cc3Cl)[nH]c2cc1C 299867986 ZAZLBBAPKPQXIP-AWEZNQCLSA-N 408.893 3.775 0 1 HHAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C3(O)CCOCC3)[nH]c12 586912801 GTKKJMXQDXRGBG-UHFFFAOYSA-N 423.366 3.971 0 1 HHAF O=S(=O)(O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976376 OUTPGTFPEXDCGN-UHFFFAOYSA-N 417.668 3.805 0 1 HHAF Brc1c[nH]c2nc(-c3csc(Nc4cccc5ncccc45)n3)nc-2n1 587017965 QKKAPZVLJZPISX-UHFFFAOYSA-N 424.287 4.482 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587068730 CKDIOAHFRJJURA-UHFFFAOYSA-N 405.907 3.672 0 1 HHAF COc1ncc(F)cc1-c1nc2c(Br)ncc(Br)c2[nH]1 587175415 DCARGGFZRRJCMW-UHFFFAOYSA-N 402.021 3.693 0 1 HHAF Cn1c2c(ccc1=O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341142 VJBAWBBGNWRGSL-UPVQGACJSA-N 405.425 3.821 0 1 HHAF CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422312 SZPIGXKUFMXUBH-FOIQADDNSA-N 406.356 3.920 0 1 HHAF COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426905 AOIQBLFFHHSTTK-IATAILRESA-N 405.491 3.521 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)O)c(OC)c1)CC2=O 587481853 IGAWTRZQRCOFFA-BLVKFPJESA-N 400.427 3.912 0 1 HHAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(=O)O 587597761 WCKBOFMTONFUFC-NFBKMPQASA-N 422.389 3.567 0 1 HHAF COCCn1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587759835 WBUFKKZCDFJXNC-NSPYISDASA-N 410.331 3.846 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 587779325 QWVOMKWXWPNZRJ-AYLIAGHASA-N 421.266 3.501 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 587834324 RLVPUYGHIWEJHM-RVSFGVKLSA-N 408.267 3.504 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNC(=O)c1ccco1 587864722 NRCGSTJRYRFILI-UHFFFAOYSA-N 407.348 3.631 0 1 HHAF CC(C)(C)[C@]1(Cn2cccn2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924945 OXKXDOSCKYWDGH-XUZZJYLKSA-N 421.497 3.922 0 1 HHAF Cn1cc(-c2ccc(C(F)(F)F)cc2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc21 1857654084 BNBBUQXDNHCURU-UHFFFAOYSA-N 414.380 3.693 0 1 HHAF O=C1N(Cc2ccc(F)cc2)C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12 2356302322 RMNBOMDOKHTDQE-IBGZPJMESA-N 407.411 3.967 0 1 HHAF O=C(O)C[C@H]1CCN(C(=O)C2CCCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302637 JYZAMTAOORLKMR-HZPDHXFCSA-N 401.482 3.764 0 1 HHAF COCC(=CC(C)=CCOc1c(OC)cc(C=CCO)cc1OC)CC(C)(C)O 2356776088 DFXCOBVZELPWHS-UHFFFAOYSA-N 406.519 3.768 0 1 HHAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccccn2)n1 2356874949 ZXHSRBANEOTCCE-DFQSSKMNSA-N 405.571 3.876 0 1 HHAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(-c2ccccc2)cc1 7551158 UVHQDVPRCGNAJY-NRFANRHFSA-N 408.454 3.732 0 3 HHAF CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 61903448 PONZCJKRTLJFLS-DEOSSOPVSA-N 417.465 3.876 0 3 HHAF COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCO4)ncnc2c1 14949415 MKPLAMMDMLMBRI-UHFFFAOYSA-N 408.458 3.584 0 1 HHAF N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccs3)c2=O)cc1 25412912 VQFVZYTYOIMQEU-AEFFLSMTSA-N 401.491 3.708 0 1 HHAF biogenic CCCCOP(=O)(OCCCC)OCN1C(=O)[C@H](CC(C)C)CS1(=O)=O 27626371 GXHVDOIYIMBJBN-OAHLLOKOSA-N 413.473 3.536 0 1 HHAF COC[C@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O 49066796 HNXLTRKVCREKER-GFCCVEGCSA-N 400.813 3.543 0 1 HHAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccncc3)C2=O)CC1 64548935 QRYUISZNMDTTDA-UHFFFAOYSA-N 418.541 3.944 0 1 HHAF CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O 82070200 IOYMUOGZYBAROU-GFCCVEGCSA-N 423.313 3.619 0 1 HHAF COc1ccc(C(=O)NCCc2ccccc2)cc1C(=O)NCCc1ccccc1 95576231 VVOIFKHXVVKTFD-UHFFFAOYSA-N 402.494 3.640 0 1 HHAF O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 95873259 MJXRCPXBIJRDBA-SDHSZQHLSA-N 419.569 3.690 0 1 HHAF OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 95874611 OCNSDTKZVINVFB-TWJOJJKGSA-N 414.553 3.568 0 1 HHAF C[C@H](CC(=O)C1CC1)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1 96172916 LWGHUOXXRZLCHY-CYBMUJFWSA-N 416.319 3.979 0 1 HHAF CC(C)(CO)c1ccc(Nc2nc(Nc3cccc(OCCO)c3)ncc2F)cc1 114329688 NJDLPKXKAHUHHC-UHFFFAOYSA-N 412.465 3.744 0 1 HHAF N=C1ON=C(N)[C@@H]1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 137854263 KMUPFVBEIFIZQB-HOCLYGCPSA-N 404.253 3.961 0 1 HHAF C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1C1CCCCC1 143831988 PDCUQVZWLFORRN-MRXNPFEDSA-N 409.534 3.518 0 1 HHAF CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@H]1CCCNC1 168217890 RRLGPXVRIYOXIU-KRWDZBQOSA-N 413.566 3.829 0 1 HHAF in-vitro COc1cc(N2CCC([C@H](O)Cn3nc(C(F)(F)F)nc3C)CC2)ccc1Cl 168302474 ZWZBDOJNJCRALN-OAHLLOKOSA-N 418.847 3.545 0 1 HHAF Cc1ccc(NS(=O)(=O)N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1 169351023 RNIFDTRHVOJCCS-MRXNPFEDSA-N 400.884 3.718 0 1 HHAF Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1 169707709 ANGHMRGMUDZZDS-UHFFFAOYSA-N 414.469 3.523 0 1 HHAF Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@@H]2c2ccc3c(c2)OCO3)cc1 299834623 BQQUXECVVCRHDK-CQSZACIVSA-N 412.389 3.778 0 1 HHAF O=C(Cn1ccc(=O)n(Cc2cccc3ccccc23)c1=O)Nc1ccccc1Cl 299858105 QKMZADHMGOOKGW-UHFFFAOYSA-N 419.868 3.504 0 1 HHAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 586930200 NXYQFWJOIACNSX-UHFFFAOYSA-N 409.467 3.890 0 1 HHAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(F)cnc(Cl)c2[nH]1 586946389 WUVPGPWIBQBEIP-UHFFFAOYSA-N 412.855 3.550 0 1 HHAF CCC1=C(C)N[C@@H]2c3nc4ccc(O)c5c4c(c3CCN2C1=O)-c1ccccc1C5=O 586989233 BZKYXSLPPRZXKG-DEOSSOPVSA-N 411.461 3.822 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 587031919 QKKXAJXLNDZWKJ-RGEMTFFCSA-N 400.533 3.854 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](COC1CCN(C(=O)OCc3ccccc3)CC1)O2 587393354 GXUMTSRJHKOMBD-LJQANCHMSA-N 424.497 3.729 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)c3cc(F)c(F)cc31)CC2=O 587470722 HIVDOQPRHJVNOS-FQEVSTJZSA-N 408.422 3.661 0 1 HHAF COC(=O)c1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595367 RKGZUMHYAYWDMH-KNQAVFIVSA-N 406.390 3.890 0 1 HHAF CCn1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587764436 PXFHLRKPHWRZAP-FGUZWQGDSA-N 407.331 3.658 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccoc3)CC2)N1 587768867 MXVDWIFPSMITBJ-LBPRGKRZSA-N 407.283 3.847 0 1 HHAF O=S(=O)(NC1CCCC1)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587875177 HHTHXNWLYAXSKI-UHFFFAOYSA-N 400.435 3.400 0 1 HHAF CC(=O)N(C)c1cccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697914 BZCMIUGOPFVMJF-UYAOXDASSA-N 424.394 3.690 0 1 HHAF 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COc1cc2c(cc1OC)C(=O)[C@H](CCCCN[C@@H]1CCCc3[nH]c(=O)ccc31)C2 95581267 FPPCSQYNOOZECN-DNVCBOLYSA-N 410.514 3.585 0 1 HHAF CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)c(CC(C)=O)c(C)nc12 95588173 YKIIGJHKGIGANO-UHFFFAOYSA-N 422.529 3.564 0 1 HHAF CN(C)C(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003791 XDGNQKXOARCENX-UHFFFAOYSA-N 412.291 3.620 0 1 HHAF O=C(NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cscn1 587027494 DWODYMWULDLMJM-UHFFFAOYSA-N 421.198 3.611 0 1 HHAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(O)nc(N)nc5[nH]4)c23)cc1 587037233 BXAYMXPZYZIBAZ-UHFFFAOYSA-N 421.511 3.913 0 1 HHAF O=C1CSC[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)N1 587042706 DPQLGJDNDJTSOL-HNNXBMFYSA-N 418.316 3.809 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587126110 VHBOIYWUQXFTAE-YMTOWFKASA-N 413.425 3.528 0 1 HHAF Nc1nccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587179054 PRMFNHKZHYBKFA-UHFFFAOYSA-N 404.133 3.831 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC(O)CC1 587236914 HLMMBQPRMXNORC-UHFFFAOYSA-N 401.294 3.920 0 1 HHAF COC(=O)Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587590949 DRWUCRUVKRNBCJ-OFNKIYASSA-N 406.390 3.516 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3Cc4ccccc4N[C@H]32)N1 587791278 KZBZNRRIELRCLX-TVNIXMEMSA-N 402.311 3.975 0 1 HHAF CCOC(=O)C[C@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851245 BMCPSOPAUHUJMZ-BTDLBPIBSA-N 413.312 3.776 0 1 HHAF OC[C@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 653668902 WUUBEMISODLBSH-SFHVURJKSA-N 408.571 3.889 0 1 HHAF COc1cc2c(cc1[C@H]1NC3(CC3)Cc3ccc(Br)cc31)OCCO2 961616935 SFUGAGBYDNWQPE-IBGZPJMESA-N 402.288 3.997 0 1 HHAF CC[C@H](C)C(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 1857540193 RBQSRABBKGDQFV-CEDSYBQESA-N 420.590 3.891 0 1 HHAF N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 1857630050 GSKIEMCFCQSCTJ-KXMWUTRISA-N 404.602 3.993 0 1 HHAF COC(=O)[C@@]1(C)[C@H]2CC[C@@H]3[C@@H](C)c4ccoc4C[C@H]3[C@@]2(C(=O)O)CC[C@H]1OC(C)=O 2356486437 RZUPNWIKIOESCU-BYVXUCJNSA-N 418.486 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C[C@H](C(=O)O)n1cc([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963031539 RBNMGORSPSQBKT-FENDNCTDSA-N 403.482 3.604 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCC13CCOCC3)N(C(=O)c1ccccc1N)CC2 963163147 ZOMYIWMJGRAKEO-RUZDIDTESA-N 422.525 3.770 0 1 HHAF CNC[C@H](O)CN1CCc2c(cccc2OCc2ccc(-c3ccccc3)cc2)C1 1857555207 JWUOHCNXVITZDK-DEOSSOPVSA-N 402.538 3.871 0 1 HHAF Cc1c(C(=O)OCCCO)sc2[nH]cnc(=Nc3ccc(F)cc3OC(C)C)c12 1857603559 KHLXKEPWROXOFT-UHFFFAOYSA-N 419.478 3.631 0 1 HHAF CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2cccnc2)c2c[nH]nc2c1 1857605754 OFYNYVHMYAQAHK-UHFFFAOYSA-N 412.446 3.833 0 1 HHAF CCCCC(=O)/N=c1\c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3 1857615176 HCFZHPQODZCSPZ-OCOZRVBESA-N 418.449 3.939 0 1 HHAF CCC[C@@H](NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)cc1 1857743709 MWZRERWJQYQMFR-CQSZACIVSA-N 408.380 3.990 0 1 HHAF Cc1ccc([S@](=O)(=NC(N)=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 1911573783 AVOYRABFZKZGNN-LJAQVGFWSA-N 412.515 3.615 0 1 HHAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@](N)(CCCO)C2 2356294297 STTSAMAMJQQJKW-ZSNMEUPSSA-N 401.595 3.661 0 1 HHAF C[C@@H]1CCCC=CC=C[C@H](O)C[C@@H](O)CC=C[C@H](O)C=CCC=CC=CC(=O)O1 2356747018 JIYRVNYCTITQSJ-LUKWVAJMSA-N 402.531 3.692 0 1 HHAF COC(=O)c1ccc([C@@]2(C)CCCC(C)(C)C2)c2c1CN(CC(=O)O)C(=O)[C@H]2C 2356796026 MSTQSHIHGIEVOX-PSLXWICFSA-N 401.503 3.861 0 1 HHAF CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 1551826 AMJHXTWLUCVTRC-SFHVURJKSA-N 403.486 3.620 0 1 HHAF CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N21 1656457 VBTVHUMUVXSSRB-VSKRKVRLSA-N 412.493 3.595 0 1 HHAF CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)nc2c1 4965487 QHENIWDDCSMSFJ-YDHLFZDLSA-N 410.561 3.654 0 1 HHAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C(=O)c1c[nH]c2ccccc12 28569339 APLWPPYHHVPQKU-UHFFFAOYSA-N 415.537 3.837 0 1 HHAF O=c1oc2ccccc2c(O)c1C(c1ccc[nH]1)c1c(O)c2ccccc2oc1=O 29058750 IDIXZPQYEJJRLZ-UHFFFAOYSA-N 401.374 3.819 0 1 HHAF O=C(Cc1cccc(O)c1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 40812614 YXULOUNQUVLJRQ-UHFFFAOYSA-N 419.481 3.532 0 1 HHAF Cc1n[nH]c2cc(Nc3ccnc(Nc4ccc(CN5CCOCC5)cc4)n3)ccc12 45188928 BSLLZRQRTIILOY-UHFFFAOYSA-N 415.501 3.981 0 1 HHAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(c1ccccc1)C(F)(F)F 73170133 RLDJZGNASCLVON-WOJBJXKFSA-N 408.372 3.802 0 1 HHAF Cc1nc2ccc(CN3CCC[C@H](O)C3)cc2n2c(-c3ccccc3Cl)nnc12 95595658 YCWMKHFHOBOJHS-INIZCTEOSA-N 407.905 3.863 0 1 HHAF F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 96175050 MIOMGNNEGLSKDE-PKOBYXMFSA-N 403.461 3.901 0 1 HHAF CN1C(O)=C(C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3cc2S1(=O)=O 100997565 ZGRBVAQDVYNZGI-UHFFFAOYSA-N 414.870 3.993 0 1 HHAF COc1ccc(-c2c(NC(C)=O)noc2-c2cc(OC)c3c(c2OC)OCO3)cc1 103265709 KMMWRVGSXSMUQV-UHFFFAOYSA-N 412.398 3.722 0 1 HHAF Cc1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1N1C(=O)c2ccc(Cl)cc2C1=O 103971591 CQTMVJNJTBELJP-IYBDPMFKSA-N 420.852 3.905 0 1 HHAF COc1ccc(Nc2ncc([C@H](O)C(C)(C)C)cc2-c2nc(C)nc3[nH]cnc23)cn1 113148396 XWMZQMMELKTFFV-IBGZPJMESA-N 419.489 3.950 0 1 HHAF c1cc(C2=NCCCN2)ccc1OCCCCCOc1ccc(C2=NCCCN2)cc1 143824502 KPYLNHFSSDNDFO-UHFFFAOYSA-N 420.557 3.795 0 1 HHAF in-vitro CC1(O)CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1 147319329 JCRTTZHMBRJNGH-UHFFFAOYSA-N 411.469 3.587 0 1 HHAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@H](C#N)c2ccc(Cl)cc2F)CC1 207081808 WNAZGHKRUVTSKH-INIZCTEOSA-N 410.902 3.527 0 1 HHAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1C[C@H](O)[C@H](O)C1 261119181 JHZHLPIBCPQAJX-ILKSOTCGSA-N 402.454 3.530 0 1 HHAF CC(C)(C)CC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 299812767 RHYRXROSVKTLCJ-IGNHKYCGSA-N 423.553 3.642 0 1 HHAF C=CC(=O)Nc1ccccc1N=c1[nH]c(N[C@H]2CC[C@H](N(C)C)CC2)ncc1Cl 474606057 HCOPILQSMBILTC-SHTZXODSSA-N 414.941 3.705 0 1 HHAF COc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1F 586945179 APTXTSILAPCIEH-UHFFFAOYSA-N 407.448 3.511 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc3ncccc3c2[nH]1 586964953 GTHPVZJYHYIKOY-UHFFFAOYSA-N 404.503 3.568 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(F)(F)F 587091087 BBHASPCDOLOJGI-IBGZPJMESA-N 404.392 3.611 0 1 HHAF COC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1OC 587120572 PIKODTSTFUKAPZ-UHFFFAOYSA-N 408.258 3.786 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c(F)c2)c1 587147017 FSWPZAFKMGHMDQ-UHFFFAOYSA-N 405.385 3.842 0 1 HHAF CCOC(=O)Oc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587277085 YZAONDKWPKNHIO-UHFFFAOYSA-N 420.215 3.849 0 1 HHAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Cl)c(Br)cc41)[C@@H](C2)C3=O 587420433 WOSWEHYDKDTIBY-YPMLDQLKSA-N 420.646 3.706 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(C)cc4nc1N1CCOCC1)[C@@H](C2)C3=O 587445285 UBVWALZMMWIXRO-UUOWRZLLSA-N 416.477 3.877 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CCn1cncn1)(c1ccc(OC)cc1)CC2=O 587474248 DIUFNXMAKAEMBF-QHCPKHFHSA-N 407.470 3.896 0 1 HHAF COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517215 JHUFWEVRWPMMDK-BKMJKUGQSA-N 419.521 3.965 0 1 HHAF COc1ccc2c(c1)OC=C(N)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587744008 FVUJTUDEQSEDLF-GIGQVBGESA-N 405.267 3.567 0 1 HHAF CCNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587752698 FECLIMJISIPDEV-ODXCJYRJSA-N 421.310 3.727 0 1 HHAF CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587761710 CKPBUNJKHKOJBZ-HXPMCKFVSA-N 424.314 3.536 0 1 HHAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCOCC3CC3)[nH]c2c1 587783228 JAGBBYQBCXTCCY-UHFFFAOYSA-N 405.907 3.986 0 1 HHAF COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812375 ZSBRDRDQBFIDKC-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)s2)N1 587851493 WTHPUXVLNFXEKI-ANRSDYALSA-N 404.326 3.677 0 1 HHAF COc1ccc2c(c1)[C@](C)([C@@H]1C(=O)c3cccc4c3N(CC4)C1=O)N(C(C)C)CC2 962042672 JAYOAXFTYRDFTJ-PXDATVDWSA-N 404.510 3.579 0 1 HHAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3C2CC2)N1 962701457 QYSFXTHRQHLTQA-ISSFYVENSA-N 412.427 3.818 0 1 HHAF COc1cc2c(cc1OC)[C@H](c1cccnc1C)N(C(=O)c1ccccc1N)CC2 963148248 YTQWXTNZWYHJBS-QHCPKHFHSA-N 403.482 3.777 0 1 HHAF Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccccc3)CC2)n1 1772572218 RMLGDXMULTYVKN-UHFFFAOYSA-N 410.953 3.754 0 1 HHAF N[C@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ncccc45)c3c2)C1 1857645064 DNAOYMQGESKHSQ-GJZGRUSLSA-N 400.486 3.733 0 1 HHAF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C=Cc1c[nH]c2ccccc12 2356479682 ZPBZNCYZXLJJKQ-QFIPXVFZSA-N 401.466 3.953 0 1 HHAF CO[C@@H]1OC(=O)C=C1CC[C@]1(O)[C@H](C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C 2356559338 GUYCSTKDTXJMPS-PUDKGGOHSA-N 408.535 3.758 0 1 HHAF CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 13660703 KTVAFYJJTHCQRJ-GPNNCHTKSA-N 405.285 3.628 0 3 HHAF O=C(NCc1ccccc1)c1csc(N2CCN(CCc3ccccc3)C2=O)n1 205231231 TUKRMCOIXKBBKE-UHFFFAOYSA-N 406.511 3.558 0 3 HHAF COc1cccc2cc(C(=O)NCc3ccco3)c(=Nc3ccc(C(=O)O)cc3)oc12 263591575 BUOBSGZMXVBHPP-UHFFFAOYSA-N 418.405 3.895 0 3 HHAF COc1cccc(-c2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)c1 6781199 RKKIQNASXMHKON-UHFFFAOYSA-N 400.413 3.907 0 1 HHAF Cc1ccc(F)c(Nc2cc(Nc3ccc(OC[C@@H](O)CN(C)C)cc3)ncn2)c1 13538037 RCBOIPKMQXPOTA-KRWDZBQOSA-N 411.481 3.713 0 1 HHAF CC(C)[C@](O)(Cn1cncn1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 26009518 BGVBEHUAEVCURQ-LJQANCHMSA-N 406.313 3.908 0 1 HHAF O=C(CCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1)Nc1ccccc1Cl 26747916 WQVJTUMDMQJVMG-MRXNPFEDSA-N 408.933 3.892 0 1 HHAF CC(C)(Cc1ccc(C(C)(C)C)cc1)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 45253022 SKZDPAAFWZKONG-LJQANCHMSA-N 412.530 3.665 0 1 HHAF Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 72181020 OTHVLUVJALFSAG-UHFFFAOYSA-N 410.521 3.970 0 1 HHAF CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3ccc(F)cc3F)nn2)ON1C 73389228 VKEFRYRRJCFZPZ-HZPDHXFCSA-N 402.338 3.581 0 1 HHAF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1)N1CCOCC1 82139348 MLJFLMVUFINALJ-UHFFFAOYSA-N 424.451 3.549 0 1 HHAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H]1CO 95878735 BKTNQFPVSPQVST-IPELMVKDSA-N 407.352 3.730 0 1 HHAF COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3nncc-3c2O)cc1 103934206 VVGLSIYCJBNLNW-UHFFFAOYSA-N 421.482 3.521 0 1 HHAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@@H]3C2)n1 116824077 HVESSTMOZKWUSV-NHCUHLMSSA-N 410.521 3.873 0 1 HHAF C[C@H]1CC[C@H](Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1 118561259 NJSXHZBXICPOJY-HKUYNNGSSA-N 413.481 3.888 0 1 HHAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cccc21 143440817 WUSKXOZWVNSCIO-MRXNPFEDSA-N 416.428 3.669 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(c3ccc(F)cc3)C2)n1C 166301679 QLOCSQXNJJSRQH-KKSFZXQISA-N 413.522 3.673 0 1 HHAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 299875747 DKMGXGYXVWRENY-LZQZEXGQSA-N 402.466 3.696 0 1 HHAF COc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 586934657 COOSMHBRQYRUFQ-QGZVFWFLSA-N 419.572 3.961 0 1 HHAF O=C(O)c1cccnc1SCc1nc2cc(Br)c(F)c(F)c2[nH]1 586966962 NZCJLMAMNZOUAS-UHFFFAOYSA-N 400.204 3.989 0 1 HHAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 586979764 AJYNZHOMXYPCHN-UHFFFAOYSA-N 423.194 3.563 0 1 HHAF O=C(Nc1ccc(-c2nc3c(O)nncc3[nH]2)cc1)c1ccc(Br)cc1 586983603 FPIRQAJEZNWNRI-UHFFFAOYSA-N 410.231 3.740 0 1 HHAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)OCCO3 587000177 GKBSMZYODGYESS-ZDUSSCGKSA-N 413.275 3.820 0 1 HHAF Brc1c[nH]c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2n1 587016416 VMKBTJJMDQMTIP-UHFFFAOYSA-N 400.261 3.792 0 1 HHAF COc1cc(N)c(I)cc1-c1nc2ccc(F)c(F)c2[nH]1 587179468 XUSRPLRJGZJQGA-UHFFFAOYSA-N 401.154 3.704 0 1 HHAF COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(I)c1 587179799 GIVULGSLQDNLSQ-UHFFFAOYSA-N 420.132 3.604 0 1 HHAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 587344525 GXSYDEPYABMEHR-REWPJTCUSA-N 401.397 3.952 0 1 HHAF CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422651 POJCFIFTCLQWNP-FOIQADDNSA-N 406.356 3.920 0 1 HHAF C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O 587595897 POOAPSGAQQVRAS-PSMUNZOPSA-N 406.390 3.947 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cncn3)cc2)N1 587756773 FKWTUSHHXVPXKB-BUXKBTBVSA-N 401.283 3.967 0 1 HHAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 587932063 KDBDZIHVRXIYEW-UHFFFAOYSA-N 423.494 3.861 0 1 HHAF O=C(CN1CCCC1)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653729241 NXMMWOKYEAKRTP-OAQYLSRUSA-N 401.466 3.567 0 1 HHAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc3c(c2)C2(CC3)OCCO2)N1)C(F)(F)F 962760481 FGMUVELTGQUUML-RBUKOAKNSA-N 403.400 3.568 0 1 HHAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)nc3)C2)cc1 1772611809 DMQVNWDVOCKZFK-VGOFRKELSA-N 409.530 3.768 0 1 HHAF COc1ccc([C@H](OC(C)=O)[C@@H]2CO[C@@H](c3ccc(O)cc3)[C@@H]2COC(C)=O)cc1 2356553816 DYHAQSFWZZAXHU-LUKWVAJMSA-N 414.454 3.572 0 1 HHAF COc1ccc(C(=O)N(C)[C@@H](C)c2ccon2)cc1OC1CCN(C(C)C)CC1 12054695 KWVYQQIERBCGBT-INIZCTEOSA-N 401.507 3.768 0 3 HHAF C[C@H](NC(=O)c1ncn2c1c(O)nc1ccc(Br)cc12)c1ccccc1 61922157 PZUOKNPKVVNBPO-NSHDSACASA-N 411.259 3.842 0 3 HHAF O[C@@H]1[C@H](OC2c3ccccc3-c3ccccc32)[C@H](OCc2ccccc2)[C@@H]2OC[C@H]1O2 6010156 KUEWVVVFLSJBIJ-XMQSEMGDSA-N 416.473 3.843 0 1 HHAF O=C(O)CCCC[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1 13730308 VKSPBMJCOLSERQ-INIZCTEOSA-N 424.950 3.907 0 1 HHAF COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccco2)c1=O 25235617 KCXLGVNJDUXASG-CVEARBPZSA-N 405.454 3.768 0 1 HHAF biogenic O=C(CSc1nc2ccccc2s1)NC[C@H]1CCCN(Cc2nccs2)C1 28231632 BQQZZRPDNHIKAA-CQSZACIVSA-N 418.613 3.873 0 1 HHAF CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)NCc3cccnc3)s2)Oc2ccccc21 40874304 XZSDNYHHWDDDFV-SNTPLNSLSA-N 417.490 3.869 0 1 HHAF COc1cc(C(=N)NC(C)C)ccc1-c1cn(-c2cccc(C(=N)NC(C)C)c2)nn1 45285974 SQLWOJCEKPZGMJ-UHFFFAOYSA-N 419.533 3.590 0 1 HHAF CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OCCCCC(=O)O 45302570 IFBJOAYSYJLPCV-UHFFFAOYSA-N 400.523 3.771 0 1 HHAF Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1 73279194 DSVLRAFSVRGJNW-UHFFFAOYSA-N 412.559 3.792 0 1 HHAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N3C(=O)CC[C@@H]3C)c2)nc1 113544975 MDFWHNITPSMTGM-IRXDYDNUSA-N 415.497 3.853 0 1 HHAF CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C 118888556 WNQMRKSSTFTLSE-UHFFFAOYSA-N 410.421 3.928 0 1 HHAF Fc1cnc(-c2ccccc2C(F)F)nc1NC[C@@H]1CCN(c2cnccn2)C1 169305323 BBXDTCBGRMUDSM-ZDUSSCGKSA-N 400.408 3.949 0 1 HHAF CCCn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O 169729178 QMTCQHYBEKHBKC-UHFFFAOYSA-N 406.530 3.862 0 1 HHAF COC(=O)C[C@@]1(C)CC[C@]2(O1)C(COC(C)=O)=CC[C@@H]1[C@](C)(CO)CCC[C@]12C 238754775 HAGXKCYPEIDCHR-FHGIMWBPSA-N 408.535 3.556 0 1 HHAF CCOc1ccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc1OC 299834260 LCMZQAKWIPUXRR-XAISMOLKSA-N 416.606 3.931 0 1 HHAF O=C1CSC[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)N1 587042707 DPQLGJDNDJTSOL-OAHLLOKOSA-N 418.316 3.809 0 1 HHAF CN(C)C(=O)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587196930 CWWXEVGQAYLQAX-UHFFFAOYSA-N 408.355 3.604 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O 587420316 JPRAKBAVSHRSGJ-OXJNMPFZSA-N 417.383 3.631 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1I)[C@@H](C2)C3=O 587426741 FNFIHUHASUDFKA-SCLBCKFNSA-N 406.219 3.963 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(N)c(N)c21 587472834 NDXPGXRERFLTDE-VWLOTQADSA-N 414.461 3.963 0 1 HHAF CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 587552812 SOVBHVSLCCXQNB-JTSKRJEESA-N 407.809 3.879 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1c[nH]c2ccccc12)C(=O)O 587586787 DMIIFHQDFXAOID-YKSBVNFPSA-N 415.401 3.901 0 1 HHAF Cc1cc(Br)ccc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1CC(=O)O 587648561 INZPPXUQDKDXBL-UHFFFAOYSA-N 422.300 3.936 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ncn2C)N1 587679067 FAUPXVZHVTVVHN-JMCQJSRRSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 587732272 JDNXIFINHGVSGI-XTZNXHDOSA-N 405.246 3.672 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C 587827023 MSBHYFBZMWDAAR-JADMSFHCSA-N 424.310 3.798 0 1 HHAF C[C@]1(c2ccc(F)cc2S(C)(=O)=O)NC2(CC2)Cc2ccc(Br)cc21 961614278 KIIBVPBTGFLYDK-GOSISDBHSA-N 424.335 3.934 0 1 HHAF CCOC(=O)[C@@]1(c2ccc(OCC)cc2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962575026 VHTBWCSVPCNRBW-UPCLLVRISA-N 413.514 3.786 0 1 HHAF COc1ccc([C@@]2(COC(=O)c3cc(C)ccc3O)NCCc3c(C)ccnc32)cc1 963071561 JUUVWRLYMPFRPV-RUZDIDTESA-N 418.493 3.659 0 1 HHAF O=C(N[C@@H]1CCNC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772598073 RBQPBEFBSAOTPM-CQSZACIVSA-N 402.376 3.533 0 1 HHAF O=C(c1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1)N1CC[C@@H](O)C1 1772641447 ZUSDQEMTSHSGMZ-OAQYLSRUSA-N 410.477 3.808 0 1 HHAF CCN(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1 1857598101 BIKAYSQZWBYUEO-UHFFFAOYSA-N 416.587 3.741 0 1 HHAF COC(=O)c1ccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3cccnc32)cc1 1911583842 FPONECYOCMQDIA-UHFFFAOYSA-N 419.437 3.900 0 1 HHAF O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3c(=O)n2-c2cc(Cl)ccc21 61949269 MRGSFAXLHWLPOK-IBGZPJMESA-N 417.852 3.772 0 3 HHAF CCCCn1nnnc1[C@@H](CCSC)N1CCN(C/C=C/c2ccccc2)CC1 72134249 ZAVPZANOXMPZMP-OGECGYFKSA-N 414.623 3.598 0 3 HHAF CCCCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1 101549748 VFFWMOXBWBCXOT-UHFFFAOYSA-N 412.563 3.707 0 3 HHAF O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F 104012777 BTWNIZXDKWTDNT-WMZOPIPTSA-N 416.403 3.885 0 3 HHAF CCOc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 7005186 XBXAGUGSSVWFHK-UHFFFAOYSA-N 402.472 3.536 0 1 HHAF COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](c2cccc3ccccc23)O1 13517495 IADWXCHFXIXGKU-KOSHJBKYSA-N 409.482 3.940 0 1 HHAF COc1cc2c(cc1OC)CN([C@H]1CCCN(CCCOc3ccccc3)C1)CC2 22930480 AYOAQBIBJRBLRD-QFIPXVFZSA-N 410.558 3.995 0 1 HHAF O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@H](O)C1(c2ccccc2)CC1 28474794 ZBZBHMXLGJPNGB-UBGMWTFPSA-N 417.571 3.614 0 1 HHAF O=C1C(=O)N(CCc2ccccc2)c2c(Br)cc(Br)cc21 29058364 MDTDOBCNSKKVHR-UHFFFAOYSA-N 409.077 3.984 0 1 HHAF O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@H](O)Cc2ccc(F)cc2)cc1 36160087 ZSPAEDJDADQTKU-VXKWHMMOSA-N 413.489 3.831 0 1 HHAF COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(C(F)(F)F)cc3)O2)cc(OC)c1OC 40576080 HXERXLSEICPZLL-IBGZPJMESA-N 424.375 3.970 0 1 HHAF Cn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 45289080 CLBNKLILBCVMBG-UHFFFAOYSA-N 423.436 3.605 0 1 HHAF COC(=O)c1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O 73257547 ZWELOBCZTGMHRQ-UHFFFAOYSA-N 400.818 3.533 0 1 HHAF O=C(O)c1cncc(-c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)c1 82151490 NLBGEDDHWGMKDG-UHFFFAOYSA-N 410.861 3.938 0 1 HHAF CC(C)(C)OC(=O)N1CCC(CCCOc2ccc3c(c2)CCS3(=O)=O)CC1 84713965 MCSUHVXBTUZJGE-UHFFFAOYSA-N 409.548 3.823 0 1 HHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(Cc2ccccc2F)C3=O)cc1 95605066 NDOMBUMXHWBVLW-UHFFFAOYSA-N 424.453 3.731 0 1 HHAF CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@@H]1CO 95877784 FGOUXSFKWLFYFE-FGCOXFRFSA-N 417.484 3.902 0 1 HHAF COc1ccc(Nc2nc(-c3ccc4c(c3)NCCO4)cn3ccnc23)cc1OC 147165634 QELPVKBQGABXIA-UHFFFAOYSA-N 403.442 3.961 0 1 HHAF CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc21 169309883 IXCAEUMWYVWNPC-GDLZYMKVSA-N 408.454 3.512 0 1 HHAF CCCCS(=O)(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2ccc(Cl)cc2Cl)C1 169313594 NSXLSPLHCXZYTR-XGWLTEMNSA-N 419.374 3.564 0 1 HHAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@@]1(O)c1ccccc1)CC2 169361739 IGMRUXJGIQSJAC-MVERNJQCSA-N 422.544 3.952 0 1 HHAF O=C(CCN1CCCCC1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 197931439 JNBPKPIFCGTXKY-UHFFFAOYSA-N 415.501 3.830 0 1 HHAF COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 219042911 FENXDXHDXYVGRJ-BLVKFPJESA-N 424.888 3.939 0 1 HHAF in-vitro CCOc1ccc(-n2cc(COC(=O)/C=C/C=C/c3ccc4c(c3)OCO4)nn2)cc1 299862243 MSESHJKLPSWNDX-GGWOSOGESA-N 419.437 3.708 0 1 HHAF Clc1nccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1Br 586979458 NCORJRSFWMMWDQ-UHFFFAOYSA-N 407.699 3.873 0 1 HHAF CCOc1ccccc1[C@@](N)(c1nc2ccnc(Br)c2[nH]1)C(F)(F)F 587091078 AUTMMNBIRIQPRV-OAHLLOKOSA-N 415.213 3.884 0 1 HHAF O=S(=O)(c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1)C(F)(F)F 587154727 DNRDOCFOXPLQIY-UHFFFAOYSA-N 424.173 3.820 0 1 HHAF O=C(O)c1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347457 AXPPBYVBAXIFNQ-WMZHIEFXSA-N 422.364 3.569 0 1 HHAF CCOC(=O)C[C@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355512 DOJGNZSILAFPMP-XKCSPQBFSA-N 414.429 3.761 0 1 HHAF C[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590806 AUIGINFSSDAMMO-REWPJTCUSA-N 406.390 3.733 0 1 HHAF CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799936 VEPUJOXYSDNZKI-AGMRTUQYSA-N 412.299 3.640 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Br)c(C)nn1C 587869124 ABGZJKYCVNKQOE-UHFFFAOYSA-N 407.243 3.581 0 1 HHAF COc1ccc2c(c1OC)[C@H](c1c(Cl)nc(SC)nc1N(C)C)N(C)[C@H](C)C2 962570160 NMHXYOJJRLQLOA-BDJLRTHQSA-N 422.982 3.901 0 1 HHAF COC(=O)c1cccc(-c2cccc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)n2)c1 963026767 KGXUYCZLSIYJKW-XDHUDOTRSA-N 413.477 3.678 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCCC12CN(C(=O)OC(C)(C)C)C2 963629132 AEVKIHANLKWRQL-IQMFZBJNSA-N 402.535 3.854 0 1 HHAF COc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(C)cc4)CC3)n2)cc1 1857638688 NRISFSCFSOELJC-UHFFFAOYSA-N 417.513 3.936 0 1 HHAF O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 3995490 VWJCKJXYRBQCHE-YESZJQIVSA-N 408.292 3.692 0 1 HHAF O=C1NCCN1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1 13600919 FPFNLDJLMDWQNP-UHFFFAOYSA-N 404.489 3.884 0 1 HHAF COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(OC)ccc23)cc1 13742509 YKIRTWHNOVJCJN-UHFFFAOYSA-N 408.498 3.530 0 1 HHAF COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@@H](C)N[C@H](C)C2)c2ccccc2-3)cc1 13758968 CCORWJHDTBLOIY-IAGOWNOFSA-N 417.513 3.670 0 1 HHAF CC(/C=C/C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CCCCCCO 14824960 ZQYJKIOOBBBACO-SOQJQOGSSA-N 403.519 3.586 0 1 HHAF CC[C@@H](C)c1nc2c(CCCNC(=N)N)nc(-c3c[nH]c4ccccc34)cn2c1O 33369597 AVNJFDTZJJNPKF-CYBMUJFWSA-N 405.506 3.512 0 1 HHAF biogenic COc1cc2c(cn1)OC[C@]21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 43195163 UAGKOSVYQYDDOQ-HXUWFJFHSA-N 416.355 3.927 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(O)cc1 45289683 PHWQUBVNOCLQJQ-KRWDZBQOSA-N 411.936 3.968 0 1 HHAF Nc1nc(OC2CCN(c3cc(-c4cc5ccccc5s4)ncn3)CC2)ncc1F 49045817 GYKYTDOMNQHWOH-UHFFFAOYSA-N 422.489 3.917 0 1 HHAF O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCC(c2ccccc2)CC1 49067690 NJBBFTXVKZIPGS-CLJLJLNGSA-N 418.581 3.633 0 1 HHAF Cc1cccc2c1CN(C[C@H](CO)N1CCC(c3noc4cc(F)ccc34)CC1)C2 87722227 HTUYABQWSXGCMY-HXUWFJFHSA-N 409.505 3.831 0 1 HHAF COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)Nc1ccccc1 100406168 OZUYGRMDAUIGGV-WOIUINJBSA-N 421.497 3.598 0 1 HHAF O=C(Nc1ccc(OC2CCN(C(=O)C3CCC3)CC2)cc1)N1Cc2ccncc2C1 167714500 VSHQUTIHAMAHNH-UHFFFAOYSA-N 420.513 3.799 0 1 HHAF COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ncnc(N)c23)ccc1Oc1ccccc1 261150495 OUVSNIAXTVDCIH-GUJKFWMDSA-N 417.469 3.803 0 1 HHAF COC(=O)c1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587113542 PTEKYMOUXGEEFW-LJQANCHMSA-N 405.376 3.768 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 587730558 JKIOPHYWNCOZKF-UGZDLDLSSA-N 422.225 3.866 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 587859394 WNJBMCKEIIHTPP-INOFMYRCSA-N 423.307 3.663 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(c3ccccc3C(=O)c3cc(N)ccc31)N(C)[C@@H](C)C2 962628342 HFSMNKDJULNQFJ-HAWMADMCSA-N 414.505 3.999 0 1 HHAF CC(C)(C)[C@]1(c2ccc(C3OCCO3)s2)N[C@H](C(=O)O)Cc2cccc(F)c21 962901750 STZHADATHKNAJQ-LHSJRXKWSA-N 405.491 3.821 0 1 HHAF CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962927546 WCJZITWKKNYSQB-NTKDMRAZSA-N 415.578 3.787 0 1 HHAF Clc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)c(Cl)n1 1772587083 LBBCZEDNOMVQRU-UHFFFAOYSA-N 402.289 3.687 0 1 HHAF COc1ccc2c(c1)NC(=O)CN2c1nc(NCc2ccncc2)nc2ccccc12 1772610182 FEMWUUYWQROTBI-UHFFFAOYSA-N 412.453 3.736 0 1 HHAF CC(C)Nc1nc(N[C@H]2CC[C@H](NC(=O)[C@H]3CCCN(C)C3)CC2)c2ccccc2n1 1772628504 AZAPVPMFHPBOQQ-FHWLQOOXSA-N 424.593 3.631 0 1 HHAF Cc1nnc2sc(C(=O)N3CC(c4ccc(Br)cc4)C3)c(N)c2c1C 1857645096 NZEVOJLVPKNCAT-UHFFFAOYSA-N 417.332 3.892 0 1 HHAF COc1ccc2[nH]c(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1 1857656482 SEVMHMBWJUMZRY-UHFFFAOYSA-N 419.525 3.569 0 1 HHAF CN(C)CCn1cc(-c2ccc(O)cc2)c2c(N[C@H](CO)c3ccccc3)ncnc21 1857748583 OMBIJIVUYDZEDO-OAQYLSRUSA-N 417.513 3.511 0 1 HHAF CCOc1ccc(C(=O)c2cc(OC)c(OCC)c(OC)c2C(=O)OC)c(OC)c1 2356283874 FGOYSENLPHDMAW-UHFFFAOYSA-N 418.442 3.527 0 1 HHAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 2356638375 BHIJLFUQQABWNW-CQSZACIVSA-N 413.424 3.636 0 1 HHAF CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3ccc(CO)cc3[nH]2)CC1 5962993 OUNRDFKCBXJLCA-UHFFFAOYSA-N 421.545 3.617 0 1 HHAF CN(CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O 13758591 HZPMXBJBHJVLLP-UHFFFAOYSA-N 414.912 3.923 0 1 HHAF CCc1c(C(N)=O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 14954065 UMFUSRXYNCISOO-UHFFFAOYSA-N 411.469 3.532 0 1 HHAF COc1ccc([C@]2(Cc3ccncc3)CCN(C(C)=O)C2=O)cc1OC1CCCC1 27325891 OBECNAJNLSRUMV-XMMPIXPASA-N 408.498 3.671 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1OCc1ccc(C(=O)O)cc1 27868041 AWFBLPDWORGDCI-NRFANRHFSA-N 410.470 3.786 0 1 HHAF NCCCNCCCCNCCCNC(=O)N1c2ccccc2C=Cc2ccccc21 28705528 DKGDFKPMYBEJSV-UHFFFAOYSA-N 421.589 3.716 0 1 HHAF CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)NCc3ccncc3)s2)Oc2ccccc21 40395436 HVYNAGNDGYDQLT-ZQRGOCLVSA-N 417.490 3.869 0 1 HHAF CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccs2)n2nccc2N1 40411626 WGRSDLNYTVIJME-NRFANRHFSA-N 423.517 3.721 0 1 HHAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64446773 AGOMZXFWATVFOH-MDZRGWNJSA-N 407.520 3.515 0 1 HHAF CCCCOCCCNC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C 82069974 JKBGYJAWGOLOCI-FQEVSTJZSA-N 415.534 3.727 0 1 HHAF Cc1ncsc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 84634320 NJGLGYYRAPWMSC-UHFFFAOYSA-N 422.558 3.944 0 1 HHAF COc1ccc(Cl)cc1NC(=O)Nc1ccc(I)cn1 87612933 TWKKLPVCAVVANN-UHFFFAOYSA-N 403.607 3.992 0 1 HHAF COc1nc(N)c(Cl)cc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100909815 FUOUCUSWOTUMGM-IRXDYDNUSA-N 414.937 3.641 0 1 HHAF CCCCNC(=O)[C@@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C 136476797 PSNMYWMTDQWJRI-MRXNPFEDSA-N 412.563 3.753 0 1 HHAF Cc1ccc(OCC(=O)Nc2cccc(CCc3n[nH]c(=O)c4c3CCCC4)c2)cc1 168217134 ZTTBXNXDBSRNSI-UHFFFAOYSA-N 417.509 3.760 0 1 HHAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(C(F)(F)F)nc4)nn23)cc1 169306681 PQKBULWKDROOFG-UHFFFAOYSA-N 418.400 3.881 0 1 HHAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(n5cccn5)CC4)ncn3)c2c1 225556661 DNCFNZYZIXJWJN-UHFFFAOYSA-N 403.490 3.845 0 1 HHAF CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 261133272 LOOOARQIFZVUEX-VDYXNGCNSA-N 403.903 3.762 0 1 HHAF O=C1C[C@@H](Sc2c(F)c(F)c(F)c(F)c2F)N1C(=O)NCc1ccccc1 299855239 ATVRQBRZFTYRCV-SNVBAGLBSA-N 402.344 3.942 0 1 HHAF Brc1cnc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc12 586918606 PYGGDXFCCLVWLQ-JTQLQIEISA-N 411.053 3.995 0 1 HHAF O=S(=O)(O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013515 YYPCQHYVRYRINT-UHFFFAOYSA-N 400.279 3.573 0 1 HHAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587024955 CYOBOGJEQJLUBF-WBAXXEDZSA-N 424.526 3.881 0 1 HHAF CC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587118291 LCCLQPCTLJTHJN-UHFFFAOYSA-N 401.186 3.986 0 1 HHAF Brc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184979 OGOWFEXZTHWODA-UHFFFAOYSA-N 400.017 3.992 0 1 HHAF CC(C)[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198910 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DMFIGSKKOIDXMB-UHFFFAOYSA-N 411.531 3.900 0 1 HHAF NCc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1 225153006 BHOAQQIONKMFFB-UHFFFAOYSA-N 417.494 3.850 0 1 HHAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 253634506 PCALQRJKBBDAFN-RRZZWSPOSA-N 403.563 3.725 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OCCCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C2 253689005 LLAHJYBITWOMNU-MLCQCVOFSA-N 407.510 3.871 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCC3(CCC3)CC2)cc1F 261131186 LEVCKIBTLVCCSM-UHFFFAOYSA-N 403.903 3.908 0 1 HHAF Cc1cnc(Cl)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 586951540 XPNFNYHFHJHICC-UHFFFAOYSA-N 419.938 3.852 0 1 HHAF CC(C)Oc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 587024068 MSGJHMRVIVZABD-UHFFFAOYSA-N 408.487 3.835 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(OC)nc3[nH]2)c1 587050304 XSXLGFCTOLQPQD-UHFFFAOYSA-N 415.881 3.930 0 1 HHAF Fc1cc2[nH]c(-c3nccnc3I)nc2cc1C(F)(F)F 587186040 FHAVZJXMLIDYIG-UHFFFAOYSA-N 408.096 3.782 0 1 HHAF CC(=O)NCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570976 KENUOEXGPQCJTN-RCZVLFRGSA-N 417.461 3.948 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc[nH]3)c(=O)c3ccccc23)c(O)c1 587667900 UNFWEUCFRYMWIH-UHFFFAOYSA-N 402.454 3.632 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccccc3c2=O)N1 587747110 PDCLCGCLDJXQTB-VVVCHXIZSA-N 403.251 3.900 0 1 HHAF COC(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804124 AZTDJQFWBGCIHF-FKIZINRSSA-N 422.294 3.938 0 1 HHAF NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1 653702452 VARBZMKGVIDKRK-UHFFFAOYSA-N 404.904 3.794 0 1 HHAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cnc(-c3ccccc3)[nH]2)N1 962693683 GGXGDALMBZKNFC-RDJZCZTQSA-N 405.351 3.923 0 1 HHAF Cc1ccnc2c1CCN[C@@H]2c1[nH]c2ncc(I)c-2cc1Cl 963085753 HHRYPVWEPVPSHA-HNNXBMFYSA-N 424.673 3.711 0 1 HHAF Cc1cc2c(cc1O)[C@@](c1ccc(Cl)cc1F)(C(F)(F)F)N[C@H](C(=O)O)C2 963512638 XSRQFCYRDGJZBA-YOEHRIQHSA-N 403.759 3.898 0 1 HHAF O=C(O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1 1772640031 MEQWWRWUGFYEES-UHFFFAOYSA-N 413.242 3.597 0 1 HHAF Cc1csc2c1c(=O)n(CCc1ccccc1F)c(=O)n2CCC(F)(F)F 1857606559 SZYVLAPLNVYANX-UHFFFAOYSA-N 400.397 3.867 0 1 HHAF COc1c(/C=C/[C@@](C)(CO)OC)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 1857648000 SDYUGOSPMGYUOF-DORXLWPQSA-N 400.427 3.583 0 1 HHAF CCOc1ccc(F)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1857745143 FTGMQXCXCQTDBM-NSHDSACASA-N 400.859 3.627 0 1 HHAF C=C(NC(=O)C(C)=CC=CCCCCCC(C)C)C(=O)NC(=COC)C(=O)OC 2356626355 VCWYTXXFJMLXBV-UHFFFAOYSA-N 406.523 3.502 0 1 HHAF CCc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 5067031 IDDJIYMYYQIOEV-IBGZPJMESA-N 409.511 3.589 0 3 HHAF COc1ccc(/C=C/S(=O)(=O)NC2CCCC2)c(CNC(=O)OC(C)(C)C)c1 96020279 BZMIUGIXFHQFCY-VAWYXSNFSA-N 410.536 3.553 0 3 HHAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4053226 PVCDJTCVRRXCAW-XPNTWCBSSA-N 419.525 3.687 0 1 HHAF CCOC(=O)[C@H](C)Sc1nnc(COc2ccccc2OC)n1-c1ccccc1 5499763 IJHBOLYIWIMYFD-HNNXBMFYSA-N 413.499 3.899 0 1 HHAF COC(=O)[C@H]1[C@@H](c2ccc(Br)c(Br)c2)C[C@@H]2CC[C@H]1N2C 13642593 UWYWQPVLTBLACL-DRABBMOASA-N 417.141 3.951 0 1 HHAF CC[C@@H](CO)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794772 JCSNIDHKSKMRAH-ZDUSSCGKSA-N 419.327 3.588 0 1 HHAF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@H]1O 16953214 UFRYXHSGDCMKGK-YSTOQKLRSA-N 413.297 3.828 0 1 HHAF COc1ccc(OC)c(C(=O)Cn2c(=O)n(Cc3ccccc3)c3ccccc32)c1 26730179 DVYMLGHKZSVENC-UHFFFAOYSA-N 402.450 3.751 0 1 HHAF COC(=O)c1ccc(Cn2cnc3c4cccnc4n(-c4ccccc4)c(=O)c32)cc1 26736132 MTWIVUMSDQWQGN-UHFFFAOYSA-N 410.433 3.570 0 1 HHAF CC(=O)Nc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28367824 IJOSWIDZDBURQU-HOTGVXAUSA-N 413.543 3.780 0 1 HHAF COC(=O)CN1C(=O)C2(CCN(Cc3cccc4ccccc34)CC2)c2ccccc21 28528490 XBPCWZGIMBXHPR-UHFFFAOYSA-N 414.505 3.893 0 1 HHAF CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CCC3)cc2)cc1 38156544 UHDFGDBIBVUGTD-UHFFFAOYSA-N 423.542 3.591 0 1 HHAF Cc1cc(C(=O)N2CCC2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40893306 GSBSYJKJMPFSRX-GOSISDBHSA-N 414.889 3.883 0 1 HHAF CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OCCCC(=O)OCC 45192853 OLNLMNJFIORDIH-UHFFFAOYSA-N 414.550 3.859 0 1 HHAF COc1ccccc1OCCNC[C@H](O)COc1cccc2c1-c1ccccc1C2 96939616 YIQGJWJWWIQLJU-FQEVSTJZSA-N 405.494 3.675 0 1 HHAF COC(=O)COc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=C2C1=C(O)c1ccccc12 103878972 HLBYHFXFNBXBAJ-FQEVSTJZSA-N 419.433 3.555 0 1 HHAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2cc(F)cc(F)c2)s1 114603975 OIXCRCNRRKERBR-UHFFFAOYSA-N 419.438 3.674 0 1 HHAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586931869 NPSYBTWLBDYBBX-UHFFFAOYSA-N 400.287 3.699 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCO)O2 587377507 NAAXSLGIAPKSJU-SFHVURJKSA-N 406.276 3.807 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1CCOCC1)CC2=O 587474552 IGGUWKPKVFQLAB-QHCPKHFHSA-N 411.498 3.762 0 1 HHAF C[C@]1(c2ccc(O)c(NS(C)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531790 JUFKCIVFURROLJ-OAQYLSRUSA-N 401.484 3.523 0 1 HHAF O=C(c1ccnn1COc1ccccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651493 KMRAISKJYDEXBG-UHFFFAOYSA-N 415.236 3.625 0 1 HHAF Cc1[nH]nc2ncc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc12 587657661 CUYCIYJVSILULZ-UHFFFAOYSA-N 417.375 3.610 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 587735799 VHKRYJLUEVKREA-AYLIAGHASA-N 422.225 3.866 0 1 HHAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-n1cnnc1 587752772 FUMSIKZVBZRPHQ-MLCYQJTMSA-N 404.287 3.533 0 1 HHAF CC[C@]1(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC(=O)c2ccccc2C1 587960303 KTPOTETWHOZNEY-JOCHJYFZSA-N 411.527 3.581 0 1 HHAF CC(C)(C)C(=O)Nc1cnccc1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981710 VTVULFQUANTYOA-SUMWQHHRSA-N 423.847 3.686 0 1 HHAF O=C1COc2ccccc2N1CCCN1CCC(c2noc3cc(F)ccc23)CC1 1772620985 LSCKFBHTQUPRNT-UHFFFAOYSA-N 409.461 3.962 0 1 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)c(OC)c1[C@H](O)[C@@H](C)[C@@H](C)C2=O 2356668781 BEUGPSCQTBNYDU-SMDDFHAHSA-N 416.470 3.899 0 1 HHAF COc1cc(C(=O)O[C@@H]2CC[C@@](C)(O)CCCC(C)(C)[C@@H](O)C=C2C)ccc1O 2356677237 LIYLUZKKDZZNBL-RFWXGWTQSA-N 406.519 3.975 0 1 HHAF O=C1CC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CN1CC1CCCCC1 11936810 KTRUYVQKPSPOOL-LJQANCHMSA-N 417.981 3.808 0 3 HHAF CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1cccnc1)C[C@@H]1CCCO1 20098754 SDELAWGAEJBZMO-HKUYNNGSSA-N 412.563 3.655 0 3 HHAF O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 768300 MLHZVPVJKPZSRZ-CTNGQTDRSA-N 422.456 3.535 0 1 HHAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@@H]1c1cn(C)c2ccccc12 2468681 QWZAWPSOJNSTJV-PKTZIBPZSA-N 413.477 3.998 0 1 HHAF COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2cccn2C)CC3)cc1 4237967 NZNZLMHZIIKWQQ-UHFFFAOYSA-N 410.518 3.584 0 1 HHAF COc1cc2nc(NC[C@H]3CCCO3)n3nc(-c4ccccc4)nc3c2cc1OC 6805507 CBGFXGBHHASUCY-OAHLLOKOSA-N 405.458 3.553 0 1 HHAF CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(O)c(C(=O)CC)c2O)c1O 13299281 HDDPSDDDKBZOPX-UHFFFAOYSA-N 418.442 3.703 0 1 HHAF biogenic CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 13472375 PKFRXUCKLQZSPD-UHFFFAOYSA-N 415.457 3.715 0 1 HHAF O=C(Cc1cccnc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 13775748 NFOBRQKVVNPFBA-QHCPKHFHSA-N 406.917 3.606 0 1 HHAF COc1ccc2nc(N3CCC[C@H]3C(=O)N[C@@H]3CCc4ccccc43)nc(C)c2c1 14989111 IGABNJVJKFRRGC-IRLDBZIGSA-N 402.498 3.719 0 1 HHAF C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 26157106 OGJFKUQJOKISDC-PGRDOPGGSA-N 409.555 3.509 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([S@](C)=O)cc1 27863272 KPJYNEDTNNPOJQ-AFJIDDCJSA-N 414.527 3.687 0 1 HHAF Cc1ccn(-c2ccc(C(=O)N3C[C@H]4C=CC(=O)N4Cc4ccccc43)c(Cl)c2)n1 28824047 YKPFCEJADVPWEA-GOSISDBHSA-N 418.884 3.762 0 1 HHAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2n1 34105695 BVVLIWWUACSIDY-UHFFFAOYSA-N 416.329 3.717 0 1 HHAF CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)N2CCCCC2)cs1 82071630 KCSYCXPSPXACIA-SFHVURJKSA-N 417.600 3.750 0 1 HHAF C[C@H](C(=O)NCCC1CCCCCCC1)N1CCN(C(=O)C2CCCCC2)CC1 96271324 YNVZEOKFLJLJGW-HXUWFJFHSA-N 405.627 3.966 0 1 HHAF Cc1ccccc1-c1nn(-c2ccc(Cl)cc2)cc1CNCCN1CCN(C)CC1 96938566 ZASVLVURSNNCJO-UHFFFAOYSA-N 423.992 3.838 0 1 HHAF COc1ccc(C2=NN(C(=S)NC(=O)c3ccc(Cl)cc3)C[C@H]2C)c(OC)c1 103211417 GGGZCGVXHHBKBJ-GFCCVEGCSA-N 417.918 3.728 0 1 HHAF COc1ccc(-n2c(=O)oc3ccc(-c4ccc(F)cc4F)cc3c2=O)cc1OC 205728144 LBUVMNXRCZTZQN-UHFFFAOYSA-N 411.360 3.906 0 1 HHAF COc1cccc2c(NCc3nccs3)nc(-n3c(N)nc4ccccc43)nc12 219016676 JTSRRCFWWWDEDQ-UHFFFAOYSA-N 403.471 3.628 0 1 HHAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccc(F)cc1 261111517 IDXJHISTOKAVNO-SFHVURJKSA-N 412.392 3.981 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)o1 586922890 DHHLVFZBGJPNBD-UHFFFAOYSA-N 402.863 3.803 0 1 HHAF O=C(O)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F 587003939 YIKJMWOJKQSLEI-UHFFFAOYSA-N 403.211 3.755 0 1 HHAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)c(Br)cc2[nH]1 587194338 DELRADPPNDERBD-UHFFFAOYSA-N 411.101 3.919 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 587762282 SBJZIVXTQJOZFR-VOJFVSQTSA-N 417.278 3.850 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 587791951 NHNNCHFWWAHILJ-BIBXISHDSA-N 401.279 3.659 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(Br)c(C)n1 587870122 ZVKKVLPNYATNCC-UHFFFAOYSA-N 407.243 3.696 0 1 HHAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12N[C@H](C)Cc1c(OC)ccc(OC)c12 963636389 QOZIEAKXXRKRGO-JWFGRAFASA-N 422.569 3.779 0 1 HHAF O=C1NC(=O)/C(=C/c2ccc(OCc3cn(-c4ccc(Cl)cc4)nn3)cc2)S1 1857595556 GTCAQFOBRGEYPF-MFOYZWKCSA-N 412.858 3.824 0 1 HHAF CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@@H]2C[C@@]35CCCN3C[C@@]2(C4)NC5=O)O1 2356327831 JMBZQJZJAXXGDP-AFWDCEBSSA-N 417.553 3.909 0 1 HHAF Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CCc1ccccc1F 95571386 QBFJKXKCUHPGDL-QFIPXVFZSA-N 400.519 3.958 0 3 HHAF CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 95600123 PAQOXRAQQOCJRZ-QHCPKHFHSA-N 405.498 3.589 0 3 HHAF O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4976725 ZGSXEXBYLJIOGF-JWWGGVBKSA-N 409.445 3.799 0 1 HHAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@@H]2O 15262587 MRIJYJFSLKIHCK-FHGNATFXSA-N 402.443 3.675 0 1 HHAF biogenic COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@@H](C)C2 15270682 CWTKKMAJNZCARV-CSJMPQKXSA-N 402.443 3.675 0 1 HHAF biogenic CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)C2CCCCC2)c1=O 25208425 TXBZUJVZDHXWHM-AEFFLSMTSA-N 413.562 3.749 0 1 HHAF biogenic COc1ccc2c3oc(C(=O)N4CCOCC4)cc3n(C(=O)OCC(C)C)c2c1 26379896 BJMSGRPELAKCNU-UHFFFAOYSA-N 400.431 3.509 0 1 HHAF CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](N)CCC2=O)cc1 36382982 DZLAVGMRKFMNRK-FPOVZHCZSA-N 411.571 3.688 0 1 HHAF CC(C)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1C[C@](O)(CO)[C@H]3CC[C@]12C3 59779144 FNQCDBBIWXCSFD-VURRPJPOSA-N 422.606 3.683 0 1 HHAF CCCCn1ncc(C(=O)O)c1Nc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 72183364 NBSBZSIBRSNSCK-UHFFFAOYSA-N 403.446 3.972 0 1 HHAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccnn4)ccn23)c1 139596524 MTGJTGDLTSQRAW-UHFFFAOYSA-N 413.363 3.537 0 1 HHAF O=C(N[C@H]1CCC[C@@H]1O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 140343014 YRWBRCCFFGCCBU-ROUUACIJSA-N 413.861 3.612 0 1 HHAF NC(=O)c1c(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)nsc1N 145683840 WFUKOKLJQOUMRV-UHFFFAOYSA-N 406.389 3.762 0 1 HHAF COc1cc(C[C@@H](C)[C@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)cc(O)c1OC 238739892 SYAQUKRBBRLVBT-MTJIALIYSA-N 406.475 3.681 0 1 HHAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 299875572 DDNRBBWLNDEZIK-QKICPDMISA-N 400.563 3.876 0 1 HHAF COC(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586985614 WLLZFRQVSZBVIM-INIZCTEOSA-N 415.291 3.692 0 1 HHAF O=C(CSCc1nc2nc(Cl)c[nH]c-2n1)Nc1ccc(C(F)(F)F)cc1 587113381 IRUXIFVFGKXBFX-UHFFFAOYSA-N 401.801 3.849 0 1 HHAF O=S(=O)(O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116491 ZECLNQFMZOOLCH-UHFFFAOYSA-N 422.182 3.653 0 1 HHAF C[C@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337064 OGUYUGHISMXUQJ-NFBKMPQASA-N 407.397 3.610 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)s1 587611428 INVQETVBRAUIRB-UGKGYDQZSA-N 408.479 3.566 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccoc3)CC2)N1 587769723 PIJUZEWEPGQOEQ-LBPRGKRZSA-N 407.283 3.847 0 1 HHAF CCNS(=O)(=O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653699463 TVOZUZZYOSZJSD-UHFFFAOYSA-N 405.483 3.734 0 1 HHAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(N4CCCC4)cc3)c2)c1 653861880 WWLLRRNFQSKTBZ-UHFFFAOYSA-N 416.481 3.612 0 1 HHAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc3c(c2)C2(CC3)OCCO2)N1)C(F)(F)F 962760482 FGMUVELTGQUUML-RTBURBONSA-N 403.400 3.568 0 1 HHAF O=C(Nc1nc2c(s1)C[C@H](O)CC2)N1CCC(c2noc3ccc(F)cc23)CC1 1772577741 VBTAHQJOCMSDHL-CYBMUJFWSA-N 416.478 3.685 0 1 HHAF Clc1c(-c2nc3ccccc3c(=NCCN3CCOCC3)[nH]2)[nH]c2ccccc12 1857629075 HMYLXPGMODRVHT-UHFFFAOYSA-N 407.905 3.598 0 1 HHAF CC(=O)O[C@H]1Cc2c(cc3occc3c2C)[C@]2(C)[C@H](OC(C)=O)CCC(C)(C)[C@]12O 2356635946 PNIWOPXSKRPGQY-CBJLPSGESA-N 414.498 3.970 0 1 HHAF COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(OC)cc2)cc1 199725161 PKNRAUZXRVAKBG-UHFFFAOYSA-N 410.495 3.907 0 3 HHAF COc1cccc(CN2C(=O)COCc3cc(-c4cccc(C(N)=O)c4)ccc32)c1 205222676 OOBBPKPCPULJJX-UHFFFAOYSA-N 402.450 3.525 0 3 HHAF Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cn3)n[nH]2)c(S)cc1Cl 1645173 CBESXGIJMIPHAO-UHFFFAOYSA-N 416.315 3.571 0 1 HHAF O=C(c1ccc(N2CCC(NCc3ccon3)CC2)cc1)N1CCc2ccccc2C1 12218859 FYMVHKPSPCSYQF-UHFFFAOYSA-N 416.525 3.632 0 1 HHAF O=C(O)CCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 14966991 RMBXKBYYWPXMDU-AWEZNQCLSA-N 414.321 3.577 0 1 HHAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccc(Cl)cc3)CC1)OCC2 27900198 FERBIOQZSPFYMR-QFIPXVFZSA-N 402.922 3.793 0 1 HHAF CSc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1 95575807 LZRZLRDYRGYENN-UHFFFAOYSA-N 411.527 3.847 0 1 HHAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(CC2CC2)C1 95663102 WJAYNFATKOLMEV-HSZRJFAPSA-N 417.553 3.689 0 1 HHAF CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)nc2)CC1 96273160 LAXDQTSFVDFBFM-UHFFFAOYSA-N 401.514 3.926 0 1 HHAF CCOC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CCC2)CC1=O 100995490 WGGZGLFJLLBHIR-TVPUMLRDSA-N 411.542 3.522 0 1 HHAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(F)c1)C(Cl)(Cl)Cl 103295071 VZUXMLVIVNHCIL-LLVKDONJSA-N 409.561 3.930 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3CN(c4cc(C)c5ccccc5n4)C[C@H]3C2)c(OC)c1 116823659 CJWVZDYTCRDBKW-ROUUACIJSA-N 417.509 3.769 0 1 HHAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5=O)C[C@@H]32)n1 116827668 HHIMZKLIKHUKNH-JTSKRJEESA-N 424.504 3.656 0 1 HHAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ccc(Cl)cc2)C1 116978495 BSHCSDIWTCHFSE-CYBMUJFWSA-N 413.909 3.712 0 1 HHAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(O[C@H]2CCNC2)n1 144301629 CNZCKSZBAJRWRS-KRWDZBQOSA-N 406.461 3.834 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@@H]2C[C@H]3C[C@@]3(c3ccccc3)C2)n1C 169296851 XWXGIXOQLMBDID-SVMVAKDDSA-N 409.559 3.971 0 1 HHAF COc1cc(F)c(C)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225079124 DELMWEDZYRNLGX-UHFFFAOYSA-N 424.457 3.949 0 1 HHAF COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2cc1OC 587122307 BMXBUPSNQFNMIY-RMLUDKJBSA-N 409.368 3.529 0 1 HHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587189670 CGGSWFFTWDJVGK-KRWDZBQOSA-N 417.487 3.766 0 1 HHAF COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587241088 YZHMKHMLBQZLHR-PTPDTQQLSA-N 402.495 3.522 0 1 HHAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 587349700 VLGCLKWYSWMYFM-WMZHIEFXSA-N 418.380 3.747 0 1 HHAF COC(=O)Nc1nc2ccc([C@@]3(C4CC4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 587396729 OGQSPYQMDRYNHR-QFIPXVFZSA-N 406.442 3.903 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ncccn4)c4ccc(OC)cc14)[C@@H](C2)C3=O 587429822 DFYXTPGFPHIRJC-GAJHUEQPSA-N 413.433 3.926 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2COC[C@H]1CN(Cc1ccccc1)C2 587475091 LSQJHSMVECRKNE-HBNMSFMJSA-N 407.510 3.827 0 1 HHAF CCOc1ccc(-c2nn(C(=O)c3cnco3)c(=O)c3ccccc23)cc1OCC 587670355 VLADMTDARFBVKO-UHFFFAOYSA-N 405.410 3.537 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCOCC3)o2)N1 587773737 KQBPLMBCJWYBLQ-HXPMCKFVSA-N 409.299 3.637 0 1 HHAF CC1(C)OCc2cc([C@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962973389 WAHABJYJHHJRLR-KBXCAEBGSA-N 409.816 3.952 0 1 HHAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1sc(NCCCC(=O)O)nc1C 963260569 YLABKHFPHNLHMP-IBGZPJMESA-N 409.939 3.799 0 1 HHAF COc1cccc2c1[C@@]1(C[C@@H]2NC(=O)C(F)(F)F)NCCc2cc(Cl)ccc21 963379472 IKUYZEOBUZVEJE-KXBFYZLASA-N 410.823 3.861 0 1 HHAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc(N)cc1N 963863251 ROSWVWBJUWSNJP-IERDGZPVSA-N 411.502 3.885 0 1 HHAF COc1cc(NC(=O)Nc2ccc3nc(-c4ccoc4)nn3c2)cc(OC)c1OC 1857582107 NQZFXBNKYBVNNR-UHFFFAOYSA-N 409.402 3.659 0 1 HHAF CC(=O)C[C@@H]1C[C@@]2(C)CC=C3CO[C@@H](CC(C)=O)[C@@]3(O1)[C@@H]2C=COC(=O)C=C(C)C 2356586507 CHWHQKGWMYXOKD-CMOSFIGNSA-N 416.514 3.847 0 1 HHAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)C[C@@H](OC(=O)CCC(=O)O)[C@H]1CO 2356596561 KFWNRUNSSBZDEP-RAUDTWRRSA-N 422.562 3.863 0 1 HHAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)c(OC)c1[C@H](O)[C@H](C)[C@@H](C)C2=O 2356668778 BEUGPSCQTBNYDU-JWCBKOKGSA-N 416.470 3.899 0 1 HHAF CC[C@@H](C)N(CCNC(=O)C[C@H]1Oc2ccc(C)cc2NC1=O)C1CCCCC1 5069959 UQEQFXDUZFOSKU-DYESRHJHSA-N 401.551 3.634 0 3 HHAF Cc1ccccc1C(=O)c1cccn1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 5143324 LHJTXWQAMBCQSE-KRWDZBQOSA-N 404.466 3.676 0 3 HHAF COc1ccc(CN(C)CCCn2cnc3c(OCc4ccccc4)ncnc32)cc1 61935980 OVTOKWUASFNPIH-UHFFFAOYSA-N 417.513 3.936 0 3 HHAF CCOC(=O)N1CCC(n2c(=S)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1 3010178 HZMFKEVDIQKVKL-UHFFFAOYSA-N 421.519 3.650 0 1 HHAF COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C 4054149 QMWAFKMUJMFCIJ-FUHWJXTLSA-N 403.276 3.638 0 1 HHAF CC[C@H](C)C(=O)O[C@@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC(=O)O)[C@H]21 26672050 QLJODMDSTUBWDW-LFFUZVEHSA-N 422.562 3.716 0 1 HHAF in-vitro Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(F)cc3)C2)n1C 49032021 QLOCSQXNJJSRQH-HRAATJIYSA-N 413.522 3.673 0 1 HHAF O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 49050946 XHJTZRDIIAOWHO-QGZVFWFLSA-N 418.931 3.614 0 1 HHAF Cn1nccc1CNC(=O)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 49807791 UNSQAAWBZNDRBH-UHFFFAOYSA-N 410.481 3.812 0 1 HHAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccc(Cl)cc2c1CN1CC[C@H](O)C1 58569411 QHPZRQCBIVTBAH-INIZCTEOSA-N 417.896 3.798 0 1 HHAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(NC2CCCCC2)cc1C(F)(F)F 146025270 LWMLQPGYMOPNPS-HNNXBMFYSA-N 406.470 3.907 0 1 HHAF Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3 169350120 KEMHLKRQXZCNPA-XNMGPUDCSA-N 412.533 3.750 0 1 HHAF COc1cc([C@H](O)[C@H](C)[C@@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC 169369716 QTIKNRHPPGSKAY-MRRFBWAASA-N 404.459 3.695 0 1 HHAF COc1ccc([C@@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cn1 206338327 WBEBINCDHKIBOJ-IBGZPJMESA-N 403.467 3.870 0 1 HHAF c1cc(C2=NCCN2)ccc1OCCCCCCCOc1ccc(C2=NCCN2)cc1 207727045 DPHMLORPFCORIN-UHFFFAOYSA-N 420.557 3.795 0 1 HHAF COC(=O)[C@@]12C[C@H]3C[C@H](C(C)C)[C@@H]1N(CCc1c2[nH]c2cc(OC)c(OC)cc12)C3 238756054 HDMZJSUFXDYYFB-YGKDFHOVSA-N 412.530 3.518 0 1 HHAF COc1nccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c12 586931103 KZSYWKPPECGRCG-UHFFFAOYSA-N 408.483 3.767 0 1 HHAF O=C(O)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586960325 OOZGOKMSMVZELH-DEOSSOPVSA-N 407.289 3.764 0 1 HHAF CS(=O)(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998475 KXOZSWVQWJORHZ-DJWKRKHSSA-N 421.272 3.628 0 1 HHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cncc(Br)c3[nH]2)cs1 587013736 AOLDAHGDQSNBIS-UHFFFAOYSA-N 410.297 3.869 0 1 HHAF CCOC(=O)[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(C)=O 587345871 HGQAYZSFXMSKOP-XQFWAAQXSA-N 414.429 3.807 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(I)c1)[C@@H](C2)C3=O 587426619 DODMQCBFBDFZTN-KPZWWZAWSA-N 422.218 3.668 0 1 HHAF C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517532 PHIOAFNHLJSCJN-IVCQMTBJSA-N 403.478 3.964 0 1 HHAF COC(=O)c1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591727 HIXKAAKEWKVTFO-YKSBVNFPSA-N 402.402 3.982 0 1 HHAF C[C@]1(c2cccc(N3CCNC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593150 JNOBXFQEAVUOQH-GBXCKJPGSA-N 416.433 3.799 0 1 HHAF O=C(O)c1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)OCOC2 587610567 PTMNIORWPMDFMV-GCJKJVERSA-N 420.373 3.660 0 1 HHAF CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@](C)(O)c1ccc(Cl)cc1 653729227 KNLKBQBHYPJRTH-KNQAVFIVSA-N 400.906 3.661 0 1 HHAF CC(C)n1c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)nc2ccccc21 1772585163 DVNHAWRSSQDNBU-ATVHPVEESA-N 412.515 3.666 0 1 HHAF O[C@@H]1c2ccccc2[C@@H](O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911575995 YQBDIPLMHJBTGF-FGZHOGPDSA-N 409.367 3.828 0 1 HHAF CN1C(=O)[C@@](NC(=O)OC(C)(C)C)(C(F)(F)C(=O)c2ccccc2)c2ccccc21 1911580071 CTRGGFLPZAKEMQ-OAQYLSRUSA-N 416.424 3.901 0 1 HHAF CCOC(=O)C(=O)N(C)c1c(CC)nc2c(OCc3ccc(Cl)cc3)cccn12 61904734 SILWNNDKHFOFSR-UHFFFAOYSA-N 415.877 3.655 0 3 HHAF CC[C@H](c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 73240987 DSBITVMEZIJQLK-LJQANCHMSA-N 409.538 3.610 0 3 HHAF OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3ccc(F)cc3)CC2)CC1 22926656 AACJHFPFYOSUIH-UHFFFAOYSA-N 412.505 3.502 0 1 HHAF c1cnc(NCc2ccncc2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 28570565 NYXRBAZCLXRQBI-UHFFFAOYSA-N 402.414 3.654 0 1 HHAF CN(c1ccc(NC(=O)c2ccccc2)cc1OCc1ccccc1)S(C)(=O)=O 29136155 GOZWSVNBKVVIEJ-UHFFFAOYSA-N 410.495 3.914 0 1 HHAF COc1c(-c2ccc3c(c2)CCNC3)ccc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090261 BLSBIMBTHJSKBO-UHFFFAOYSA-N 419.506 3.973 0 1 HHAF Cc1nsc(-c2ccc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nn2)n1 38153794 ULQMEDVFZUUBFU-UHFFFAOYSA-N 407.330 3.937 0 1 HHAF CCN(CC)C(=O)N[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1 39383734 SBHNNNRQZGYOAU-SJKOYZFVSA-N 417.351 3.604 0 1 HHAF biogenic CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(CO)[C@@H]2C[C@@H](O)[C@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@H]3O 40576723 PKVICYZLWZIYRA-IQCMGSGJSA-N 404.591 3.890 0 1 HHAF CCN(CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1c(C)cccc1C 49916488 CODHACBXHZMKNZ-UHFFFAOYSA-N 417.575 3.664 0 1 HHAF CCCCNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2OCC)n1 82073232 MUDYPXPFHJOGQV-QGZVFWFLSA-N 401.532 3.730 0 1 HHAF COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(C)s2)CC1 96270631 PCUAVOCFDVWQAA-UHFFFAOYSA-N 401.576 3.787 0 1 HHAF Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NC3CC3)n2n1 149962261 YQNAXQZQBACMPY-CQSZACIVSA-N 403.465 3.770 0 1 HHAF O=C(NCc1cccnc1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 195451306 UUXOCTNHZXOEGT-VVWQDTPRSA-N 415.415 3.794 0 1 HHAF COc1ccc(-c2nc3cnccn3c2Nc2cc(OC)c(OC)c(OC)c2)cc1O 473169314 NGWPPZDCYXYEGM-UHFFFAOYSA-N 422.441 3.880 0 1 HHAF COC(=O)c1cc2nc([C@H](N)Cc3cscn3)[nH]c2c(F)c1Nc1ccccc1 587029149 IUGXVHJYJKYNDB-CQSZACIVSA-N 411.462 3.931 0 1 HHAF NS(=O)(=O)c1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587121948 HVAHPFKYNAYPEO-UHFFFAOYSA-N 417.434 3.542 0 1 HHAF Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411420 ZRAYEKMMTBWTRS-JOCHJYFZSA-N 410.495 3.805 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCc4cc(C(=O)O)no4)c1)[C@@H](C2)C3=O 587434861 ABPUGEAFHCNPLO-SBUREZEXSA-N 421.405 3.623 0 1 HHAF CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517221 JJKOWZLXDRDFPE-VTUIFRMYSA-N 412.530 3.966 0 1 HHAF CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587518597 LVHWVXQGAPVGPS-MHECFPHRSA-N 413.514 3.781 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cnoc1)c1ccccc1O 587588294 SGAFHDSEQKQDFW-NZQKXSOJSA-N 401.374 3.991 0 1 HHAF CCn1ncc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587766305 VGBQEEMRQPXMPV-HNDNADPKSA-N 421.358 3.966 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 587768312 ULZLZTZRTBTCIL-MPBGBICISA-N 418.310 3.916 0 1 HHAF COC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587798769 ZEXCQDSMBQCVOK-WLRWDXFRSA-N 408.267 3.764 0 1 HHAF Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1 653884678 YAZNPWINUJRGSE-UHFFFAOYSA-N 422.924 3.926 0 1 HHAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](O)C1 1772617879 XNNRRBJEMZEYGE-CQSZACIVSA-N 403.360 3.648 0 1 HHAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)C1CC1 1772636067 LBNGJZBDUWZGLH-UAPYVXQJSA-N 412.603 3.893 0 1 HHAF C[C@]12CC[C@H](N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@]3(CCC(=O)O3)[C@H]12 2356306113 DNRQDQGLQOWBRA-QMDHGFHESA-N 401.547 3.584 0 1 HHAF CC=Cc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356473218 XLISRJBFLZABKA-ZUOKHONESA-N 404.459 3.961 0 1 HHAF CC(=CCO)CC[C@]1(C)[C@H](CO)[C@H](OC(=O)CCC(=O)O)C[C@]2(C)C(C)=CCC[C@@H]21 2356596564 KFWNRUNSSBZDEP-YSLZZLMDSA-N 422.562 3.863 0 1 HHAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1OC 61903418 DCTIGTQGANZDJE-JOCHJYFZSA-N 418.449 3.911 0 3 HHAF COc1ccc(OC)c(NC(=O)O[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)c1 205708200 HCJYBGHBZNQPSG-LBUQITIBSA-N 402.491 3.966 0 3 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 596894 MIHNUBCEFJLAGN-MTUXEBOFSA-N 406.563 3.657 0 1 HHAF CCN(CC)CCNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C 2931598 MBJWGFSGMZTXOM-UHFFFAOYSA-N 423.586 3.634 0 1 HHAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC 4310522 YSQNGPQWKLZHPF-IPHXSNPTSA-N 406.523 3.605 0 1 HHAF CNC(=O)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1 13473987 MVFBCJUJUYGZKY-UHFFFAOYSA-N 412.396 3.896 0 1 HHAF COc1cc(-c2oc3c(O)c(OC)c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O 14438238 LTODEFQVMVALNP-UHFFFAOYSA-N 414.410 3.808 0 1 HHAF biogenic CN(C)CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 26503805 KQESXQBLARZWDC-UHFFFAOYSA-N 416.566 3.650 0 1 HHAF COCCN(CCOC)c1nn2c(-c3cccc(Cl)c3)nnc2c2ccccc12 33891536 OJGNXUCQPNDSNH-UHFFFAOYSA-N 411.893 3.697 0 1 HHAF Oc1cccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(C3CC3)o2)c1 45496421 DGIDRZDTIIWYJJ-UHFFFAOYSA-N 415.457 3.903 0 1 HHAF O=C(c1ccc2scc(C(=O)N3CCCCC3)c2c1)N1CCN(C2CCC2)CC1 64539363 XRYJTISFHQDRSM-UHFFFAOYSA-N 411.571 3.838 0 1 HHAF CC[C@@H](C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71330288 INUASEIKXMCJPI-CQSZACIVSA-N 410.499 3.550 0 1 HHAF CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1 72118905 LPIQIFJZJAJRLD-DEOSSOPVSA-N 403.526 3.951 0 1 HHAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2cc[nH]c2)C1)N1CCCC1 72178187 DFBGPGQZHLFQOQ-IIBYNOLFSA-N 415.497 3.590 0 1 HHAF O=C(NCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc(F)cc1 95597470 JNPHWJJTNHAPBM-UHFFFAOYSA-N 414.412 3.634 0 1 HHAF OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 95874608 OCNSDTKZVINVFB-GSDHBNRESA-N 414.553 3.568 0 1 HHAF OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 100130669 ZLAMFFFFACPEQP-JIMJEQGWSA-N 414.553 3.568 0 1 HHAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cccc(OCc4ccccc4)c13)C2 101316616 KWVHDIHZHBHZBJ-PMACEKPBSA-N 418.541 3.897 0 1 HHAF O=C(c1ccc(-c2cccs2)nc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 148640152 MNLKHYZPMFPEFS-UHFFFAOYSA-N 404.495 3.930 0 1 HHAF COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@@]314 195140563 RBQKCFLDNBVADS-CIGYDSMPSA-N 417.549 3.992 0 1 HHAF CN(Cc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O 214234469 QTZVHXCBIAJAQV-TZIWHRDSSA-N 414.509 3.924 0 1 HHAF Cc1ccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1F 220194605 RKXMDDHVNYARCB-UHFFFAOYSA-N 405.476 3.922 0 1 HHAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 587031921 QKKXAJXLNDZWKJ-VYJZUSIPSA-N 400.533 3.854 0 1 HHAF COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587238549 DHBZCQPNFRWJDB-PYDTXJQDSA-N 402.495 3.522 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)O)c(Br)c1)O2 587378928 WWHHKVNIQCJONM-MRXNPFEDSA-N 406.232 3.510 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(S(C)(=O)=O)cc3)nc1)O2 587409956 OPSHXBWLMGDTPM-NRFANRHFSA-N 408.479 3.749 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCOCC3)cc1)CC2=O 587474752 JIIBEAKJIWDXRY-QHCPKHFHSA-N 411.498 3.762 0 1 HHAF COc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1C 1260636841 JRYBDYPCYFHILK-KLJZETAQSA-N 416.587 3.587 0 1 HHAF C[C@@H](NC(=O)c1nc(-c2ncccc2C(F)(F)F)nc(O)c1O)C1CCCCC1 1911570548 MGQGCDOBMVZLGS-SNVBAGLBSA-N 410.396 3.667 0 1 HHAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3Cc3ccccn3)Oc3ccccc32)cc1 2356298880 HRTNYPVMKOUOCO-JTHBVZDNSA-N 415.493 3.659 0 1 HHAF COc1ccc(CN2CC[C@@H](CC(=O)O)[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 2356305845 MLFTWGVCVKRXDY-DLBZAZTESA-N 411.477 3.866 0 1 HHAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CC[C@H](NC(C)=O)C3)C=C2C)o1 2356465258 LZLLDTMZEXELJT-JSXRDJHFSA-N 402.583 3.630 0 1 HHAF COc1cccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@H]3[C@@]2(C)CO)c1 2356597557 LTVRENYEGNIEJW-VMOSYGLWSA-N 417.502 3.753 0 1 HHAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)sc2n1 5093589 LFDIHGUJUJLZQP-XEZPLFJOSA-N 402.564 3.699 0 1 HHAF Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@@H](C)N[C@H](C)C4)cc32)c(C)c1 5930850 XTITXBINAHKLTQ-HZPDHXFCSA-N 423.488 3.631 0 1 HHAF COc1ccccc1C(=O)N(Cc1ccc(OC(C)C)cc1)[C@H]1CCCCNC1=O 12149560 KNDIQDPNVJIUCA-NRFANRHFSA-N 410.514 3.794 0 1 HHAF COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1 13449403 IXXYHUVMEBTGED-UHFFFAOYSA-N 424.589 3.649 0 1 HHAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc3cccnc23)N2CCNCC2)cc1 22939818 XLADLHOGPMXYHT-DEOSSOPVSA-N 402.542 3.711 0 1 HHAF O=C(NCCc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccc(Br)cc12 26282275 OQUMAUFVSGWHGB-UHFFFAOYSA-N 410.271 3.953 0 1 HHAF CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2c1ccc(C(=O)Nc2ccccc2N)cn1 28824513 GYINZFUSDQBGNV-IRXDYDNUSA-N 423.517 3.504 0 1 HHAF COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)n1nnnc1C 40835081 DCKPNFMRWXOAJC-GOSISDBHSA-N 410.275 3.939 0 1 HHAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](C(=O)N(C)C)C3)cc12 114711233 JFNCIPNVTAPVEE-GJZGRUSLSA-N 402.564 3.898 0 1 HHAF Cc1cc(OC[C@@H]2CCCO2)ccc1-c1ccc(COc2ncccc2C(N)=O)nc1 169348930 ZHWMDTYHZGHQMK-FQEVSTJZSA-N 419.481 3.688 0 1 HHAF CSc1nn(-c2cccc(C)c2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 169706035 WXMIFYQPXKPVNL-UHFFFAOYSA-N 421.614 3.930 0 1 HHAF CC1(C)[C@@H]2CC[C@H](Cn3c(=O)cc(O)n(CCc4cccc(Cl)c4)c3=O)[C@H]1C2 169729815 UYWBTMLSVWLBSO-JFIYKMOQSA-N 402.922 3.684 0 1 HHAF COc1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204154406 JDDJMJIAWGNUGT-UHFFFAOYSA-N 405.458 3.558 0 1 HHAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 205473396 BKSWTQTWKNVODB-YCEDGAFSSA-N 410.558 3.624 0 1 HHAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CCCC3)cc2F)cn1 212175865 GTFPGSICOOFORS-UHFFFAOYSA-N 412.490 3.753 0 1 HHAF COc1cc(C(=O)OC[C@@H](C)[C@H]2CC[C@]3(C)C[C@H](O)[C@]4(C)CC[C@]23O4)ccc1O 238751863 XHMSSIXKMBPWCK-SNKYXTNTSA-N 404.503 3.683 0 1 HHAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586959547 RAXCXERDQOCMMB-QFIPXVFZSA-N 423.494 3.611 0 1 HHAF CCS(=O)(=O)c1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2c1 586971574 ZOMNNUGEEGGDOO-UHFFFAOYSA-N 417.556 3.579 0 1 HHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587081388 ZZCWNRKPCCXKKU-SFHVURJKSA-N 409.921 3.772 0 1 HHAF CN1CCN(c2ccc3nc([C@@H]4CCCN4C(=O)Nc4ccc(F)cc4)[nH]c3c2)CC1 587167732 QXZNYVPTLCETJO-NRFANRHFSA-N 422.508 3.823 0 1 HHAF Cc1c(I)cnn1[C@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1 587181712 AGXKVZKNSMKXGE-ZCFIWIBFSA-N 406.149 3.699 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587427260 RKSNWNQDOUEQEE-NYHFZMIOSA-N 400.402 3.741 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccc(Br)cc21 587457243 FZKNICDLLHOCTA-FQEVSTJZSA-N 416.271 3.944 0 1 HHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)O)nc1-c1ccccc1)CC2=O 587478965 XHFHRZYPQWESSB-HXUWFJFHSA-N 406.438 3.999 0 1 HHAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582327 ZQOZILOGEOMRRE-YLJCJYEASA-N 407.466 3.794 0 1 HHAF CCOC(=O)[C@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587767967 CDFHPDBYFKFUMR-BLVKFPJESA-N 407.283 3.633 0 1 HHAF Cc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587790286 FLCYJARLGJOLBY-WYRIXSBYSA-N 408.267 3.984 0 1 HHAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963029262 NHFRNSUWKXMYQL-KFCXZAFISA-N 412.917 3.640 0 1 HHAF CCOC(=O)C[C@@]1(CCc2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219303 DOJPOSZFJLNZAV-WIOPSUGQSA-N 418.493 3.615 0 1 HHAF CNC(=O)c1ccc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc1OC 1857539408 BXTHLZIRDLSOTQ-UHFFFAOYSA-N 416.525 3.502 0 1 HHAF CCOC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2s1 1911572012 JREAVQSXQVDCTL-UHFFFAOYSA-N 408.439 3.532 0 1 HHAF C[C@H](O)CCCC=CCCC(=O)C[C@H](O)CC=CC=C[C@H](O)CC=CC=CC(=O)O 2356445227 YXATYAXRBGTMSM-QNWVGRARSA-N 420.546 3.645 0 1 HHAF Brc1cccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)n1 199271274 VLRKKYCQGZFRMA-UHFFFAOYSA-N 424.346 3.547 0 3 HHAF COc1cc(NC(=O)CSc2n[nH]c3nc4cc(C)cc(C)c4c-3n2)cc(OC)c1 756868 ICQUHIFFTYMWBR-UHFFFAOYSA-N 423.498 3.823 0 1 HHAF CC1(C)SCN(CCCCN2CCN(c3nsc4ccccc34)CC2)C1=O 1547049 XDZLVBHRWNCMQE-UHFFFAOYSA-N 404.605 3.510 0 1 HHAF COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 2487175 OSUUQNFLCUZVDZ-FQEVSTJZSA-N 402.535 3.800 0 1 HHAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055141 JXMASSWBTSIIKE-IEBWSBKVSA-N 405.951 3.951 0 1 HHAF Cc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)sc2ncnc(NCc3ccco3)c12 12048936 QHSOQHCVBVTXNF-CYBMUJFWSA-N 400.504 3.892 0 1 HHAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 13651705 AEENMXNKFITPEV-UHFFFAOYSA-N 411.479 3.623 0 1 HHAF O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1cccc(I)c1 14979786 UTVITEBUYNFRIG-UHFFFAOYSA-N 422.222 3.809 0 1 HHAF COc1cccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c1 21261959 AUFUKFJZTCPKFF-UHFFFAOYSA-N 404.470 3.558 0 1 HHAF COc1ccc(C2(O)CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1OC 22926606 FBLKMQNTGYRYLO-UHFFFAOYSA-N 410.558 3.652 0 1 HHAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(O)cc2)CC(=O)O1 26991642 WWIFVGATCKIYGE-BAJBADSPSA-N 406.544 3.663 0 1 HHAF CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)CCc1ccccc1 28342442 SJYHZXDSZRZBBS-QHWMMSMNSA-N 417.597 3.979 0 1 HHAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCc1nnn[nH]1 29467990 ZWYMZEPNFDGEGR-RAVFBPBCSA-N 408.546 3.983 0 1 HHAF CC(=O)Oc1cc(OCCCCO[N+](=O)[O-])cc2oc(-c3ccccc3)cc(=O)c12 49124829 MEMSOEUINYSFOE-UHFFFAOYSA-N 413.382 3.753 0 1 HHAF O=S(=O)(Nc1cc(-c2ccc3nccn3c2)cnc1Cl)c1ccc(F)cc1 72181461 DNCWCPDSMUNNAM-UHFFFAOYSA-N 402.838 3.990 0 1 HHAF O=C(NCCN1CCN(c2csc3cc(F)ccc23)CC1)c1noc2ccccc12 95541862 CUAXKVLQJDIYRA-UHFFFAOYSA-N 424.501 3.734 0 1 HHAF COc1ccc2oc(=O)cc(COc3ccc(I)cc3)c2c1 103264160 MIDDUOCXZUFLGQ-UHFFFAOYSA-N 408.191 3.985 0 1 HHAF CN(C)CCCNC(=O)COc1ccc2c(c1)C(C)(C)c1oc3ccccc3c1C2=O 114802933 CUEIVRPDMMWTES-UHFFFAOYSA-N 420.509 3.750 0 1 HHAF CN(C)C(=O)c1ccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)cc1 139642123 HGZYUWIYUOWJNP-UHFFFAOYSA-N 405.473 3.747 0 1 HHAF Cc1nc([C@@](C)(CC2CC2)NC(=O)c2cc(O[C@@H](C)CF)c(C3CC3)cn2)no1 146280588 AQBSFPKMGMIOKK-LAJNKCICSA-N 402.470 3.833 0 1 HHAF O=C1NN=C(c2ccc3nc(-c4ccc(CN5CCCCC5)cc4)oc3c2)[C@H]2C[C@@H]12 168971778 RMFWPFHJDLPTSH-RBUKOAKNSA-N 400.482 3.951 0 1 HHAF NS(=O)(=O)c1ccc(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586929384 FOFFEPVMTLSPAU-UHFFFAOYSA-N 407.495 3.575 0 1 HHAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 587155428 YOAKOZAEPQMDQG-UHFFFAOYSA-N 403.826 3.565 0 1 HHAF CNC(=O)[C@H]1C[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587236342 UZZMLSTYXTYNTO-KGLIPLIRSA-N 402.376 3.684 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)CC2=O 587479733 URQNSSYBHKXHOT-OYHNWAKOSA-N 419.474 3.533 0 1 HHAF NC(=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587494825 ATEQGOHBXVZNTH-HXUWFJFHSA-N 400.272 3.674 0 1 HHAF CCn1nccc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578665 AYUAQGVNIHCATF-QCDIQLFPSA-N 405.454 3.541 0 1 HHAF COC(=O)c1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591722 HIXKAAKEWKVTFO-HYBUGGRVSA-N 402.402 3.982 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)n2C)N1 587679007 DUCDWNTUFNKTSK-CPFSXVBKSA-N 403.093 3.708 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2N)N1 587682967 MOCOOYDSPSZHRC-JKYUHCHBSA-N 415.104 3.952 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 587741648 HWKQOMAZOHWTFJ-OMPKRAJASA-N 421.314 3.593 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587791007 DRRPIUZJJRNRQP-BCTVWOGZSA-N 404.239 3.786 0 1 HHAF COc1cc(OCC(=O)O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587796560 ULIJBERELFZYNG-APBUJDDRSA-N 424.266 3.684 0 1 HHAF COc1ccc(Cc2nc3c(n2C)CCc2cc(-n4cnc(C)c4)ccc2C3=O)cc1 653708999 GGFWGRUHYCDYLI-UHFFFAOYSA-N 412.493 3.843 0 1 HHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3c(Br)cccc32)N1 963231864 RPVIWRSOAPZYRD-TZIWHRDSSA-N 409.283 3.786 0 1 HHAF CCn1c(=O)cc(N2CCOCC2)c2cc(-n3ccnc3-c3ccccc3)ccc21 1857585648 MXOATRGMRQFRTM-UHFFFAOYSA-N 400.482 3.711 0 1 HHAF COCCOc1nc(C)c(-c2ccnc(Nc3ccc(OC)cc3OC)n2)s1 1857630854 OFUKGBWYXTUFFA-UHFFFAOYSA-N 402.476 3.695 0 1 HHAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CCOc1ccc(S(C)(=O)=O)cc1 1857642294 FQINQESNYNUPLQ-INIZCTEOSA-N 409.548 3.896 0 1 HHAF CSc1cccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@@H]3CN2CCC(C)CC2)c1 2356286085 PSKDLUKUXSJGJP-DYXWJJEUSA-N 416.635 3.972 0 1 HHAF COC(=O)[C@H](O)CC(C)=CCC[C@@H](C)C=CC=C(C)CCCC1=CC(=O)O[C@H]1O 2356434070 CXIXHKABKDGPQF-SAWYMBPVSA-N 406.519 3.747 0 1 HHAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1[C@@H]1[C@@H](O)OC(C)(C)[C@H]1OC(C)=O 2356666402 LQFYRSWYFPDEHM-PMVMPFDFSA-N 424.449 3.611 0 1 HHAF O=C(O)CCC=C[C@H](O)[C@H](O)CCCCCC=C(Br)Br 2356720409 ZFXQBFPZXYPLPE-NEPJUHHUSA-N 414.134 3.711 0 1 HHAF O=C(NC[C@@H]1OCCc2ccccc21)c1cc(COc2c(F)cccc2F)on1 13594129 ZFEMJXCMKOJBLJ-IBGZPJMESA-N 400.381 3.576 0 3 HHAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2ccc(OC)cc2)=NO1 61959398 XQOIOVDZKFLYBP-LJQANCHMSA-N 405.454 3.929 0 3 HHAF CN(C(=O)CCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1)C1CCCCCC1 1548558 CVZAAYRCMFKBOJ-UHFFFAOYSA-N 410.518 3.755 0 1 HHAF COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1Cl 3014831 UHMSREPIEKGVDP-DJZHIFDRSA-N 422.868 3.912 0 1 HHAF CC(=O)c1cccc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 6807692 CHMNMHFWNLSYOE-UHFFFAOYSA-N 414.465 3.645 0 1 HHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C(=O)[C@@H](CP(=O)(O)O)C(=O)O 13742380 SQISONUCQGREKN-VYSKZKNXSA-N 415.467 3.743 0 1 HHAF C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)C=C(C)C)CC[C@H]1C)[C@H]2OC(=O)C(C)C 14407465 DOZBNAYGGAIJEJ-YDSCYRLQSA-N 418.530 3.988 0 1 HHAF biogenic CN(Cc1cccc(O)c1)[C@H]1CCN(c2cc(NC(=O)c3ccc(F)cc3)ccn2)C1 45227655 QZQGKLQXHFHTMR-NRFANRHFSA-N 420.488 3.889 0 1 HHAF O[C@@](CNCc1ccc2[nH]ccc2c1)(Cn1cncn1)c1ccc(Cl)cc1Cl 45254928 QRTMWIAVQSJPCD-FQEVSTJZSA-N 416.312 3.744 0 1 HHAF C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1 68205463 AQKJXQYTVDPWOS-IEBWSBKVSA-N 413.481 3.888 0 1 HHAF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1coc2ccc(-c3ccccc3)cc2c1=O 71332336 IHSWQJHZEAOHNT-HXUWFJFHSA-N 420.490 3.816 0 1 HHAF CC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 143279787 MKTHPCOYKSYQFS-OAQYLSRUSA-N 419.399 3.669 0 1 HHAF C[C@@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 143411976 JPUKWXBMXKNSTR-VLIAUNLRSA-N 403.385 3.687 0 1 HHAF O=C1NC[C@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@]1(O)c1cccc(F)c1)CC2 169361913 VTESATXDAMBSLY-MVERNJQCSA-N 422.544 3.952 0 1 HHAF COC(=O)c1c(NC(=O)Cc2sc(N)nc2O)sc2c1CC[C@@H](C(C)(C)C)C2 169693100 CTMHEJWNXSAAHS-SECBINFHSA-N 423.560 3.611 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCNCC4)n3)c(Cl)cn2)CC1 169703720 BPYNKWMURHAWBV-CALCHBBNSA-N 415.969 3.924 0 1 HHAF COC(=O)[C@H]1[C@H](c2ccc(Br)c(Br)c2)C[C@H]2CC[C@H]1N2C 253740332 UWYWQPVLTBLACL-BVIHXZOGSA-N 417.141 3.951 0 1 HHAF CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)n1cnc2c(N)ncnc21 299861672 LUSPFIWBBARJFS-MRXNPFEDSA-N 411.506 3.836 0 1 HHAF O=[S@](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)CC1CC1 586958964 KMFIGMGOEMXOAO-SANMLTNESA-N 423.947 3.676 0 1 HHAF CN(C)CCOc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008503 XEENQXCYIVXJII-UHFFFAOYSA-N 400.280 3.581 0 1 HHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587069741 JWQUKULXEGKNBU-JTQLQIEISA-N 408.683 3.962 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1)c1cc(F)ccc1F 587140858 SPUMGLKUSIAFKP-UHFFFAOYSA-N 421.816 3.704 0 1 HHAF CC[C@H](C)n1ncc(I)c1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 587180598 HXLAGIJPWVIRIY-RMLUDKJBSA-N 424.246 3.726 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C 587238904 HHPSVHLADTWURW-DJHSXXLPSA-N 407.902 3.513 0 1 HHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 587246576 HLIMDOAVQRFXGG-GOSISDBHSA-N 408.246 3.955 0 1 HHAF O=C(c1c(CO)oc2cc(Br)cnc12)C1(Br)CCCC1 587274388 UPMIYCBOABUVNR-UHFFFAOYSA-N 403.070 3.973 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc(N)c2)N1 587744736 IHANOLMYQJWWTH-WYRIXSBYSA-N 407.283 3.813 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 587924357 UJJCBDTURLDNJK-AWEZNQCLSA-N 423.560 3.906 0 1 HHAF CC(C)(C)C(=O)Nc1cnccc1[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981706 VTVULFQUANTYOA-CXAGYDPISA-N 423.847 3.686 0 1 HHAF CC(C)(C)OC(=O)N1CC[C@](C)([C@H]2NCCc3c(C(=O)O)cccc32)C(F)(F)C1 963121866 LZGWGRGJAJDMDF-OXJNMPFZSA-N 410.461 3.854 0 1 HHAF CCOC(=O)c1cnn(CC(=O)c2ccccc2)c1NC(=O)Nc1ccccc1F 1772597495 PBOWBTOAIMLACY-UHFFFAOYSA-N 410.405 3.726 0 1 HHAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNS(=O)(=O)c2ccc(OC)cc2)C=C1C 2356320222 OJPRPHHBBUSLQA-UEXGIBASSA-N 423.575 3.781 0 1 HHAF CC1(C)OC[C@H](CO[C@@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)O1 3599108 ZQDXWYQEGBMDCN-YWZLYKJASA-N 400.862 3.624 0 1 HHAF COc1cc(C=O)c(-c2cc3c(cc2[C@]2(C)OCCS2)OCO3)c(OC)c1OC 5833321 FUPMCOHFJPKVFD-OAQYLSRUSA-N 418.467 3.857 0 1 HHAF CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc2c(Cl)cc(Cl)cc2c1 5887898 DLLQDPFPZHHVRN-UHFFFAOYSA-N 400.273 3.681 0 1 HHAF COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1 13582629 GJYVLTPTDBQQCY-UHFFFAOYSA-N 416.363 3.966 0 1 HHAF Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCCCO)sc21 13672777 UVEZOAMYLCACOE-UHFFFAOYSA-N 418.946 3.889 0 1 HHAF COc1ccc(CN2CCN(Cc3csc4c3CCCC4)CC2)c(OC)c1OC 20514332 MWRLWPOSERUFJX-UHFFFAOYSA-N 416.587 3.971 0 1 HHAF CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nsnc1C(=O)O 29412999 FOPQVCTWIDVFGW-UHFFFAOYSA-N 421.486 3.500 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 33820871 ZDXZWIJQXLMLBZ-ZGHMVHKCSA-N 404.547 3.577 0 1 HHAF O=C(NCc1ccccc1)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459666 BILNIFDGLHDGMZ-NRFANRHFSA-N 422.868 3.765 0 1 HHAF C[C@@H]1CN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CCN1C1CCC1 62224983 VJPGHPQDCLUTIG-JPYJTQIMSA-N 420.536 3.509 0 1 HHAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(C(=O)OC)cc2)NC(=O)N1 73313785 NSJAOWKXSFDGNL-IBGZPJMESA-N 400.475 3.615 0 1 HHAF CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 82178289 DQQSIBSINPEVOP-UHFFFAOYSA-N 420.904 3.895 0 1 HHAF Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c2ccccc21 100633201 SMBXZRPOITXFSE-KSSFIOAISA-N 405.523 3.852 0 1 HHAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 101444565 DPRKRTXBKMPZFO-AKAXFMLLSA-N 423.579 3.958 0 1 HHAF O=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1 199847120 NNTPVJXBORPEGC-UHFFFAOYSA-N 411.867 3.557 0 1 HHAF Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3ccccn3)c2n1 223661994 XZLMCCYJBHTARH-GFCCVEGCSA-N 407.478 3.805 0 1 HHAF COc1ccc(OC)c(-c2oc3c(OC)c(OC)c(OC)cc3c(=O)c2OC)c1 238775794 VFCQDIMKNSYQHX-UHFFFAOYSA-N 402.399 3.512 0 1 HHAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895140 QOKJYSJOKXQAOX-UHFFFAOYSA-N 407.495 3.640 0 1 HHAF Sc1nc(S)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 586997382 BSPQPANDFAGBQX-UPHRSURJSA-N 409.290 3.592 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(OC)ncc3[nH]2)c1 587049611 SCBNLVOLQKVGBF-UHFFFAOYSA-N 415.881 3.930 0 1 HHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)(C)C 587204575 KMAIZYUGDDSEEN-IBGZPJMESA-N 416.566 3.877 0 1 HHAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239127 IBXZDENXGLZXBQ-FKWBGFQESA-N 407.902 3.561 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnc3c1OCCO3)CC2=O 587460659 VJPOBRBBOVSBOV-HNNXBMFYSA-N 420.259 3.980 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)O)CC2=O 587475106 JGQUBYYEHJPPQV-NTKDMRAZSA-N 409.482 3.655 0 1 HHAF C[C@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576919 ITUVPZGQUXOHDG-CGOGNOBXSA-N 419.433 3.942 0 1 HHAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599490 XPJXVKRGBLJRBL-CTIGNXTNSA-N 416.429 3.985 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc2c(c1)OCO2 587867704 NAUJAIHHWUJAGZ-UHFFFAOYSA-N 405.332 3.584 0 1 HHAF Nc1c([C@]2(c3ccccc3)NCCc3ccc(O)cc32)cnn1-c1ccc(F)cc1 963339739 BFFVIBSBCITRIQ-XMMPIXPASA-N 400.457 3.737 0 1 HHAF Cn1c(NCCc2ccc(-c3ncc(F)cn3)cc2)nc2cc(Cl)ccc2c1=O 1772627202 RLMHYTWUEMYOHO-UHFFFAOYSA-N 409.852 3.838 0 1 HHAF CNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 581879 BGKIREVCNUFEMA-UHFFFAOYSA-N 408.880 3.650 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCOC)c1 4207579 PTHHJTAUDITOBS-PZJWPPBQSA-N 416.905 3.983 0 1 HHAF Nc1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 13487918 DAGCAMFZZCLQGL-HNNXBMFYSA-N 423.366 3.875 0 1 HHAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1ccc(F)cc1 28702114 FKIGGPSDLUPIQN-GOSISDBHSA-N 412.421 3.577 0 1 HHAF CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H]5C(=CC[C@@H]23)C(=O)O[C@]5(O)C[C@@]4(C)O)O1 38427612 ABMVTHXMVSOQJZ-ZWJNNELISA-N 416.558 3.885 0 1 HHAF COc1cc(C(=N)NC(C)C)ccc1-c1cn(-c2ccc(C(=N)NC(C)C)cc2)nn1 45335720 ISDFNQIYIMEBJA-UHFFFAOYSA-N 419.533 3.590 0 1 HHAF c1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCN2CCCCC2)cc1 82178375 GITMYIWTMJHACH-UHFFFAOYSA-N 413.529 3.986 0 1 HHAF COc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C[C@@H](O)c1cc(OC)c(OC)cc1-2 84604649 HTEYDMOVAVRCBZ-JKSUJKDBSA-N 411.376 3.536 0 1 HHAF Cc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C 95583153 NRCUPZIYVFPUPM-UHFFFAOYSA-N 401.467 3.908 0 1 HHAF COc1ccccc1-c1cccn2nc(Nc3ccc(N4CCOCC4)cc3)nc12 96169535 XPMADOIEAZDSIP-UHFFFAOYSA-N 401.470 3.985 0 1 HHAF COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175352 LXEZJBNRKHCPSS-BLLLJJGKSA-N 400.475 3.508 0 1 HHAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@H]32)cc1 98084650 MMAVPPVRNUUMCW-DHLKQENFSA-N 409.493 3.930 0 1 HHAF CCCC[C@]12C[C@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 101059799 HXVDIINIFFRSGI-YADHBBJMSA-N 411.889 3.848 0 1 HHAF COc1ccc(Nc2nnc(-c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)o2)cc1 103284630 RPASNUFKQJLVNG-UHFFFAOYSA-N 409.833 3.997 0 1 HHAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccc(C)cc4)C[C@H]3C2)n1 116826371 FOQWGXBQBIJWCV-PMACEKPBSA-N 414.509 3.669 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cn1 141104339 ACZAFEQDAPBKEG-VQTJNVASSA-N 407.470 3.657 0 1 HHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCCCCO)cn1 143174828 ZSQDQUNOCBGSLV-UHFFFAOYSA-N 409.486 3.907 0 1 HHAF Cc1ccccc1COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O 220169731 LRJXFCQOLQBJHW-OAQYLSRUSA-N 418.493 3.912 0 1 HHAF CCC(=O)[C@H]1[C@H](c2ccc(I)c(F)c2)C[C@H]2CC[C@H]1N2C 253685771 MFXOPVPJQXKRIK-LRHZJYQRSA-N 401.263 3.976 0 1 HHAF O=C(CCSc1nc(O)c2ccccc2n1)N[C@H]1CC[C@H](Oc2ccccn2)CC1 299847267 LKLUJAFKWQGZNH-WKILWMFISA-N 424.526 3.719 0 1 HHAF C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 473089014 QHNFDBKBHPJNLW-SNVBAGLBSA-N 401.312 3.714 0 1 HHAF Nc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(-c4ccccc4)nc3=O)o2)cc1 473131280 NXUGNUNUQPRQIH-UHFFFAOYSA-N 422.448 3.653 0 1 HHAF CC(C)(CO)[C@@H](O)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586900178 ARFIQNAZNXHBLY-INIZCTEOSA-N 407.392 3.886 0 1 HHAF Cc1cc(F)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 586950998 PUWTZLVQJIAQRR-UHFFFAOYSA-N 402.495 3.943 0 1 HHAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)ncnc4[nH]3)CC2)cc1 586954390 BRFDAQGIDCSUGX-UHFFFAOYSA-N 419.938 3.698 0 1 HHAF O=[S@](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(c1ccccc1)c1ccccc1 586960945 RAYUTTITUVISAW-SSEXGKCCSA-N 414.494 3.577 0 1 HHAF Cc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1C 587000265 PNBBWSVQTPKJDL-UHFFFAOYSA-N 400.276 3.910 0 1 HHAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(CCO)cc3[nH]2)c1 587153966 GVCBSIHLGLDVNW-UHFFFAOYSA-N 411.458 3.705 0 1 HHAF COC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587198685 PWCOBXWYXZJJEG-UHFFFAOYSA-N 400.438 3.875 0 1 HHAF COc1cc2c3c(c1)O[C@@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)[C@@H](C2)C3=O 587454147 WJMGWZMQSSXWIN-KSFYIVLOSA-N 414.479 3.922 0 1 HHAF C[C@@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518340 GFQVSYISGBTTIQ-QPPBQGQZSA-N 404.466 3.651 0 1 HHAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593423 DCYQQPJJGBOUBJ-FDDCHVKYSA-N 412.438 3.661 0 1 HHAF O=C(O)c1cc2c(c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)OCOC2 587610570 PTMNIORWPMDFMV-XMSQKQJNSA-N 420.373 3.660 0 1 HHAF C[C@H]1CN(C[C@@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587763424 YZMKNGCFWGITSK-VOMKJEOTSA-N 411.359 3.839 0 1 HHAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC 587806235 JGSGFKBVSQWFQV-VVVCHXIZSA-N 424.266 3.927 0 1 HHAF Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 587837553 IOPMHOWGMXZDSZ-APEXYLGGSA-N 418.262 3.890 0 1 HHAF CCOC(=O)[C@@H]1Cc2ncccc2[C@]12c1ccsc1CCN2Cc1cccnc1 963000702 WRERTMCTOJKPCK-CVDCTZTESA-N 405.523 3.575 0 1 HHAF COc1cc2nc(/C=C/c3ccc(F)cc3)[nH]c(=NCCCN(C)C)c2cc1OC 1857538999 YVQYQQAGLADGRU-DHZHZOJOSA-N 410.493 3.742 0 1 HHAF Cc1cccc(N2CCN(CCC(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)c1C 1857650855 XNRHBZXLFAHYIW-UHFFFAOYSA-N 417.553 3.534 0 1 HHAF CNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F 1857751311 WFMOCUXMSBKEJK-UHFFFAOYSA-N 406.145 3.812 0 1 HHAF C[C@]1(O)CCN(Cc2cccnc2)[C@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356289435 VSPSOGBFHOXYCS-OYRHQHFDSA-N 419.500 3.717 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356653120 BCPZDSVCYKERMU-BGYDDNDRSA-N 420.590 3.745 0 1 HHAF CC(=CCC[C@@](C)(O)CCCC1=CCN(CC(=O)O)C1=O)CCC[C@@H](C)CC(=O)O 2356835683 KUDATKSTLWHADF-WZONZLPQSA-N 423.550 3.769 0 1 HHAF COC(=O)[C@H]1CC2=C(CN1CC1CCCCC1)N(Cc1ccc(Cl)cc1)[CH]N2 2356849477 LXJSFTHOOMSIGD-HXUWFJFHSA-N 402.946 3.904 0 1 HHAF CCc1cnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 28711637 KOMOTGZFANWMQH-UHFFFAOYSA-N 408.880 3.566 0 1 HHAF CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c(C)cc(Cl)c2c1OC(C)=O 28871789 VCZUYRWJYMFGOZ-UHFFFAOYSA-N 408.790 3.503 0 1 HHAF Cc1ccccc1O[C@@H](c1ccc(I)s1)[C@H]1CNCCO1 28881329 JUSXNKNTQUSUJZ-CZUORRHYSA-N 415.296 3.770 0 1 HHAF Nn1c(-c2ccccc2)cn2c(=O)c3c(-c4ccccc4)c4c(nc3nc12)CCCC4 29057263 ZFMSVHSSYZUOPD-UHFFFAOYSA-N 407.477 3.971 0 1 HHAF COc1ccc(-c2cc(C(=O)N[C@H](Cc3nc4ccccc4[nH]3)C(=O)O)c(C)o2)cc1 45353932 AXQQYBVKSOBJAU-LJQANCHMSA-N 419.437 3.566 0 1 HHAF COCCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(-c3cn[nH]c3)cc2s1 49032782 JOLYRRPJAITDGY-UHFFFAOYSA-N 422.510 3.984 0 1 HHAF C[C@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 49047763 VMKBNLCHMKVTEY-INIZCTEOSA-N 413.481 3.545 0 1 HHAF COc1ccc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1Br 58590851 WEWGGESBGWHEDB-UHFFFAOYSA-N 420.263 3.731 0 1 HHAF C[C@@H]1CC[C@H](Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1 118561258 NJSXHZBXICPOJY-MJGOQNOKSA-N 413.481 3.888 0 1 HHAF Cc1ccccc1-c1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142132139 MQKIWEAHSLYCLV-GOEBONIOSA-N 408.462 3.989 0 1 HHAF CNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709659 GPQPWMTVNNBKFG-KKSFZXQISA-N 410.518 3.518 0 1 HHAF CC(=O)OCC[C@@H](CC[C@@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(CO)=CCC[C@@H]21)COC(C)=O 238775918 YKWCXQIXDCCPFA-OFFIMBHTSA-N 424.578 3.641 0 1 HHAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 586946306 JNDBRKMXLILDKB-QGZVFWFLSA-N 411.527 3.566 0 1 HHAF COC(=O)c1ccnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 586984130 ILJKUQHGXDDEBW-MRXNPFEDSA-N 415.291 3.692 0 1 HHAF CN(C)CCOc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007870 UEXYTGAIPZNNPU-UHFFFAOYSA-N 400.280 3.809 0 1 HHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@@H](C(=O)O)[C@H]4C)-c1ccccc1C2=O 587102151 SMDWKQPDMZTRIE-PJQXDXOGSA-N 401.418 3.816 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C[C@H]1CCCO1 587197066 HSYCITUPHPYBDX-CQSZACIVSA-N 415.469 3.804 0 1 HHAF O=C(NCCc1nc2c(Cl)c(Br)cnc2[nH]1)OCc1ccccc1 587228564 OAWPWBFEHMXCBB-UHFFFAOYSA-N 409.671 3.843 0 1 HHAF COc1cccc(C[C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587353541 QXRFKPLKBBFZJP-XUZZJYLKSA-N 422.408 3.965 0 1 HHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)OC)CC2=O 587473978 BINLKQGFMCTBJQ-NLFFAJNJSA-N 423.509 3.744 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(C)(=O)=O)c(OC)c1)CC2=O 587481189 AHVLMBRADNJTDF-NRFANRHFSA-N 404.484 3.637 0 1 HHAF CCOC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587529621 BPHACOWEWWBSMD-DEOSSOPVSA-N 406.434 3.971 0 1 HHAF CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541246 AABBCIUJNZDKAX-RDTXWAMCSA-N 411.237 3.850 0 1 HHAF COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600191 MTWJRGBJWYFJRQ-QPPBQGQZSA-N 420.417 3.821 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 587773016 HESPVOVPWPSSFD-PRWKNARSSA-N 412.262 3.613 0 1 HHAF Cn1cc([C@@]2(CC(=O)C(F)(F)F)c3ccsc3CCN2Cc2ccco2)cn1 962706948 HCGBXWRNNTWVAF-SFHVURJKSA-N 409.433 3.898 0 1 HHAF CCC[C@H](N1CCCC1)[C@@]1(c2ccc3c(c2)OCO3)NCCc2c1c(C(C)C)nn2C 962922938 SHBDOYQRJZRNNE-WIOPSUGQSA-N 424.589 3.926 0 1 HHAF COc1ccc2c(c1OC)[C@]1(CCCC[C@@H]1N(C)C)N(C(=O)c1ccccc1N)CC2 963161589 UKAJYBWYHCZZOF-SQJMNOBHSA-N 423.557 3.684 0 1 HHAF C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc(Br)nc2S1 1772620078 AOLIECSILYWGQB-GFCCVEGCSA-N 410.215 3.883 0 1 HHAF O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)NOC2CCCC2)ccc1F 1857647494 RVAMBVPMQZMGNC-UHFFFAOYSA-N 414.405 3.509 0 1 HHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(-c2cncn2C)o1 2356835738 PVOQSJZKMPTAJW-GUDVDZBRSA-N 407.542 3.619 0 1 HHAF CCOC(=O)N1CCc2cc(O)ccc2[C@@H]1c1ccc(OCCN2CCCC2)cc1 12353862 KUEZQAQZOUTJKW-QHCPKHFHSA-N 410.514 3.971 0 1 HHAF CCOC(=O)c1noc2ncn(Cc3nc(-c4ccc(C(C)C)cc4)oc3C)c(=O)c12 13362640 YOXHSBOEXNPFEW-UHFFFAOYSA-N 422.441 3.696 0 1 HHAF C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O 13674851 DXVUFDJAEHWWRG-QGZVFWFLSA-N 404.514 3.642 0 1 HHAF C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)C=C(C)C)[C@@H]1[C@H]2OC(=O)C(C)C 14407472 DOZBNAYGGAIJEJ-UCPOSLAXSA-N 418.530 3.988 0 1 HHAF biogenic CCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 27635441 CSGNJJPECMCVPC-UHFFFAOYSA-N 404.002 3.698 0 1 HHAF C[C@@H](c1ccc(F)cc1)N([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 28957757 WOOFTKZTKCJEBG-IFXJQAMLSA-N 424.925 3.900 0 1 HHAF Cc1ccc(O)cc1Nc1cc(NCCCN(C)C)nc(-n2cnc3ccccc32)n1 36187678 MVKGUNMZRDVMIG-UHFFFAOYSA-N 417.517 3.937 0 1 HHAF C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308671 NUSBNPJDZNYDIC-WDSOQIARSA-N 417.571 3.760 0 1 HHAF Cc1nnc(C)n1C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 40394936 ZHSPLCRKVQNOGM-SBUREZEXSA-N 409.578 3.968 0 1 HHAF CN1CC[C@]23Cc4nc5ccc(Cl)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95561655 NYULLNAJUDRBEW-WXFUMESZSA-N 406.913 3.622 0 1 HHAF O=C(CCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 96931566 BTTAEFUAWNWJJB-QHCPKHFHSA-N 412.493 3.862 0 1 HHAF Cc1ccn2ncc(C(=O)Nc3cc(Cl)ccc3OC3CCC(O)CC3)c2n1 113654291 BLPAFSVQBNWVFX-UHFFFAOYSA-N 400.866 3.626 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCCN3)CC2)cc1)N1Cc2ccccc2C1 166869550 ZVAOLQXGKIRCTE-VWLOTQADSA-N 418.541 3.983 0 1 HHAF Cc1ccccc1CCNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167023973 MLVUCJICEQVNRS-UHFFFAOYSA-N 401.510 3.520 0 1 HHAF N[C@@H](N=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587001906 AJKRZKIPXIQRJQ-MGNBDDOMSA-N 415.247 3.685 0 1 HHAF O=C(/C=C\c1nc2cc(Br)cc(C(=O)O)c2[nH]1)Nc1ccc(F)cc1 587167826 XPPGOXLDSBSTAD-WAYWQWQTSA-N 404.195 3.815 0 1 HHAF FC(F)(F)Oc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186658 NPTFZLRRZYJWRN-UHFFFAOYSA-N 406.105 3.523 0 1 HHAF CCOC(=O)C(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345786 GPMIDEGADXUFEL-NFBKMPQASA-N 412.413 3.561 0 1 HHAF COc1cc2c3c(c1)O[C@]1(CCc4c(I)cccc41)[C@@H](C2)C3=O 587428751 QNXTWCHPJWLRAF-LIRRHRJNSA-N 418.230 3.889 0 1 HHAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2nc(N)oc12 587576824 PUXVGRSQZLWNQM-FXAWDEMLSA-N 404.378 3.827 0 1 HHAF Cc1cc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n2n1 587585499 DZPJLLHOGYYQJB-NFBKMPQASA-N 401.422 3.929 0 1 HHAF COCCn1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587756877 MPBBGOXBGTYGSI-JEOXALJRSA-N 410.331 3.846 0 1 HHAF CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587770023 HPYZZJYOJJUESQ-JEOXALJRSA-N 407.283 3.958 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 587770221 RJYDJNMJBFLKJG-JEOXALJRSA-N 409.299 3.766 0 1 HHAF Cc1cc(C)c([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587826091 KAFDDOXELHOICR-XCLFUZPHSA-N 408.311 3.602 0 1 HHAF CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccccc2)CC1 653799596 NHIJPUMRKSHLBI-UHFFFAOYSA-N 416.587 3.974 0 1 HHAF CCc1c(CC2CCCCC2)n(COCc2cccc(Cl)c2F)c(=O)n(O)c1=O 1772587765 VKRQVTUPHZRMOW-UHFFFAOYSA-N 424.900 3.899 0 1 HHAF CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(C)C2 1772627243 WVNJJQCGMGXTTA-UHFFFAOYSA-N 417.504 3.611 0 1 HHAF NCCNC(=O)C(CN)(Cc1cccc2ccccc12)Cc1cccc2ccccc12 1857595960 YRHPBLOLNHRDSQ-UHFFFAOYSA-N 411.549 3.798 0 1 HHAF Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12 1857614532 GZUIXWVKCXTCGT-UHFFFAOYSA-N 407.495 3.565 0 1 HHAF CO[C@H]1OC(=O)C=C1[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356348917 LBQAJSQYOAWBOD-GSBCQIRHSA-N 404.547 3.577 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)O[C@]34CC(=O)O[C@]3(C[C@H]2C[C@H]1O)C(C)=CC(=O)O4 2356596855 QXBTVKIEYQTEJB-DROZBKFOSA-N 416.514 3.740 0 1 HHAF CC(=O)OC[C@]1(C)[C@H](O)[C@H](OC(C)=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@@H]12 2356812573 BKDBTIRJFPQKQL-GCWMNCCDSA-N 418.530 3.782 0 1 HHAF COc1cccc(OC)c1-c1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)O)cc1 27845565 ZWTNWDWPPZZGCJ-LJQANCHMSA-N 405.450 3.797 0 1 HHAF CCN1CCC[C@@H](Cn2c(-c3ccccc3OC)nc3ccc(OC)cc3c2=O)C1 28711884 YFYZDRDBSOIHOR-QGZVFWFLSA-N 407.514 3.813 0 1 HHAF NC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 45367840 PWFGWIVOXGUGQX-UHFFFAOYSA-N 405.254 3.938 0 1 HHAF Cn1c(-c2ccc(NC(=O)CN3CCOCC3)cc2)nc2cc(C(F)(F)F)ccc21 49070842 LKILHHZOFPJMLJ-UHFFFAOYSA-N 418.419 3.530 0 1 HHAF C[C@@H]1N[C@@H](C)[C@@H](C)N(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)[C@H]1C 64454536 ODRYYALTRCCVOI-XWLWVQCSSA-N 416.736 3.776 0 1 HHAF COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCCNC5)c4n3)cnc2c1 103240616 TXAFYFWHBVJGHQ-LJQANCHMSA-N 418.497 3.706 0 1 HHAF COc1ccc(CN2CC(=O)[C@@H](SCc3cccc(C(F)(F)F)c3)C2=O)cc1 169693702 ODJMZITUTJYLFQ-GOSISDBHSA-N 409.429 3.927 0 1 HHAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1F 224818695 TXQXAIGAJJZWPI-UHFFFAOYSA-N 400.479 3.609 0 1 HHAF COc1ccc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c(OC(C)=O)c1OC 238756048 SXEQEBYATBYGHH-UHFFFAOYSA-N 423.421 3.771 0 1 HHAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2c1 586925240 GDWMNUHGORLMGY-UHFFFAOYSA-N 423.288 3.573 0 1 HHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 586931288 ZZIUASOPSRTLBV-UHFFFAOYSA-N 424.320 3.729 0 1 HHAF O=C(O)c1cccnc1SCc1nc2ccc(I)cc2[nH]1 586969286 VNKWPMAZPHRANQ-UHFFFAOYSA-N 411.224 3.553 0 1 HHAF Clc1ccc(-c2nnc(CCc3nc4ccc(CN5CCOCC5)cc4[nH]3)o2)cc1 587077587 XHEQEFDTWJJBGU-UHFFFAOYSA-N 423.904 3.884 0 1 HHAF CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437833 KCDBKGOYDYXOTD-OSPHWJPCSA-N 404.466 3.688 0 1 HHAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1conc1C(=O)OCC)CC2=O 587487894 YJPPQTGNEWMVQJ-QHCPKHFHSA-N 422.437 3.813 0 1 HHAF COc1cc(N)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587749381 PBNVQUOJNHCHSD-GIGQVBGESA-N 409.299 3.985 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2nccn2C)N1 587753013 GZJXUXDYDJVPBU-FKIZINRSSA-N 415.310 3.730 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 587767581 RVNOQVQJGUFSQX-SZNDQCEHSA-N 418.354 3.964 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 587842422 DRKVQQPTBZLWRX-BLVKFPJESA-N 424.335 3.934 0 1 HHAF NC(=O)N1CCc2sccc2[C@@]12c1cccc3c1N(CC3)C(=O)[C@H]2c1ccccc1 962703663 DTGNTEQWCWKXQN-YKSBVNFPSA-N 415.518 3.615 0 1 HHAF CC(C)(C)OC(=O)N1CCC([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)CC1 963226269 DQWQCHQSUQIMJH-PMACEKPBSA-N 411.502 3.522 0 1 HHAF CCOC(=O)Nc1snc(C)c1[C@]1(C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963643187 ZKZITYJVRCLDCV-GIPWTMENSA-N 405.520 3.835 0 1 HHAF NC(=O)c1c(-c2ccc(OC3CCCC3)cc2)nn2c1NCC[C@H]2c1ccccc1N 1772628051 ACIRSFOTMBSIRX-FQEVSTJZSA-N 417.513 3.958 0 1 HHAF CNC(=O)c1cccc([C@@](O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1 1857588858 WBJXJKJMBCJUJZ-QHCPKHFHSA-N 405.885 3.871 0 1 HHAF O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 104012854 VFWAQOYRNFFDDW-ZBFHGGJFSA-N 424.810 3.728 0 3 HHAF Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@H]3N2C)o1 253916556 MIZKCYNMSIRCPU-NBHSMZAVSA-N 419.312 3.936 0 3 HHAF CC[C@@H]1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O 3810269 MXNDYFGCAIMNEX-SNVBAGLBSA-N 418.298 3.744 0 1 HHAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 4050151 KCXUQGQAGCNPRK-FBPBVXOASA-N 408.498 3.597 0 1 HHAF Cc1cc(C)n(CCc2nc3c4ccccc4nc(NCCCOC(C)C)n3n2)n1 6805491 VWGMVKNLLZJMAO-UHFFFAOYSA-N 407.522 3.561 0 1 HHAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C1 8623962 ORZWQDQXNBAFNB-WOJBJXKFSA-N 409.530 3.968 0 1 HHAF biogenic O=C(Nc1cccc(Br)c1)Nc1cc(Cl)ccc1S(=O)(=O)O 13586808 FUZOGGHSNBXLIL-UHFFFAOYSA-N 405.657 3.993 0 1 HHAF CCCCn1nc(C)c(C(N)=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13761004 JRJMRXQWRZUUAH-UHFFFAOYSA-N 415.501 3.528 0 1 HHAF CCN(CC)C(=O)N(C)CC(=O)c1cccc(OCc2nc3ccccc3n2C)c1 26181798 PNNFGRAHHZLXAM-UHFFFAOYSA-N 408.502 3.729 0 1 HHAF CCOC(=O)c1ccc(CO[C@@H](COCc2ccc(OC)cc2)Cn2ccnc2)cc1 29347888 AQVQUAZYWVZNBT-HSZRJFAPSA-N 424.497 3.871 0 1 HHAF Cc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(S(C)(=O)=O)cc1F 43196299 IXSKNUYJVTZORV-UHFFFAOYSA-N 411.451 3.708 0 1 HHAF COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CC[C@H]2CCCN2C)ccc1O 82179887 LCLZIRMQZIHEQA-QGZVFWFLSA-N 422.533 3.514 0 1 HHAF CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3ccccn23)c1F 113515409 XQVSRTFBHRXEFG-UHFFFAOYSA-N 410.858 3.531 0 1 HHAF COC(C)(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167290104 FAUNRQNUBDUHEO-UHFFFAOYSA-N 420.513 3.670 0 1 HHAF Cc1cc(C(F)(F)F)ccc1-c1c(-c2nn(C)c3ncnc(N(C)C)c23)cnn1C 169706123 MYHVQKOQDMOOAG-UHFFFAOYSA-N 415.423 3.824 0 1 HHAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@H](c3ccc(F)cc3)C[C@H]2C1 253694040 AORBODFCLVZZFJ-UAGQMJEPSA-N 417.912 3.820 0 1 HHAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(F)cnc3[nH]2)CC1 586955324 VSMKKVQFAIXHOP-UHFFFAOYSA-N 410.474 3.819 0 1 HHAF COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 587241089 YZHMKHMLBQZLHR-YDZGXFTCSA-N 402.495 3.522 0 1 HHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587258319 GRAAMASBFKAJEW-LAUBAEHRSA-N 402.458 3.859 0 1 HHAF COC(=O)COc1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377990 RASODBGJASLBPE-QGZVFWFLSA-N 420.259 3.598 0 1 HHAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cccc(Cl)c1)CC2=O 587462954 RVGMUQULOUGQBP-JOCHJYFZSA-N 416.857 3.991 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471880 WEROPBZGDJEHNK-UONOGXRCSA-N 405.491 3.941 0 1 HHAF COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526231 SBWBPMYMXYJVAW-XMMPIXPASA-N 408.450 3.567 0 1 HHAF CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587566693 XMRUVILPEFSOGW-UHFFFAOYSA-N 406.376 3.640 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(Cl)cc12 587569701 IVUYGWPYLCOVEO-UTKZUKDTSA-N 411.772 3.994 0 1 HHAF CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2C 587597564 VTCHPOSNPWGZNP-HYBUGGRVSA-N 401.418 3.788 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602318 HUGNEDVBLGLVHG-RDPSFJRHSA-N 418.401 3.602 0 1 HHAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 618006360 LSGDYBFRKGUBHS-UHFFFAOYSA-N 407.398 3.623 0 1 HHAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(-c3ccccn3)[nH]n2)N1 963174084 QBNWICQSCFPWDS-WMLDXEAASA-N 422.794 3.832 0 1 HHAF Cc1cc(C)nc(SCC(=O)Nc2cccc(Nc3ccccc3C(N)=O)c2)n1 1857619226 TWTPPOVCBVJGKQ-UHFFFAOYSA-N 407.499 3.667 0 1 HHAF NC(=O)c1ccc(-c2nc(=Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3[nH]2)cc1 1857635436 UHUGFQOKNTWXJT-UHFFFAOYSA-N 404.861 3.815 0 1 HHAF COc1cc(-c2cc(C(=O)O)cc3cc(OC)c(O)c(OC)c23)cc(OC)c1O 2356323517 BWPZSCVLKKZAER-UHFFFAOYSA-N 400.383 3.651 0 1 HHAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@@H](Cc3nc4cccc(OC)c4[nH]3)C2)cc1 2356685965 MXSGRVGLKBRYTN-MSOLQXFVSA-N 423.513 3.736 0 1 HHAF CCOCc1c(O)cc(C)c2c1Oc1cc3c(c(C)c1OC2=O)C[C@H](O)C(C)(C)O3 2356855346 RCLMCNQLMYPAFZ-SFHVURJKSA-N 414.454 3.945 0 1 HHAF CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1C 2459791 JNZMNQVFIPASOT-HUUCEWRRSA-N 406.548 3.890 0 3 HHAF COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)OCCF)on2)c(C)c1 61903646 BZZNRWDXQVESCB-KRWDZBQOSA-N 405.426 3.877 0 3 HHAF CCc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1cccc(OC)c1 40011283 CZKWXVOSEFJZFY-UHFFFAOYSA-N 414.465 3.663 0 1 HHAF CCCCC[C@H](O)/C=C/C=C(/CCCC[C@H](CCC(=O)O)NCC)C[C@H](O)CO 85490941 JCSCLTATSIYKRI-VGWZNDKKSA-N 413.599 3.557 0 1 HHAF biogenic,in-vitro COc1ccccc1CN1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1 95794530 GRDFPAHEYAVZPB-AZGAKELHSA-N 414.549 3.910 0 1 HHAF O=C(C1CC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95873218 LSOIOBVNZPBSCS-TZRRMPRUSA-N 408.517 3.654 0 1 HHAF O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F 95894363 UCMLOBLUNXRBKB-SMIHKQSGSA-N 420.459 3.954 0 1 HHAF COc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnn3)c1)=N2 101146645 CTYSQPFUDGNBKL-UHFFFAOYSA-N 401.348 3.758 0 1 HHAF CN1C2=N[C@@H]3C=CC(Br)=C[C@@H]3C2=C(NCCCN)c2cc(Cl)ccc21 103186526 NFOMQZYFCYFMCN-DZGCQCFKSA-N 419.754 3.685 0 1 HHAF Oc1c2nc3ccc(Cl)cc3c-2ncn1CCN1CCN(Cc2ccccc2)CC1 103904093 RMWYQSZKBMDUGM-UHFFFAOYSA-N 421.932 3.713 0 1 HHAF C[C@H](NC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1)C(=O)O 144816495 ZHYVTSLVFAXKHU-MOPGFXCFSA-N 408.542 3.902 0 1 HHAF Nc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)cs1 145046926 OIJUAOFHVQHSKX-GHMZBOCLSA-N 406.462 3.570 0 1 HHAF c1ccc(Cn2cc(-c3cnc4nnc(Cc5ccc6ncccc6c5)n4n3)cn2)cc1 200622460 BVJORHCDINGEOS-UHFFFAOYSA-N 418.464 3.570 0 1 HHAF CC(C)(SCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)O 586958400 FEFNSFHBZQBYOF-UHFFFAOYSA-N 409.103 3.579 0 1 HHAF CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060599 BBAQLXRBCVTIPE-QRWLVFNGSA-N 410.905 3.995 0 1 HHAF OC1(c2nc3cc(I)cnc3[nH]2)CCC(C(F)(F)F)CC1 587125895 HIUKLQKPOLZWAM-UHFFFAOYSA-N 411.165 3.503 0 1 HHAF CCOC(=O)[C@H](CC)[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351766 UZDRYIVLNNXGTQ-LEDOBFOHSA-N 416.445 3.865 0 1 HHAF Cc1nc(O)nc(S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370744 AYSQSUMGIXANBT-UWJYYQICSA-N 412.442 3.898 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O 587412716 JYIKSXYNJMBCEP-BUXKBTBVSA-N 405.244 3.964 0 1 HHAF Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)n3ncc4ccc(Cl)cc4c3=O)ccc12 587652664 YBKDRIUXHKIEAS-LBPRGKRZSA-N 410.813 3.572 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](N)Cc1ccc(O)cc1 587865940 PYFFZAKOFJFSIC-KRWDZBQOSA-N 419.403 3.883 0 1 HHAF O=C(C[C@]1(c2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)C1CC1 962662568 IJACLRCMSDYLLO-IZZNHLLZSA-N 414.505 3.946 0 1 HHAF O=C1C[C@H](c2c(F)cccc2Cl)C[C@]2(C1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962902790 SVRXTLNGJLMNDB-JPHFQCMKSA-N 405.828 3.949 0 1 HHAF COc1cccc2c3c(cnc12)CCN[C@]3(CC(=O)c1ccccn1)C(F)(F)F 963044113 BZJKTGULHFKWIN-FQEVSTJZSA-N 401.388 3.815 0 1 HHAF C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(CC(F)(F)F)c2c(O)nc(=O)[nH]c21 1857761296 OQMRFLKHFNZIRH-ZETCQYMHSA-N 406.286 3.558 0 1 HHAF CC1=CCC(C)(C)C=CC[C@]2(C)OC3=CC(=O)O[C@]4(C)CC(=O)O[C@]34C[C@@H]2C[C@@H]1O 2356728308 FWDUNYAYYMYOQL-JEUWSDKYSA-N 416.514 3.740 0 1 HHAF CCOc1ccc([C@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 136999716 CKEPQPIYXHXWEK-HXUWFJFHSA-N 401.484 3.540 0 3 HHAF c1cnc2ccc([C@@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 263592284 YEJHRWFRUUSJMJ-GMAHTHKFSA-N 417.561 3.596 0 3 HHAF COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCC1)[C@H](c1cccs1)N(C)C2=O 2459439 OQBGBTXTMKZHRX-PMACEKPBSA-N 414.527 3.688 0 1 HHAF CC(C)c1c(C(=O)NCc2cccnc2)cnn1-c1nccc(-c2cccs2)n1 12028782 FFPUFSMJBCIIMU-UHFFFAOYSA-N 404.499 3.839 0 1 HHAF CN1CCN(Cc2ccc(-c3cc4onc(-c5ccccc5)c4c(=O)n3C)cc2)CC1 28879252 DGAIEYJJQNSIGM-UHFFFAOYSA-N 414.509 3.608 0 1 HHAF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CC(N)=O)c1=O 29208586 PVERJLDVPDQNLX-UHFFFAOYSA-N 416.264 3.572 0 1 HHAF COc1ccccc1OCCNC[C@@H](O)COc1ccc2[nH]c3ccccc3c2c1 33949592 BHNLFXNCZURVOM-QGZVFWFLSA-N 406.482 3.738 0 1 HHAF CC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 34545093 KCDVXFDIZSOZEG-UHFFFAOYSA-N 405.380 3.904 0 1 HHAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)OC1CC1)[C@H](c1ccc(I)cc1)C2 36271082 XVJBDXSALDAGPI-QMCVQRASSA-N 411.283 3.563 0 1 HHAF CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)CC1 40917887 YJXDXVFQDXTCIT-UHFFFAOYSA-N 419.533 3.642 0 1 HHAF Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CC(=O)O)Cc1ccccn1 40935427 XDWLKRRDVTYYHE-UHFFFAOYSA-N 419.359 3.791 0 1 HHAF CNc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)cn1 45352912 BYGIHAUICYFPGC-UHFFFAOYSA-N 403.413 3.991 0 1 HHAF CCOc1ccccc1-c1nc(C(=O)N[C@H](CO)COCc2ccccc2)cs1 82074343 DFRQQMQWKVUXAK-QGZVFWFLSA-N 412.511 3.516 0 1 HHAF CS(=O)(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1 100636765 GDDOTOLTBYQWDB-HDICACEKSA-N 421.632 3.659 0 1 HHAF O=C(c1cc(Br)n[nH]1)N(Cc1cccc2[nH]c(=O)sc12)CC1CCC1 103232620 JFZPSVRZFCOPIB-UHFFFAOYSA-N 421.320 3.518 0 1 HHAF O=C1NCCc2ccc(OCCCN3CCN(c4cccc5sccc45)CC3)cc21 115095396 ZCVYWZZKFYUXJC-UHFFFAOYSA-N 421.566 3.778 0 1 HHAF Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 117179423 KCZNIYARWQILNB-UHFFFAOYSA-N 416.497 3.979 0 1 HHAF O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ncc(CO)cc2Cl)CC1 141061990 HUJKZBCQGWPATB-UHFFFAOYSA-N 412.799 3.962 0 1 HHAF O=C(Nc1cc(C2CC2)on1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21 201327920 HOFIJJHPMWDMBV-UHFFFAOYSA-N 416.441 3.815 0 1 HHAF O=C(NCc1c(Cl)cc(Cl)cc1Br)[C@@H]1COc2ncccc21 205625734 CPNMRHDPBLHWCX-LLVKDONJSA-N 402.075 3.943 0 1 HHAF COc1ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2c1 586944127 LIYHDZBQTGCVRK-UHFFFAOYSA-N 413.524 3.821 0 1 HHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(I)c3[nH]1)C2 587246252 FFTPSXKDZLPRAY-SFHVURJKSA-N 419.266 3.519 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)O2 587393404 HZXWIENOMFRREW-MFEFFIJZSA-N 410.514 3.772 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(C(=O)OC)cc1)CC2=O 587472134 XJTSMENWIYHOHO-QHCPKHFHSA-N 411.454 3.884 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnn(C)c2)(C(F)(F)F)N1 587708168 ZNTMFCWNPMOLAU-VFZGTOFNSA-N 406.221 3.856 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cn(C)c3ccccc23)N1 587759818 VVRBQHFPSGGICQ-BIBXISHDSA-N 417.278 3.942 0 1 HHAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H](C)C(F)(F)F)c2cn1)c1ccccc1 1772645206 ZLXVMUPMCXLAIO-XHDPSFHLSA-N 422.411 3.830 0 1 HHAF COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC4CCCC4)cc3C2)cc1 1857760035 SXEMJKUSCXBGRI-UHFFFAOYSA-N 417.527 3.772 0 1 HHAF CCOCn1c(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc(=O)n(O)c1=O 1857774557 RMWYHUYJZYCOEL-UHFFFAOYSA-N 420.387 3.518 0 1 HHAF CO[C@@H]1OC(=O)C=C1CC[C@]1(O)[C@H](C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C 2356559337 GUYCSTKDTXJMPS-MGSVJEBVSA-N 408.535 3.758 0 1 HHAF Cn1nnnc1Sc1ncnc2scc(-c3ccccc3Br)c12 36380180 UZTGBDSCBZUXBJ-UHFFFAOYSA-N 405.306 3.796 0 3 HHAF COc1cc(CNC(=O)c2cc(-c3cc(OC)ccc3Cl)n[nH]2)cc(OC)c1 61927562 DLSMLFIOXBQAGA-UHFFFAOYSA-N 401.850 3.686 0 3 HHAF CSc1c(CC(N)=O)c2cc(OCCCC(=O)O)ccc2n1Cc1ccccc1 13445858 AHPLLMPVKXVOSQ-UHFFFAOYSA-N 412.511 3.683 0 1 HHAF CC(=O)Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 13799561 OTOVDVNYGNWHFS-UHFFFAOYSA-N 418.453 3.719 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4OC)OCO5)OC[C@H]23)cc1OC 14641274 VRYSIJRIXGPIBZ-HZVDNRATSA-N 400.427 3.516 0 1 HHAF biogenic COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25411581 JIVSYBDLJCZXDD-UTKZUKDTSA-N 402.494 3.651 0 1 HHAF biogenic O=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(OC(F)(F)F)c1 26834995 WOJSDTUHUDWEKT-UHFFFAOYSA-N 414.327 3.879 0 1 HHAF O=c1[nH]c(C2=C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)CC2)nc2ccccc12 28954775 QNRPIDRJRVEQLF-IBGZPJMESA-N 406.917 3.945 0 1 HHAF Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@H](C)O)c12 29128019 CRQDJKDWQXTBJT-INIZCTEOSA-N 408.546 3.965 0 1 HHAF COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)n1nnnc1C 40835079 DCKPNFMRWXOAJC-SFHVURJKSA-N 410.275 3.939 0 1 HHAF COc1ccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cc1OC 43015068 IAUZWUKARUVEJL-UHFFFAOYSA-N 417.937 3.774 0 1 HHAF Cc1nn2c(O)cc(N3CCO[C@H](C)C3)nc2c1Cc1cccc(C(F)(F)F)c1C 95583311 VZSYJSAWWUGRMT-GFCCVEGCSA-N 420.435 3.886 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)n4cc(F)c5ccccc54)ccc31)[C@H]1CC[C@@H](C2)N1 96175283 ZQLSMXSBVUVKMZ-SCLBCKFNSA-N 409.486 3.858 0 1 HHAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccncc45)ccc31)[C@@H]1CC[C@@H](C2)N1 100633026 BTMMENVDRRTWFL-KXBFYZLASA-N 403.507 3.909 0 1 HHAF O=C1CC(=O)N(C2CCCC2)C(=O)N1CCc1ccc(OCc2ccccc2)cc1 101678036 QHTVPNZLHWSHMS-UHFFFAOYSA-N 406.482 3.932 0 1 HHAF CCCN1C(=O)C(C[C@@H](C)[C@@H]2NCCc3c2[nH]c2ccccc32)C(=O)N(CCC)C1=O 103017507 ODYWGEOYZWHBHN-QRWLVFNGSA-N 424.545 3.608 0 1 HHAF CN(c1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1)S(C)(=O)=O 146672490 BRGGWUGRIPBKFT-UHFFFAOYSA-N 423.494 3.722 0 1 HHAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(C#N)cc2)c2cc[nH]c2c1=O 146777006 RPJSYVCYQXYFPX-UHFFFAOYSA-N 419.462 3.601 0 1 HHAF COc1cc(-c2cc(N[C@@H](C)c3cccc(OCC(N)=O)c3)nc(C)n2)ccc1C 205829650 DHZOHRWBLCDDHS-HNNXBMFYSA-N 406.486 3.806 0 1 HHAF Cc1nc2cccc(-c3cc4c([nH]3)C3(CCOCC3)NC4=O)c2nc1NC(C)(C)C 223434303 SLCZMHSSTXGLFD-UHFFFAOYSA-N 405.502 3.893 0 1 HHAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)cc12 226081735 FWXIKQBBCWJCQD-UHFFFAOYSA-N 408.477 3.555 0 1 HHAF C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253638204 NUSBNPJDZNYDIC-YTQUADARSA-N 417.571 3.760 0 1 HHAF O=C1N(Cc2ccccc2)c2cccn2S(=O)(=O)N1Cc1cccc(Cl)c1 473082056 FXHASKUZFAYTMC-UHFFFAOYSA-N 401.875 3.877 0 1 HHAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(C)c2[nH]1 586937093 PGFHMGFPSPNOOB-HNNXBMFYSA-N 404.561 3.656 0 1 HHAF COC(=O)c1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1OC 587001958 CAHIWFIMUILVQI-UHFFFAOYSA-N 401.220 3.664 0 1 HHAF OCCc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002687 YKXFJNPUNXSXMU-DUXPYHPUSA-N 401.260 3.802 0 1 HHAF COC(=O)c1cccc2nc(-c3ccc(OC)cc3I)[nH]c12 587180543 UODWSUDVPICWKR-UHFFFAOYSA-N 408.195 3.630 0 1 HHAF COC(=O)c1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587339421 QFPWEKSVGUGDEJ-OFNKIYASSA-N 407.397 3.987 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1Br)NC(=O)CO3)O2 587373286 TWYRWQCWXWFSMY-IBGZPJMESA-N 417.259 3.551 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)c(Br)c1)O2 587377121 LBPOUVGCKUODHK-LJQANCHMSA-N 417.303 3.883 0 1 HHAF COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422582 FHKWJXCGGIOYAI-DGIBIBHMSA-N 411.212 3.957 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)cc(Cl)c12 587568513 DRGQPIGYYKEPHG-UTKZUKDTSA-N 411.772 3.994 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)on3)c(=O)c3ccccc23)c(O)c1 587664750 IGIVBBFRTQEGGJ-UHFFFAOYSA-N 418.453 3.600 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)cnn2C)N1 587676884 GMYQORXTROJYNC-VXJOIVPMSA-N 417.120 3.882 0 1 HHAF COCCn1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587756882 MPBBGOXBGTYGSI-WLRWDXFRSA-N 410.331 3.846 0 1 HHAF Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587825794 FKGSBMFFISSGQE-YUNKPMOVSA-N 420.278 3.718 0 1 HHAF CC[C@@]1(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587962688 ZABQFZBVFVQNHP-QFIPXVFZSA-N 411.527 3.581 0 1 HHAF CCn1c(=O)c(-c2ccc(-n3cccc(C)c3=O)cc2Cl)cc2cnc(NC)nc21 653861066 NCHCHMGQMPWJRZ-UHFFFAOYSA-N 421.888 3.633 0 1 HHAF CCn1nc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c2ccccc21 962665147 LBXUWNOTMHDZHO-URXFXBBRSA-N 400.482 3.792 0 1 HHAF COc1ccc(F)c([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1F 962703547 LYRXEQUCNMQMHY-BLLLJJGKSA-N 405.294 3.820 0 1 HHAF COc1c([C@@H]2NCCc3cc4cccc(OC)c4nc32)ccnc1Br 963055857 LUGXHHFRBGUBIB-KRWDZBQOSA-N 400.276 3.645 0 1 HHAF Cc1cc2c(cc1O)[C@H](c1c(-c3ccccc3)nc3sccn13)N[C@H](C(=O)O)C2 963521447 CEAUQBQAZRBBQY-QFBILLFUSA-N 405.479 3.765 0 1 HHAF COc1ccccc1OCCNC[C@H](CO)OC(c1ccccc1)c1ccccc1 1857541533 VBVAHKVUCCAHNR-JOCHJYFZSA-N 407.510 3.831 0 1 HHAF CS(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)O)[C@@H]1c1ccc(F)cc1 1857597912 SQAJSFCKUIDIJV-ROUUACIJSA-N 409.866 3.938 0 1 HHAF CC(C)N1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857762374 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403.478 3.962 0 1 HHAF COc1cccc(Cn2nc(C)c3c(nc(C)n4nc(-c5ccccc5)cc34)c2=O)c1 36242932 DMBDPWSLQQLBSM-UHFFFAOYSA-N 411.465 3.780 0 1 HHAF CC(C)=CC(=O)O[C@@H]1C[C@@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@H]32)[C@@](O)(CO)C4)C(C)(C)C1=O 39143893 PFDDHGHYPYBSLT-FBVWZQFNSA-N 418.574 3.810 0 1 HHAF CC(=O)N[C@@H](c1ccccc1)C1CN(C2CCN(C(=O)c3c(C)cccc3C)CC2)C1 40894731 CMZXSEAOIFLVLB-VWLOTQADSA-N 419.569 3.717 0 1 HHAF COc1ccc(N2C(=S)NN=C3N(c4ccccc4)C(=O)c4ccccc4N32)cc1 40899258 MOHFIPRPVCCQMH-UHFFFAOYSA-N 415.478 3.743 0 1 HHAF COc1ccc(CCCOC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC 40934010 NYCGKXCFFNQUKP-UHFFFAOYSA-N 418.486 3.838 0 1 HHAF COC(=O)c1coc2c1C(=O)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2 40957817 NKKPANFCGMJOFW-AWEZNQCLSA-N 413.445 3.545 0 1 HHAF C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2cccc3[nH]ccc23)n1 100630871 OOEYPUFPMHMEAP-IZPCHGGPSA-N 411.531 3.516 0 1 HHAF O=C(c1ccc[n+](Cc2ccccc2F)c1)N1CCN(c2ccccc2Cl)CC1 103273924 XKIPPZPXDWGESV-UHFFFAOYSA-N 410.900 3.777 0 1 HHAF CCOc1cc([C@@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)ccc1OCc1ccccc1 103541582 CZVFYDAQVRDZNW-YDJIHCHBSA-N 421.457 3.762 0 1 HHAF COC(=O)C(C)(C)Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 142410773 ODNOBAVDQFMWME-UHFFFAOYSA-N 424.432 3.537 0 1 HHAF CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cn21 169331601 TZKTZPSJUMHYLW-HNNXBMFYSA-N 423.435 3.891 0 1 HHAF Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220220698 PXGREUPWZAUELV-IBGZPJMESA-N 408.889 3.937 0 1 HHAF O=[S@@](Cc1nc2c(S)nc(S)nc2[nH]1)C(c1ccccc1)c1ccccc1 586959165 JACJAANHCFLDDY-MHZLTWQESA-N 412.565 3.969 0 1 HHAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(N)c(N)cc4[nH]3)cc2)cc1F 587147265 JIEBDKVDAVZFMI-UHFFFAOYSA-N 403.461 3.874 0 1 HHAF COc1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1Cl 587201937 DHJFMOJBKGUWFM-HNNXBMFYSA-N 403.822 3.667 0 1 HHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCCC1 587395157 KPWNGSQCPRCPMA-NRFANRHFSA-N 424.497 3.684 0 1 HHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1O[C@@H](C)C(=O)O)CC2=O 587481703 HECMSIAGCYSNOA-BUXKBTBVSA-N 400.427 3.912 0 1 HHAF O=C([C@H]1Cc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657121 VYOYPOWVZZVDSA-HXUWFJFHSA-N 404.372 3.986 0 1 HHAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccccn3)c(=O)c3ccccc23)c(O)c1 587665491 RDNJUTYDHUDHQD-UHFFFAOYSA-N 414.465 3.699 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccoc1CC[C@H]2CC(=O)O 587831607 ICBURTJPOPZNKO-FKWBGFQESA-N 408.267 3.996 0 1 HHAF CCC[C@@H](C(=O)OCC)[C@@]1(C(=O)OCC)c2cc(OC)ccc2CCN1C(C)C 962092073 OXEFMPZKUAVCKZ-CVDCTZTESA-N 405.535 3.700 0 1 HHAF COc1cc2c(cc1OC)[C@@](C)(c1nccs1)N(C(=O)c1ccccc1N)CC2 963148016 YNMWKHCTVNVHSC-QFIPXVFZSA-N 409.511 3.705 0 1 HHAF O=C(NC[C@@H]1CCN1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772616541 RJFOLQADGCDQQM-AWEZNQCLSA-N 402.376 3.533 0 1 HHAF CN(C(=O)c1nsc2cc(N=c3[nH][nH]c4cccnc34)ccc12)C1CC(F)(F)C1 1857589341 YFQMDJXCLJRRLV-UHFFFAOYSA-N 414.441 3.603 0 1 HHAF COc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1 1857766466 OCDGBDZHGDKNCY-UHFFFAOYSA-N 400.364 3.806 0 1 HHAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(CC3CCCCC3)CC2)cs1 2356290276 NSLLVUGLGZGWQC-IBGZPJMESA-N 407.624 3.618 0 1 HHAF CC(=O)OC[C@]1(CO)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]12 2356435502 DVILVCNQCLDLLF-YEMIJQDDSA-N 418.530 3.855 0 1 HHAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@@H]12 2356622250 BUXFGRWORDRRTK-VJTWRNMGSA-N 412.482 3.581 0 1 HHAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 61906209 NBHAUQWWONBQMH-OAQYLSRUSA-N 408.404 3.849 0 3 HHAF Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 61923034 ORDMBNHJHVBOOO-DNVJHFABSA-N 408.546 3.920 0 3 HHAF O=C(NCCc1c[nH]c2ccccc12)OCc1cn(Cc2cccc(F)c2F)nn1 203462958 YFZKSXKJCRNBTR-UHFFFAOYSA-N 411.412 3.555 0 3 HHAF CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 1551827 AMJHXTWLUCVTRC-GOSISDBHSA-N 403.486 3.620 0 1 HHAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1 4104581 RQEQFFTZDNRFTL-VWNXMTODSA-N 421.541 3.779 0 1 HHAF CN(C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1 13537965 RGIIRDQMJISXTQ-GOSISDBHSA-N 413.909 3.919 0 1 HHAF Cc1oc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc1C[S@@](=O)c1ccccc1 20560163 QUCFDXLQQVAJHQ-QTEAWJPNSA-N 424.522 3.867 0 1 HHAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820767 RTDKESWUGVPWNC-NWZYANAMSA-N 406.563 3.657 0 1 HHAF COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@H](C2)[C@@H]1C 40506065 JQUUFPFKWHAGAH-HMFCALDFSA-N 400.471 3.812 0 1 HHAF Cc1nc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc2c(=O)[nH]1 72124873 VHAKYDKKFHVGOY-UHFFFAOYSA-N 410.421 3.755 0 1 HHAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCc3cccs3)c2cc1OC 82119701 ZBSBYKYQRUNCKV-AWEZNQCLSA-N 414.531 3.529 0 1 HHAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCCN1CCCC1=O 82179373 ZMPVEXKGUPWXNA-UHFFFAOYSA-N 406.534 3.712 0 1 HHAF O=C1[C@H]2CN(c3ccccc3O)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 96169525 UTIMXNSQVSYIOG-PBHICJAKSA-N 406.404 3.823 0 1 HHAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 96172299 SLCOARRYANGTBO-RTWAWAEBSA-N 417.475 3.592 0 1 HHAF Cc1nc2c(C(=O)O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl 96284525 VMBGHFGTMKFCNI-UHFFFAOYSA-N 421.284 3.630 0 1 HHAF CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2cccc(F)c21 96284779 JFEOOCHKSAOHLZ-SILNSSARSA-N 424.520 3.733 0 1 HHAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc3[nH]cnc3c2C1 96923980 YODDKDGEPXFIPC-HSZRJFAPSA-N 417.601 3.954 0 1 HHAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C[S@](=O)CCOC(=O)c2ccccc2)C1 101022228 ZLQIMBGPLMNTJT-AXTPWFNZSA-N 419.974 3.981 0 1 HHAF CC(=O)Nc1cc(NC2(C(=O)Nc3nc4ccc5[nH]ncc5c4s3)CC2)ccc1F 115721981 YBLPMNNVXVEMKC-UHFFFAOYSA-N 424.461 3.853 0 1 HHAF N[C@@H]1C[C@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cccc3F)n2)CC[C@@H]1O 139632576 YPBQMBWCMCXUQK-PJUBBZNESA-N 424.451 3.630 0 1 HHAF CN1CCN(c2cc(Cl)c3nc(Nc4ccc(Br)cn4)[nH]c3c2)CC1 299832068 RFGXEYDQPWXCCL-UHFFFAOYSA-N 421.730 3.869 0 1 HHAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586911240 QWCPQTUFBVYESX-AWEZNQCLSA-N 419.890 3.826 0 1 HHAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C)c(F)cc4[nH]3)c2)o1 586923548 PLWOWNPLHWBNJD-UHFFFAOYSA-N 400.435 3.597 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@@H]2CCCC[C@H]21 586961624 SIGTTYCKSPEPTO-CFVMTHIKSA-N 417.922 3.701 0 1 HHAF O=C1C[C@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)c2c(Br)cccc2O1 587002934 ICAADUUHLOTREZ-JTQLQIEISA-N 415.243 3.732 0 1 HHAF CCS(=O)(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003295 JZHOLFWHKOMZID-UHFFFAOYSA-N 405.277 3.662 0 1 HHAF O=C(O)c1cc(F)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587119534 XRWCSYOBOAQQNQ-UHFFFAOYSA-N 421.148 3.621 0 1 HHAF N=c1[nH]c2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc-2c(Cl)[nH]1 587138968 YCORIIAUDZELKC-UHFFFAOYSA-N 401.760 3.681 0 1 HHAF COc1cc(-c2nc3cccc(C(N)=O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144422 WURYONLPHWFUQK-UHFFFAOYSA-N 405.385 3.842 0 1 HHAF CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593447 DJQAIXWSLRUUDZ-QPPBQGQZSA-N 420.417 3.908 0 1 HHAF C[C@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597059 UIPSYFVNXYCGLT-RCZVLFRGSA-N 416.477 3.679 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)c1ccccc12 587614886 VPNBBESPPXWOQG-NZQKXSOJSA-N 422.458 3.817 0 1 HHAF COC(=O)CC[C@@]1(c2ccccc2N)N[C@H](C)Cc2cc(Br)c(F)cc21 587750995 VVIYMPPHCHHVJS-ODXCJYRJSA-N 421.310 3.901 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587772114 VCNGOCDESGSKBC-YBTHPKLGSA-N 417.278 3.784 0 1 HHAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O 587792899 LUPYRBYQVVYBMQ-APBUJDDRSA-N 424.266 3.684 0 1 HHAF CCO/C=C(\C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798073 NSMHJOMNUXGLGV-KMHRDMROSA-N 400.288 3.821 0 1 HHAF COc1ccc2c(c1OC)[C@@](C)(CCc1ccc(OCC(=O)O)cc1)N(C)[C@@H](C)C2 962636190 YNSRHJVBTFGOAN-UPCLLVRISA-N 413.514 3.892 0 1 HHAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H]2CCCOC2)N1C(=O)c1ccccc1 963449794 STEPCMOIAZIEFG-BUKVSMQUSA-N 404.466 3.787 0 1 HHAF CO[C@H]1C[C@@H](c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1 1772588398 MKRHTMICEQFIHC-IYBDPMFKSA-N 403.442 3.837 0 1 HHAF CCCS(=O)(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12 1857604535 WUHVXLLWWJRINO-UHFFFAOYSA-N 414.350 3.655 0 1 HHAF CO[C@@H]1CC[C@H](C)C=CCCC(C)=CC(=O)O[C@H](CC(=O)[C@H]2CSC(=O)N2)C1 2356617829 SMSHEBYPBWDJEV-NRSFXHEJSA-N 409.548 3.800 0 1 HHAF COC(=O)C=C(C)CCC=C[C@H](C)CC[C@@H]1CCC[C@@](O)([C@@H]2CSC(=O)N2)O1 2356690492 ZDGSZBCCKDDREV-DBSRCYSRSA-N 411.564 3.941 0 1 HHAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)([C@H](O)[C@@H]4[C@@H]4O[C@@H](C)[C@@H](C)O4)[C@]3(C)CC[C@]2(C)CC1 2356702390 AKDMKHJGBWDSQM-QKDJBNSESA-N 406.563 3.774 0 1 HHAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3COC(=O)[C@@H]3C[C@H](OC(C)=O)[C@@H]21 2356791633 IULFWSJYZWKMIN-ADOUIYEBSA-N 420.546 3.903 0 1 HHAF CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cc1 1494209 QYZRHDNGOVTVDB-UHFFFAOYSA-N 404.426 3.568 0 1 HHAF biogenic C[C@@H]1CCCN(C(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)ccc2Cl)C1 4660003 WUJXSZZAPFRHRY-GOSIZQOLSA-N 400.906 3.748 0 1 HHAF CCc1nn([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc3occc3n12 5149700 FEPPZNNNSHTLLB-JKSUJKDBSA-N 406.486 3.503 0 1 HHAF OC[C@@H](CCc1ccccc1I)C1=CCC2(CC1)OCCO2 6567873 ZZWADSABOYPTSV-MRXNPFEDSA-N 414.283 3.686 0 1 HHAF COc1ccc(CCN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 26963216 SFCMDWATPKCGRS-UHFFFAOYSA-N 422.506 3.645 0 1 HHAF O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 95873262 MJXRCPXBIJRDBA-UBFVSLLYSA-N 419.569 3.690 0 1 HHAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCOc2cc(F)cc(Cl)c2)c1 95921093 AXHBVFDWXKWFTE-QRWLVFNGSA-N 407.917 3.771 0 1 HHAF in-vitro COC(=O)Nc1nc2cc(OS(=O)(=O)c3c(Cl)cccc3Cl)ccc2[nH]1 114061059 RHTMVMVHTOFWNI-UHFFFAOYSA-N 416.242 3.816 0 1 HHAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@@H]3C2)n1 116821580 GDYPZYXSMGJUAS-RTBURBONSA-N 402.473 3.800 0 1 HHAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3cccc(OCC4CCNCC4)c3)oc2c1 145766991 XFSARQRQDASLQS-OAHLLOKOSA-N 418.497 3.733 0 1 HHAF CCCCCCC(=O)OCC(=O)NC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 169370472 YTRZQPXCORQEIS-XQSIDRLNSA-N 423.550 3.611 0 1 HHAF Clc1ncc(I)c2nc(Cc3csc4nccn34)[nH]c12 587039322 CSMYEVMSTYIJPT-UHFFFAOYSA-N 415.647 3.516 0 1 HHAF Cc1cc(Br)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F 587137945 TWKWXQTYLKNVBT-UHFFFAOYSA-N 412.284 3.690 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(CC(=O)O)ccc21 587410140 YLEQXYYWNAEWER-RUZDIDTESA-N 413.429 3.658 0 1 HHAF COC(=O)c1cc(Br)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587454478 ZSTWNSSUTKOSTF-RFAUZJTJSA-N 409.257 3.795 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 587769013 LXNBTVPJBMDKLM-YUNKPMOVSA-N 417.278 3.784 0 1 HHAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834370 QZROWUQGPZAITI-CFZJUORYSA-N 414.315 3.840 0 1 HHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2onc(C)c12 587868231 XWIHNDUXIZDBCC-UHFFFAOYSA-N 417.347 3.814 0 1 HHAF CC(=O)[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962661930 IMFVQCIECPBHNP-XZOQPEGZSA-N 408.885 3.819 0 1 HHAF CCOc1ccccc1[C@]1(CCCCC(=O)O)c2ccsc2CCN1C(N)=O 962718117 YLAMJDOCBWRIJH-OAQYLSRUSA-N 402.516 3.972 0 1 HHAF COc1ccc([C@@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963137751 GFGOJOQGXYEYOQ-YWZLYKJASA-N 404.488 3.662 0 1 HHAF O=c1nc(N2CCOCC2)oc2c(-c3ccsc3)c(OCc3ccncc3)ccc12 1772584485 PUUDNMTZJYICPU-UHFFFAOYSA-N 421.478 3.727 0 1 HHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](OC(C)=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC 2356495646 ZGDWNZMBIMUYME-LILSUDLASA-N 410.551 3.702 0 1 HHAF CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 756201 DXRQJCSUJVNSGX-LJQANCHMSA-N 411.571 3.997 0 1 HHAF CC(=O)Nc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O 3814221 IYQDVAQDSMLFBE-UHFFFAOYSA-N 405.498 3.543 0 1 HHAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN(CC)CC)c1 4049434 KDJZDXVZUFQENK-FYYLOGMGSA-N 409.530 3.635 0 1 HHAF COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N(C)C)nc32)cc1 4238901 RXRNPPONSDQSFF-UHFFFAOYSA-N 407.861 3.571 0 1 HHAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(Br)cc4)cnc3c12 13676090 LDFBJCFKLBQRJB-UHFFFAOYSA-N 401.289 3.824 0 1 HHAF O=C(O)Cc1nn(Cc2nc3c(Cl)cc(Cl)cc3s2)c(=O)c2ccccc12 13860771 DQMPMMARWRKXFV-UHFFFAOYSA-N 420.277 3.988 0 1 HHAF COC(=O)[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O 13912006 NNIZTTLESROFOP-IBGZPJMESA-N 409.438 3.688 0 1 HHAF COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C/C=C/CCCC(=O)O)c1 26160342 IGRHMJRVBYYCFZ-NGTZFMKBSA-N 420.521 3.829 0 1 HHAF COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccco2)n(C)n1 39560670 PMGFMLMVTPVNQX-UEXGIBASSA-N 406.530 3.656 0 1 HHAF biogenic COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)CO)c1 40933766 QTZXGNPKDGLIOA-CQSZACIVSA-N 416.522 3.912 0 1 HHAF O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2cccc(F)c2c1 66252779 AQGSJPJSRCAJNS-UHFFFAOYSA-N 405.433 3.506 0 1 HHAF Nc1ncc(I)c(-c2c[nH]c3cccc(Br)c23)n1 72110262 XFRIJNLVUBEUHF-UHFFFAOYSA-N 415.032 3.574 0 1 HHAF O=C(NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1)c1ccccc1 72185864 RWTLMSVCKSEIFJ-QFIPXVFZSA-N 408.452 3.739 0 1 HHAF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085601 NXCXNDUMXKIKKD-SFHVURJKSA-N 417.531 3.851 0 1 HHAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Cl)c(Cl)c1Cl 114604175 NYNVAMFIDIXLKA-UHFFFAOYSA-N 404.666 3.628 0 1 HHAF CN(c1ncc(Cl)cn1)[C@H]1CCc2c(c3cc(Cl)ccc3n2CC(=O)O)C1 118876412 WZERTKXFBFKNHH-ZDUSSCGKSA-N 405.285 3.816 0 1 HHAF COc1cccc(C(=O)C(CSC(=S)N(C)C)CSC(=S)N(C)C)c1 207734766 RLBPNGVQCCSVPM-UHFFFAOYSA-N 416.659 3.654 0 1 HHAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253995082 DLYVTEULDNMQAR-JYBVBRJISA-N 422.606 3.537 0 1 HHAF Clc1ccc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(Br)c1 586976109 KWGWMDRBUISKHZ-UHFFFAOYSA-N 405.643 3.534 0 1 HHAF CN1CCN(c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)CC1 587108887 HTXLNPUUTNHHJX-UHFFFAOYSA-N 404.392 3.699 0 1 HHAF O=C(O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355555 VICUHGCBKZXZSG-URXFXBBRSA-N 420.392 3.830 0 1 HHAF CCOC(=O)C[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361517 ZCDDFFKLULEZLV-YCASGBEESA-N 414.429 3.619 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)O2 587395838 OQZZVONLDMARIO-ZAVKOYKVSA-N 401.507 3.715 0 1 HHAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cccc(Cl)c1 587650087 WCGPQEZMZIKDHJ-UHFFFAOYSA-N 405.859 3.633 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 587736623 SPBUHNVGDMEWPF-YPMLDQLKSA-N 405.246 3.672 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C2CCOCC2)N1 587755114 OESPBSBMEDQMLF-HXPMCKFVSA-N 408.315 3.526 0 1 HHAF CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)nc2O)c1)C1CCOCC1 653690016 ZNCHIAMSDOVIFZ-UHFFFAOYSA-N 417.937 3.993 0 1 HHAF COCCOc1ccc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962731255 QVYQMEBGVNGSGO-UTKZUKDTSA-N 423.431 3.630 0 1 HHAF CN(C)C(=O)c1ccc2c(c1)[C@H](C1CC3(CCN(C(=O)OC(C)(C)C)C3)C1)NCC2 962928276 XEJQEYHNSXNOTF-WLBKGHODSA-N 413.562 3.612 0 1 HHAF COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc2cccnc2c1 1857549039 YMLDFYDEWIBRLP-UHFFFAOYSA-N 419.506 3.812 0 1 HHAF COc1ccc([C@@H]2N(c3cc(Cl)ccc3OC)C(=O)[C@@H]3CCCN32)cc1OC 250389192 BDOYTMGEJAWMSG-YWZLYKJASA-N 402.878 3.876 0 3 HHAF CCc1nn([C@H](CC)C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc3occc3n12 8965082 UZBYTGUAEXITIJ-OAHLLOKOSA-N 412.877 3.726 0 1 HHAF COc1ccc(CCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OC 13732220 QCYXAWAWQQGZIC-UHFFFAOYSA-N 418.445 3.993 0 1 HHAF CC1(C)CCC[C@]2(C)[C@H]3Cc4oc(CN5CCCC5)cc4[C@H]4C(=O)O[C@@H]([C@H](O)[C@@H]12)[C@@H]43 64549457 AJTHWMDHIPUTJG-DGQPMYFRSA-N 413.558 3.880 0 1 HHAF COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2c(O)cccc32)cc(OC)c1OC 71295465 IUPQLOOYBOVTLV-FQEVSTJZSA-N 419.433 3.940 0 1 HHAF O=S(=O)(Cc1ccccc1)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72102839 YYOSNTMKRHKCIS-SFHVURJKSA-N 407.417 3.704 0 1 HHAF [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@@H]5CCNCC[C@H]5F)c4n3)n2c1 96175089 GFVZLOMZOSEUPY-SJLPKXTDSA-N 402.433 3.964 0 1 HHAF O=S(=O)(c1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100101624 INTPNRISSSHJJF-NUNAXRQHSA-N 408.498 3.621 0 1 HHAF COc1nc(N)c(Cl)cc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100909824 FUOUCUSWOTUMGM-IAGOWNOFSA-N 414.937 3.641 0 1 HHAF CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(C)cc23)[C@H]1c1ccc(Cl)cc1 103202816 FCONSLXDDVQPLR-MRXNPFEDSA-N 410.857 3.748 0 1 HHAF CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCC2)CC1 149324632 SDYPFDSXSXPQDM-UHFFFAOYSA-N 421.925 3.576 0 1 HHAF O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166373377 DZEPRIGNSKUUGH-GOTSBHOMSA-N 413.477 3.622 0 1 HHAF Cc1nn(Cc2ccc(NC(=O)/C=C/c3ccccc3)cc2F)c(C)c1CC(=O)O 168929274 PYPPBQDAASRFLW-DHZHZOJOSA-N 407.445 3.966 0 1 HHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OC1CC1)[C@@H](c1ccc(I)cc1)C2 169372555 XVJBDXSALDAGPI-DZUCGIPZSA-N 411.283 3.563 0 1 HHAF CC(C)OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707224 SEARFZADYOMAQA-LJQANCHMSA-N 418.497 3.539 0 1 HHAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc(C4CC4)on3)c2)c2cncnc21 169708013 VVBNWOCTEHAKPZ-UHFFFAOYSA-N 416.441 3.756 0 1 HHAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](OC)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713454 ZMAIFLOHRXCDQS-DXQCUJECSA-N 418.622 3.959 0 1 HHAF N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)cnc3Cl)ccn2)CC1 261080501 BQMJVUJVARCOJD-QAQDUYKDSA-N 416.957 3.712 0 1 HHAF Nc1cccc(CN2C(=O)N[C@H](Cc3ccccc3)[C@@H](O)[C@H]2CCc2ccccc2)c1 299847301 BYSNQIHTZQPUDU-UBFVSLLYSA-N 415.537 3.768 0 1 HHAF CCOC(=O)C[C@@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989784 QRWSROXJHPVULZ-MRXNPFEDSA-N 419.433 3.752 0 1 HHAF Brc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc2c1OCCO2 587000057 FCNJNVXQHIUXAL-OWOJBTEDSA-N 401.216 3.996 0 1 HHAF N=C(N)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028397 XPTALKYIOYYKSC-CCKFTAQKSA-N 407.543 3.983 0 1 HHAF CC1=C(c2ccc3nc(-c4cc(OC(C)(C)C)c(F)cc4N)[nH]c3c2)NNC(=O)C1 587136600 SKIXPCQEWXLHEV-UHFFFAOYSA-N 409.465 3.884 0 1 HHAF C[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 587154029 BQWSEHIRDVKIMR-GOSISDBHSA-N 418.222 3.954 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(OC)c(F)c1)CC2=O 587465856 HYTJTDFZAMWNKW-QFIPXVFZSA-N 402.418 3.916 0 1 HHAF COC(=O)[C@@]1(O)Cc2cc(Cl)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587500629 MOPCWUFPANPPKK-XZOQPEGZSA-N 412.869 3.540 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H](N)C(=O)O)(c2ccccc2)N1 587751176 WSDJQHQMRUOASY-OACQNMCBSA-N 421.310 3.558 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 587839554 HPKSOWDXPNDKMF-DYZYQPBXSA-N 413.312 3.583 0 1 HHAF CCN(c1ccc(-c2csc(-c3ccc(C(=O)O)cc3)n2)cc1)S(C)(=O)=O 587923574 XNYVQFVCGPALGX-UHFFFAOYSA-N 402.497 3.961 0 1 HHAF COc1ccccc1[C@@]1(c2nnc(C)o2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962572751 QGWQSYWCBGSQSD-PSLXWICFSA-N 409.486 3.572 0 1 HHAF COC(=O)CN1C=C[C@]2(c3ccccc31)c1cccc(F)c1CCN2[C@@H]1CCSC1 962698025 CNCODFYJCCYEGA-MZNJEOGPSA-N 424.541 3.940 0 1 HHAF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)[C@H](C)N(Cc2ccccc2)C[C@H](C)[C@H]1C 963469873 LDFDCABRQWUMNP-NWQVXWTMSA-N 408.542 3.671 0 1 HHAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(CC(=O)Nc3ccccc3)CC1)C2 1772619461 LHUIWFPSZAISKM-IBGZPJMESA-N 422.525 3.800 0 1 HHAF NC(=O)c1cccnc1OC1CC2(CC(N=c3[nH]c4c(Cl)cccc4s3)C2)C1 1857600025 WZBIYYCXPZEJQX-UHFFFAOYSA-N 414.918 3.668 0 1 HHAF Cc1[nH]nc(C2CC2)c1-c1ccc2c(-c3ccc(N4CCN(C)CC4)nc3)n[nH]c2c1 1857637194 NXHNLSWERKMWLN-UHFFFAOYSA-N 413.529 3.953 0 1 HHAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC=C[C@](C)(O)CC[C@H](O)C(C)(C)O 2356305868 NZEJTWMPBBOFLP-URXFXBBRSA-N 416.514 3.727 0 1 HHAF COc1cc(C[C@H](C)[C@@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)cc(O)c1OC 2356380868 SYAQUKRBBRLVBT-RDXCRGQUSA-N 406.475 3.681 0 1 HHAF CC(C)=C[C@@H]1O[C@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H](C)[C@]12O 2356401854 QRUZTMJNZQJLOO-VVIOLXLASA-N 416.558 3.990 0 1 HHAF COc1c(C)c(C=CC=CC=CC(C)=C[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C 2356580523 WQOZGNFAVRFSGE-LKDDOFHYSA-N 416.514 3.626 0 1 HHAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356768185 NEDXVWRLYNVKRG-QZNHQXDQSA-N 420.557 3.768 0 1 HHAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4053225 PVCDJTCVRRXCAW-MQSCRBSSSA-N 419.525 3.687 0 1 HHAF CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(C)c21 6916410 RSICLZGEZHWOET-UHFFFAOYSA-N 406.408 3.572 0 1 HHAF COc1ccccc1[C@@H]1CN(CCNC(=O)c2cscn2)Cc2ccccc2O1 11815767 VIKXHOAKBXELFO-NRFANRHFSA-N 409.511 3.517 0 1 HHAF CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1 13444700 ZRYOOEBGABRJDU-UHFFFAOYSA-N 410.514 3.655 0 1 HHAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC(=O)[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)cc1OC 15052246 FYNQDKIYMHHBRL-BKXMBWNOSA-N 416.514 3.952 0 1 HHAF biogenic N#Cc1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccco3)c2=O)c1 25236430 QFJXMPYVTRGJGG-SJORKVTESA-N 400.438 3.631 0 1 HHAF biogenic CCCCn1nc2n(c1=O)[C@H](c1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CCC2 26576491 CAYZWFPFTMLBBH-FQEVSTJZSA-N 415.501 3.618 0 1 HHAF CC(=O)c1ccccc1OCCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 49808112 RZQPXRJVWMQRCR-UHFFFAOYSA-N 400.906 3.770 0 1 HHAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 82177665 ZDPIBHWJOBWCBN-NQIIRXRSSA-N 414.521 3.761 0 1 HHAF Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(C4CC4)ccc32)ccn1 84616157 QYFLLDUMEIRXQV-UHFFFAOYSA-N 400.438 3.598 0 1 HHAF Cc1ccccc1CN1CCC(N2CC[C@@H](n3c(=O)[nH]c4ccccc43)[C@H](F)C2)CC1 95597815 UVNVDXZOLDWJKU-FYYLOGMGSA-N 422.548 3.888 0 1 HHAF COc1ccc(C2=C[C@H](c3ccc(F)c(Br)c3)n3nnnc3N2)cc1 102798549 HTKXCFPGQPOFMK-MRXNPFEDSA-N 402.227 3.639 0 1 HHAF O=C(Nc1cnccn1)Nc1cccc2c1[C@@H]1CC3(CCN1C2=O)SCCS3 118084471 AKKQLMPWVUMKJQ-AWEZNQCLSA-N 413.528 3.588 0 1 HHAF c1cc(CCNCCCN2CCCCC2)ccc1CCNCCCN1CCCCC1 143751101 FQDUAYGPFNUCPZ-UHFFFAOYSA-N 414.682 3.703 0 1 HHAF O=C(Nc1ccc(OC2CCN(C[C@@H]3CCOC3)CC2)cc1)N1Cc2ccncc2C1 165936337 VLGTWNNWGFUHKL-SFHVURJKSA-N 422.529 3.509 0 1 HHAF O=C(Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1)c1coc2c1C(=O)CCC2 166204627 CGMJNJOLARGSTI-UHFFFAOYSA-N 416.437 3.994 0 1 HHAF C/C=C/c1cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc2c(NCC(C)(C)O)n1 169180448 MYQYCYNGRDTCCV-SNAWJCMRSA-N 423.492 3.644 0 1 HHAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc(Cn2ccnc2)c1 169714436 MCEBJZPEYPCIEE-CTNGQTDRSA-N 409.486 3.506 0 1 HHAF CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1ccccc12 197962685 WQFIZWCFRFXCPS-RNQOJCNYSA-N 402.563 3.907 0 1 HHAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3cnccn3)n[nH]c2C1 225971296 KKHBCURVXZFVPV-UHFFFAOYSA-N 407.783 3.737 0 1 HHAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586939841 XRFUWLMTRDZLDT-IRXDYDNUSA-N 421.910 3.616 0 1 HHAF O=S(=O)(c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1)C(F)(F)F 587016882 OYTLFTSOVWRSIW-LBPRGKRZSA-N 403.407 3.831 0 1 HHAF CC1=C(c2ccc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3c2)NNC(=O)C1 587116376 VJRXPGUTERANTE-UHFFFAOYSA-N 424.386 3.947 0 1 HHAF COc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(I)c1 587179811 GOYIWSBVRNTZKV-CQSZACIVSA-N 408.199 3.567 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587232413 WXUPJNBVAIIZNF-UWVGGRQHSA-N 416.266 3.640 0 1 HHAF CCOC(=O)[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(C)=O 587345868 HGQAYZSFXMSKOP-RFWXGWTQSA-N 414.429 3.807 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Br)c1)O2 587375114 CEJGYHMJXQWARX-DYZYQPBXSA-N 420.259 3.898 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)cc1OC)[C@@H](C2)C3=O 587412521 IQGFSSRWHIKQPA-HXPMCKFVSA-N 405.244 3.964 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1c(OC)cncc1C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587433537 SAYVEAINWPQJPS-QMHKHESXSA-N 416.433 3.840 0 1 HHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C 587476553 PWUHAQHFALWJEG-WHEQGISXSA-N 403.475 3.852 0 1 HHAF COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510367 GMQVXKZMXAUVKL-QHCPKHFHSA-N 417.502 3.747 0 1 HHAF CC(C)(C)OC(=O)N1C[C@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587516890 GBBIEZJYZKITLV-HXOBKFHXSA-N 415.486 3.754 0 1 HHAF CCOC(=O)C[C@@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC 587524403 NWQCCFPDHQSWPZ-HJPURHCSSA-N 402.487 3.812 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Cl)nn1)CC2 587551729 JBHPDTKKJCUXJK-IBGZPJMESA-N 423.856 3.836 0 1 HHAF CS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559634 YGFACQCLGFNGSM-RXVVDRJESA-N 414.410 3.638 0 1 HHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccco1)CC2 587582916 PEZLHYMKNISQRJ-IBGZPJMESA-N 405.406 3.622 0 1 HHAF COc1ccccc1OCc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)o1 587652388 QPOSWTCLCRROEP-UHFFFAOYSA-N 410.813 3.919 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587720843 OBZBANBXOPGKPT-XYZCENFISA-N 416.241 3.589 0 1 HHAF CCC1=C(C)N[C@@H]2N(CCC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1=O 587791645 MHJOUUXJKFIYHM-LDZBWSAGSA-N 422.342 3.553 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2COC(=O)C2)N1 587836339 SURLHUAELVYEAL-ASNKJTAVSA-N 404.279 3.929 0 1 HHAF O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@H]1c1cc2ccccc2oc1=O 653735559 NEJMVKXBNSIJTA-QFIPXVFZSA-N 415.493 3.957 0 1 HHAF Cn1cc([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(-c2ccccc2)n1 962637659 OUDDNNGVCYVFFL-BEFAXECRSA-N 417.387 3.674 0 1 HHAF Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3)c(C(=O)NC3CCCC3)n2c1 1857579396 PCRRELVXIAYXEL-MRXNPFEDSA-N 406.486 3.721 0 1 HHAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCCc1ccc(C(F)(F)F)cc1)C2 1857592500 UAJVTCVZRHYCPX-QGZVFWFLSA-N 422.495 3.703 0 1 HHAF COC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ccccc32)cc1 1857756283 MJDUDNJUTJTKQD-UNMCSNQZSA-N 406.482 3.510 0 1 HHAF CNC(=O)c1cccc(-c2ccc3c(c2)N(C(=O)c2ccco2)C[C@H](C)N3C(C)=O)c1 1857761935 BNLUHUAAWOCZIZ-HNNXBMFYSA-N 417.465 3.708 0 1 HHAF COc1ccc([C@@H]2OC[C@@H]3[C@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc1OC 2356608780 HOCAAINDJYNCFZ-KDIGXEEGSA-N 402.443 3.502 0 1 HHAF Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 20121782 WUZZBYHDTSHXFT-HSZRJFAPSA-N 420.536 3.835 0 3 HHAF O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1 58133894 VSKVKDOTEICFRN-QHCPKHFHSA-N 402.498 3.734 0 3 HHAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccccc3C(=O)OC)cccn12 61928602 MZTNLQCYGAVTIA-UHFFFAOYSA-N 411.458 3.855 0 3 HHAF CCOc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1 104045612 FWQZYJOIHFWTBD-JXFKEZNVSA-N 415.559 3.850 0 3 HHAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)N(CCN3CCCC3)C(=O)C[C@H]12 5848658 COJVDKKMDHCBJS-OUMCCJGNSA-N 410.558 3.612 0 1 HHAF C=CCCCCC[C@H](OC(C)=O)[C@@H](CC#CC#C[C@H](C=C)OC(C)=O)OC(C)=O 13903642 DJKKKMDXVJHGSD-RJGXRXQPSA-N 402.487 3.501 0 1 HHAF biogenic COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H](COC)Cc1ccc2c(c1)OCO2 14437705 XNNGPIAYZKIQAH-RTBURBONSA-N 402.487 3.743 0 1 HHAF biogenic,in-vitro Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC(C)C)CC(=O)N23)c1 26772275 RVPZZDOGDODYQE-QPPBQGQZSA-N 401.510 3.817 0 1 HHAF biogenic O=S1(=O)N=C(Nc2cc(F)ccc2Br)Nc2c(O)cc(Cl)cc21 28822696 KSBSGEOBNFESAI-UHFFFAOYSA-N 420.647 3.530 0 1 HHAF O=S(=O)(c1ccc(Cl)cc1)[C@@]12CC[C@@H](O)C[C@@H]1COc1c(F)ccc(F)c12 49067570 WTXUIYHQKGABGR-MVBJNABHSA-N 414.857 3.841 0 1 HHAF COC(=O)c1ccc(CN2C(=O)[C@@]3(OCCC=C[C@H]3C)c3cc(OC)ccc32)cc1 66123633 QTMVZSYYVSLFPK-GYCJOSAFSA-N 407.466 3.837 0 1 HHAF COc1cc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@H](C)O)cc(OC)c1OC 71319234 ONGNWTVGGRQPGB-MJOIQJIUSA-N 404.459 3.660 0 1 HHAF COCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc(C)c1 82147361 OUIHDLIHLBNPQQ-UHFFFAOYSA-N 408.477 3.622 0 1 HHAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCc3ccc(C)cc3)ncnc21 82179240 LAKCUBUQADTMNF-UHFFFAOYSA-N 406.534 3.931 0 1 HHAF CCOc1ccc(CCNc2nc(N3CCC(N4CCCC4)CC3)ncc2C)cc1 82204092 XZSYHNOQWMFDEM-UHFFFAOYSA-N 409.578 3.903 0 1 HHAF CCS(=O)(=O)c1ccc2[nH]c(N3CCO[C@H](c4ccc(Cl)cc4)C3)nc2c1 95574385 RSRJKYSNIMINDZ-SFHVURJKSA-N 405.907 3.588 0 1 HHAF OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 95875540 ZLAMFFFFACPEQP-ZNZIZOMTSA-N 414.553 3.568 0 1 HHAF Cc1cc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc2[nH]1 147026681 SCZRBEFQLYWCRB-MAUKXSAKSA-N 403.490 3.533 0 1 HHAF NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1 150042419 UGJQIWTWUCHEQM-UHFFFAOYSA-N 406.440 3.893 0 1 HHAF O=C(Nc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1)N1Cc2ccccc2C1 166501756 YDJGTAMNLLLAHK-UHFFFAOYSA-N 415.493 3.869 0 1 HHAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(F)cn1 210596923 KZTVUKGADAIUIX-UHFFFAOYSA-N 424.520 3.744 0 1 HHAF C[C@@H]1CN(C[C@@H](C)NC(=O)CCc2ccc(O)cc2)CC[C@]1(C)c1cccc(O)c1 253684213 KOYJFOQYVCNACC-RRQZXNHTSA-N 410.558 3.835 0 1 HHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)OC1CC1)[C@H](c1ccc(I)cc1)C2 253794794 XVJBDXSALDAGPI-QSPRXWTASA-N 411.283 3.563 0 1 HHAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)cc(C)c2[nH]1 586965429 WJRAIGVPTOVJPG-UHFFFAOYSA-N 401.927 3.982 0 1 HHAF O=c1cccc(-c2nc3ncnc(Cl)c3[nH]2)n1CCOc1ccccc1Cl 587063835 AFVJDZIKFKPOMB-UHFFFAOYSA-N 402.241 3.567 0 1 HHAF COC(=O)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cn1 587182005 BJKIEJHWASUGKJ-UHFFFAOYSA-N 413.602 3.670 0 1 HHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccnc(Br)c3[nH]2)cc1 587244893 OLCJKXAAENMXPD-UHFFFAOYSA-N 412.247 3.860 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)O2 587399245 HRYUMGVFGQZLPY-DEOSSOPVSA-N 403.434 3.950 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)cc1CC(=O)O)CC2=O 587475597 AYSWZONLKNKZEJ-QHCPKHFHSA-N 414.454 3.870 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 587744256 GPWMSLBFMZMIDB-OVWNDWIMSA-N 405.315 3.711 0 1 HHAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)nc12 653720599 XHDDGEHNYUZKBB-UHFFFAOYSA-N 407.518 3.811 0 1 HHAF CC(=O)c1ccc2c(c1)[C@H](c1csc(C)n1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626294 JFEYCBIAZJQJPG-ZWKOTPCHSA-N 416.499 3.990 0 1 HHAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cnc(O)c3ccccc23)N1 962647101 XTZJFERKLQEILA-IRXDYDNUSA-N 404.344 3.527 0 1 HHAF O=C1c2ccccc2[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@H]1c1ccncc1 962731487 SOAAPBRKKQNHDE-QTEQDKRBSA-N 422.406 3.951 0 1 HHAF CCN1C(=O)[C@H](C(C)=O)[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963120546 JRQUGNYBWSCZPI-PZJWPPBQSA-N 403.309 3.954 0 1 HHAF COc1c(OCC(F)(F)F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 1772593922 SJONJHHHAKBWCV-UHFFFAOYSA-N 412.408 3.760 0 1 HHAF BrC1=CN2NC(c3cc4ccccc4n3Cc3ccccc3)=N[C@H]2N=C1 1857629201 RXESCASGVFVZEM-HXUWFJFHSA-N 406.287 3.861 0 1 HHAF CCOC(=O)N1[C@@H](O)CC(=C2c3ccc(Cl)cc3CCc3cccnc32)C[C@H]1O 1911573971 COBNLIJYZJNVGX-KDURUIRLSA-N 414.889 3.525 0 1 HHAF CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O 2356505511 GZWAPPJQZHYUJY-PBIIQAGSSA-N 418.530 3.823 0 1 HHAF Cn1ccnc1[C@H]1CCCCN1C(=O)c1cc(COc2ccc(F)cc2F)on1 13596861 HAMIFSHPDYZIET-QGZVFWFLSA-N 402.401 3.633 0 3 HHAF COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@@H](CC(=O)OC)[C@@H]21 1858477 BLCGEGXEZPZFNQ-VFNWGFHPSA-N 404.422 3.547 0 1 HHAF COc1cc2[nH]c(-c3ccc(N4CCOCC4)cc3)cc(=O)c2cc1-c1cnco1 12354281 NDVWNTJYCMLEAZ-UHFFFAOYSA-N 403.438 3.695 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccs3)ccc2=O)cc1 25434733 GICQDFZSHLWFHZ-WBVHZDCISA-N 406.507 3.845 0 1 HHAF biogenic CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccco1)CC(=O)C[C@H]2c1c[nH]c2ccccc12 28893255 DWXZCSYIKGHLGD-DLBZAZTESA-N 407.422 3.814 0 1 HHAF CC(C)CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@@]1(CCO)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C 29123078 VHUMUHVWFQCTLB-ATWPWFFJSA-N 416.514 3.877 0 1 HHAF COc1ccc(-c2[nH]c3c(C)cccc3c2C2=C(Br)C(=O)NC2=O)cc1 40403270 REORFUHANDGGIB-UHFFFAOYSA-N 411.255 3.914 0 1 HHAF COc1cc(C2=NN(C(C)=O)[C@H](c3cccc(C(F)(F)F)c3)O2)cc(OC)c1OC 40568395 FMVWOMXLEZTWMA-IBGZPJMESA-N 424.375 3.970 0 1 HHAF COc1nc2ccc(C)cc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 64447977 BVXOCQNNILRUHT-UHFFFAOYSA-N 405.502 3.918 0 1 HHAF O=C(N1CCOCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73257613 YOVASZAVRRWUIX-SFHVURJKSA-N 422.312 3.631 0 1 HHAF CCCCOCCCNC(=O)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(C)C 82069936 NXSMPKDTVYHYQU-LJQANCHMSA-N 417.575 3.888 0 1 HHAF C[C@@H](C(=O)NCCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 82158471 QERPRXOXUGPMNH-OAHLLOKOSA-N 420.550 3.957 0 1 HHAF C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CC3CCCCC3)c(=O)n21 82211071 LOBWXTLMSDWVLA-OAHLLOKOSA-N 408.502 3.935 0 1 HHAF Cc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)nc1 96273540 VZFZFFUOYMTZID-UHFFFAOYSA-N 402.406 3.887 0 1 HHAF O=C1N[C@H](C(=O)O)Cc2cn(c3ccccc23)C/C=C\COc2ccc(Cl)c1c2 169313417 FXUVHANSMHURSV-LLHWWHOWSA-N 410.857 3.669 0 1 HHAF COc1ccc2c(C)c(CCc3nc4cc(C(=O)O)c(F)cc4[nH]3)c(=O)oc2c1C 586917402 BAQQVTWNEOGGLV-UHFFFAOYSA-N 410.401 3.917 0 1 HHAF CC[C@@H](c1nc2cc(OC)c(F)cc2[nH]1)n1cc(I)c(C)n1 587186107 REJVFSFXTXDKGS-ZDUSSCGKSA-N 414.222 3.820 0 1 HHAF CC(C)(C)OC(=O)NC1(c2nc3cc(Br)ncc3[nH]2)CCC(=O)CC1 587236068 XTYNXZUQGCFZKA-UHFFFAOYSA-N 409.284 3.584 0 1 HHAF Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1C 587238637 DYAVGLHVWQVTFS-UHFFFAOYSA-N 411.405 3.654 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)c(Br)n1C)O2 587374885 ZSQIOAJCBOBIDX-JTQLQIEISA-N 415.085 3.542 0 1 HHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)c4cc(C)on4)c1)[C@@H](C2)C3=O 587431432 GEEAWIILWOTCGN-SBUREZEXSA-N 404.422 3.907 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O 587438408 PADCCZSIJFPLNN-QJQUAVMFSA-N 407.466 3.860 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4C(=O)c4c(O)cc(C)cc41)[C@@H](C2)C3=O 587451930 SDUCDKURUHUDSC-LMKMVOKYSA-N 414.413 3.650 0 1 HHAF Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587552147 NVXFSCUQPPUXQP-NHYWBVRUSA-N 404.209 3.774 0 1 HHAF C[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597688 VQGBYJKZUZJHTL-OFNKIYASSA-N 403.390 3.600 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cn2)N1 587682904 MFGYJKRTXJUZSM-CPFSXVBKSA-N 401.077 3.764 0 1 HHAF COC(=O)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 587769355 FWAGKANVBZPIIC-MGPLVRAMSA-N 418.266 3.646 0 1 HHAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccncc3OC(F)(F)F)N12 962667542 NJBDTTQOEAFYFY-FXAWDEMLSA-N 417.387 3.716 0 1 HHAF CC(C)(C)[C@@]1(c2ccc(C3OCCO3)s2)N[C@H](C(=O)O)Cc2cccc(F)c21 962901753 STZHADATHKNAJQ-QKKBWIMNSA-N 405.491 3.821 0 1 HHAF CCN1C(=O)[C@@H](C(C)=O)[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963120547 JRQUGNYBWSCZPI-TZIWHRDSSA-N 403.309 3.954 0 1 HHAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)C1 1772585031 QFSRXFSKJQBPQH-HNNXBMFYSA-N 417.469 3.522 0 1 HHAF CN1CC[C@H](c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)CC1=O 1857556533 IVIKQHWORKDTET-IBGZPJMESA-N 421.497 3.511 0 1 HHAF O=C(Cc1csc(-n2cccc2)n1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 2356763453 JTCLJYMUOBTSMU-YDWJEQILSA-N 422.598 3.898 0 1 HHAF CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1)C1CC1 61958647 NJMBEGWSLRZUGH-INIZCTEOSA-N 401.507 3.507 0 3 HHAF COc1ccc2c(c1)c(CCN(O)C(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1 600206 FQJJNIADGHRNHS-UHFFFAOYSA-N 401.850 3.613 0 1 HHAF OCCCNC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1856517 TYCVHWFTERFAOH-QHCPKHFHSA-N 407.510 3.850 0 1 HHAF COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCCN1C2=O 4563918 BDHSIKYMFCDMOB-FXAWDEMLSA-N 416.424 3.713 0 1 HHAF CCN(CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 4909639 KMEZOVJMUCBDTD-PKTZIBPZSA-N 418.541 3.536 0 1 HHAF CC(=O)SC[C@H](C(=O)N[C@@H](C)C(=O)OCc1ccccc1)[C@@H](C)c1ccccc1 26021051 YRNMSDWCGDCPGU-FIKGOQFSSA-N 413.539 3.934 0 1 HHAF CCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2c1NC(=O)CC2 26827076 UXTJPMNSTVUPBO-UHFFFAOYSA-N 419.569 3.913 0 1 HHAF CCOC(=O)COc1ccc(C(=O)c2ccc3c(c2)CNC(=O)O3)c(Cl)c1Cl 29329264 OYXIJVJDOJLVMI-UHFFFAOYSA-N 424.236 3.768 0 1 HHAF COC[C@H]1Oc2cc3ncnc(Nc4cccc(Cl)c4)c3cc2O[C@@H]1COC 40866784 OGSIXNADGNBMNO-RTBURBONSA-N 401.850 3.828 0 1 HHAF CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccccc2C)n1 82073491 CHZTTZSSGUIYGK-LJQANCHMSA-N 400.475 3.615 0 1 HHAF CC(C)OCCCNC(=O)[C@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82195688 IBLSIJSDPJQJRF-GOSISDBHSA-N 409.502 3.988 0 1 HHAF COc1ccc(Cc2nc(-c3ccc(OCCCCN(C)C)cc3)c[nH]c2=O)cc1 96921944 NIOMDUZAMIGLIR-UHFFFAOYSA-N 407.514 3.757 0 1 HHAF CCNc1nc(OCc2ccccc2/C(=C\OC)C(=O)OC)cc(C(F)(F)F)n1 96923385 QKPAZEBTJUXVHD-SDNWHVSQSA-N 411.380 3.667 0 1 HHAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccc(OCc4ccccc4)cc13)C2 101316624 SXJUZHRNCSMYNX-PMACEKPBSA-N 418.541 3.897 0 1 HHAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1[nH]cnc1Cl 103222090 VPFCSIYUAVQQPU-QGZVFWFLSA-N 415.877 3.604 0 1 HHAF COc1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4cccnc4C3)cc2)cc1 166655964 CKGXZLQVQPQXLU-UHFFFAOYSA-N 402.454 3.568 0 1 HHAF Cc1cccnc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 169708007 RJFKODXEVCEIRR-UHFFFAOYSA-N 400.442 3.594 0 1 HHAF CC(C)(C)NC(=O)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 213417158 SLWFEUITEJIEHH-HKUYNNGSSA-N 404.551 3.546 0 1 HHAF O=C(c1ccccc1)c1ccc2c(c1)nc1s/c(=C\c3ccccc3F)c(=O)n12 473083489 OGCIUHUFHBFTHX-MOSHPQCFSA-N 400.434 3.827 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C(=N)N)cc3[nH]2)c1 587050562 YCWHZOUWSUUDMV-CMDGGOBGSA-N 424.892 3.891 0 1 HHAF CC[C@@H](c1nc2cc(OC)c(C)cc2[nH]1)n1cc(I)c(C)n1 587185787 XPTBWPJJJKKIII-AWEZNQCLSA-N 410.259 3.989 0 1 HHAF COC(=O)c1cc(Cl)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196701 VNMDCBJESXTKFO-ZDUSSCGKSA-N 423.897 3.919 0 1 HHAF CC(C)(C)OC(=O)N(Cc1nc2ccnc(Br)c2[nH]1)C[C@@H]1CCCO1 587196823 XOQNVVZNXOLAMJ-NSHDSACASA-N 411.300 3.637 0 1 HHAF COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587452227 JVLJBSQNGRCYMQ-ZYLNGJIFSA-N 416.429 3.926 0 1 HHAF C[C@@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597057 UIPSYFVNXYCGLT-DHLKQENFSA-N 416.477 3.679 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccn(C)n2)(C(F)F)N1 587723039 UVUFQJRNFQTFEL-XYZCENFISA-N 416.241 3.589 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3ncnc(N)c32)N1 587745506 JSWGBUYQKNVRBF-DGIBIBHMSA-N 405.315 3.711 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 587768593 KYFOZMXRCHHUGK-BIBXISHDSA-N 417.278 3.784 0 1 HHAF CCOc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587789276 BZPIIPFBDZFRBA-OVWNDWIMSA-N 405.267 3.717 0 1 HHAF CCOc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587795073 NGKBWAJKFDMDRK-DGIBIBHMSA-N 405.267 3.717 0 1 HHAF CCOC(=O)C[C@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834542 LFQDHEPNDGTQIA-HXPMCKFVSA-N 414.315 3.698 0 1 HHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(CC(C)C)c(O)n1 587866015 AWDVVHONTLFKJW-UHFFFAOYSA-N 422.407 3.875 0 1 HHAF C[C@@H](O)CNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O 653692166 YUKGUUJEGDEJMF-GFCCVEGCSA-N 409.463 3.569 0 1 HHAF Cc1ccc([C@]2([C@@H]3CCC[C@H]3C(=O)O)NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962928927 UPBMEAIIZSNCEU-RQNQAMLKSA-N 420.553 3.895 0 1 HHAF CCCCCOCCCCCCNC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1857638194 WGOXDNXORZPRRW-QFIPXVFZSA-N 424.536 3.801 0 1 HHAF C[C@]1(O)CCN(Cc2nccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 2356318185 XJQRMHAHQDZZBM-ZJOUEHCJSA-N 413.568 3.701 0 1 HHAF Cc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 1534222 BEXFBMPJEUUUPA-IBGZPJMESA-N 423.513 3.806 0 1 HHAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccccc1NC(C)=O 27866964 JADDNTDGCILSSQ-OAQYLSRUSA-N 409.486 3.908 0 1 HHAF COc1cc2nc(-c3ccc(CP(=O)(OC)OC)cc3)n(C)c(=O)c2cc1OC 29223191 FMYAUZYRPRHFLK-UHFFFAOYSA-N 418.386 3.604 0 1 HHAF CC(C)=CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]2C(C)(C)C1=O)C[C@]4(O)CO 39143894 PFDDHGHYPYBSLT-CPDMMCATSA-N 418.574 3.810 0 1 HHAF COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 40395287 PFIGDGJSZCKKLC-UHFFFAOYSA-N 402.458 3.558 0 1 HHAF COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 58542813 RBQKCFLDNBVADS-WJNKUABFSA-N 417.549 3.992 0 1 HHAF Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)NCc5ccncc5)nc4C)ccc3[nH]2)n1 68208327 ACYHIBQTZOUDDX-UHFFFAOYSA-N 413.441 3.550 0 1 HHAF in-vivo CCN(CCO)C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73292470 UMGUAEJAYOYUOP-SFHVURJKSA-N 424.328 3.613 0 1 HHAF CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCNC(C)=O 82179020 XXSOPOHDPMFUGX-UHFFFAOYSA-N 420.439 3.546 0 1 HHAF CN(C)CCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 103229063 ZKIQHTUACRVBHM-UHFFFAOYSA-N 401.923 3.611 0 1 HHAF Cc1sc(NC(=O)N2CCC[C@@H]2C(=O)O)c(-c2nc(C(F)(F)F)no2)c1C 147024466 ODTDTWKIGRDWNN-MRVPVSSYSA-N 404.370 3.515 0 1 HHAF Cc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c([C@@]2(CF)N=C(N)O[C@@H]3C[C@@H]32)c1 226080345 PSQSRQVCKJEMIX-ZBQZNYHESA-N 423.275 3.847 0 1 HHAF CCn1nc2c(c1C)[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O 261127988 KOSOJYPHXKHVFL-LJQANCHMSA-N 414.868 3.761 0 1 HHAF CCCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 299810272 PKRSCLWRYRXOGB-KJMDDALNSA-N 423.553 3.699 0 1 HHAF CC[C@@H](C)CN1CCN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C1=N 299856165 CFVPGMMRGSUDGB-UEKLYDJUSA-N 404.647 3.790 0 1 HHAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586931933 PWYXRMNHHFOMQM-UHFFFAOYSA-N 417.384 3.550 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCN(c4cccc(Br)c4)C1)[C@@H](C2)C3=O 587416896 HNWYOTUYPOMOOX-OXJNMPFZSA-N 400.272 3.854 0 1 HHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccn1)c1ccccn1 587585607 FDEOIWBRIKZVDW-PXDATVDWSA-N 424.412 3.922 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 587830970 GPJKQJSKYPCOIE-ABCOOTEDSA-N 408.267 3.504 0 1 HHAF O=C(O)c1ccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1O 962950945 FJUSUSOBWNPTFU-SFHVURJKSA-N 407.388 3.850 0 1 HHAF Cc1ccc2c(c1)[C@]1(N[C@H](C(=O)O)Cc3ccc(O)c(C)c31)c1cc(N)ccc1S2 963547438 BMDIIPKFFUKCGL-UUOWRZLLSA-N 418.518 3.947 0 1 HHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(-c2cnn(C)c2)cc2ccccn12 963613269 UVLUYYQHEOVOMZ-IQMFZBJNSA-N 402.498 3.981 0 1 HHAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12N[C@H](C)Cc1c(OC)ccc(OC)c12 963636388 QOZIEAKXXRKRGO-IEFSCDDCSA-N 422.569 3.779 0 1 HHAF O=C1c2c[nH]c3nccc-3c2N([C@H]2CC[C@H](CNCC(F)(F)F)CC2)CN1C1CC1 1772599654 WIWVMGFLHRLXNA-HDJSIYSDSA-N 421.467 3.607 0 1 HHAF COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](C)C(=O)O)c3ccccc23)cc1 1857576223 JJHNIOMUWPGTSU-ZDUSSCGKSA-N 400.456 3.534 0 1 HHAF CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@H]1CNc1ccc(F)cc1OC(F)F 1857589403 JSBWHJBQMHGLNS-PBHICJAKSA-N 414.449 3.926 0 1 HHAF CC[C@@H](C)[C@H](N)C(=O)Nc1ccn2cc(-c3cc(Cl)c(OC)cc3OC)nc2c1 1857613180 UIYUZBKTTZUVEM-ODXCJYRJSA-N 416.909 3.984 0 1 HHAF O=C(O)c1ccnc(Nc2cc3nc(-c4ccc(C(F)(F)F)nc4)[nH]c3cn2)c1 1857755353 UUFSOAYTACDCLB-UHFFFAOYSA-N 400.320 3.876 0 1 HHAF COc1ccc(CCNC(=O)NC(=O)c2ccc(COc3ccccc3)cc2)cc1 1857765453 XGRBWYDVXWPPPT-UHFFFAOYSA-N 404.466 3.956 0 1 HHAF CN(Cc1ccccc1)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1 2356286382 PBPOKPBNPIAWHR-XJUOHMSHSA-N 408.615 3.815 0 1 HHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(C)=O)=CC[C@@H]1[C@](C)(CO)CCC[C@]12C 2356673329 HAGXKCYPEIDCHR-ZSLQJQOZSA-N 408.535 3.556 0 1 HHAF CC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 2356705376 KCYYRTYRZRLSJS-AEFFLSMTSA-N 420.387 3.500 0 1 HHAF CC(=O)OCC[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 205700454 NVBSSQAYDWACQW-SFTDATJTSA-N 420.550 3.812 0 3 HHAF COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C 767797 QMWAFKMUJMFCIJ-AEFFLSMTSA-N 403.276 3.638 0 1 HHAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)CC)cc1 4054648 AWMZWFIRCWVVKU-LMNJBCLMSA-N 416.905 3.718 0 1 HHAF CC[C@@H]1CCCCN1C(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12 4731106 LSMHAVKXRWDFNZ-MRXNPFEDSA-N 421.497 3.808 0 1 HHAF CO[C@H]1CC[C@@H](OC)C[C@H]1C1([C@@H]2C[C@H](OC)CC[C@@H]2OC)OC(=O)c2ccccc21 5808630 GRLWJBJNHZKQHW-PWNYLBOHSA-N 418.530 3.713 0 1 HHAF O=C(c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1)N1CCCCC1 29049832 WIXWXHYCJXRSEB-UHFFFAOYSA-N 413.326 3.988 0 1 HHAF COc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccccn3)n2)cc1 29128337 AQXGGRVGXYPDQH-UHFFFAOYSA-N 414.469 3.531 0 1 HHAF C[C@@H](c1ccccc1)[C@@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O 49720601 ZSMKXHCBQZQPGO-APJQNUAFSA-N 407.510 3.819 0 1 HHAF CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccccc1OCC 82199070 ZQBQYXNXKBECQU-SVKRATOZSA-N 416.562 3.801 0 1 HHAF COc1cc(CN2CC[C@H](Cc3nc(-c4ccc5c(c4)CCO5)no3)C2)ccc1F 84703952 BAPIYISFUMSAQA-MRXNPFEDSA-N 409.461 3.884 0 1 HHAF CCc1ccc(Oc2ccc(S(=O)(=O)NCCc3ccccn3)cc2F)c(O)c1 95577660 MMBGDBGGCNVZRP-UHFFFAOYSA-N 416.474 3.802 0 1 HHAF CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)ccc1O 103994878 YRSWRVLTJBAWFT-FQEVSTJZSA-N 401.459 3.789 0 1 HHAF O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCNC3)C2)cc1)N1Cc2ccc(F)cc2C1 166458527 UZGAKVYUPVRDPD-DEOSSOPVSA-N 422.504 3.589 0 1 HHAF CCOC(=O)c1cnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1 205635171 ZQNCASGEJFSEKA-UHFFFAOYSA-N 418.428 3.561 0 1 HHAF COCCc1c(-c2ccc(OCc3ccccc3)cc2)nc2cc(C(=O)O)nn2c1O 253677922 OCJPKPDTUFKZTN-UHFFFAOYSA-N 419.437 3.568 0 1 HHAF Fc1ccc2[nH]c(=NCCCN[C@@H]3CCNc4c(Cl)cc(Cl)cc43)[nH]c2n1 584904887 FPNBGOOGFIKSDR-CYBMUJFWSA-N 409.296 3.774 0 1 HHAF in-vitro CN(C)S(=O)(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060875 PRUWXNDNNPOVSE-UHFFFAOYSA-N 402.863 3.789 0 1 HHAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)c(F)c2)c1 587147315 LSUCQMUJBNCLJC-UHFFFAOYSA-N 405.385 3.842 0 1 HHAF Fc1cccc(Cn2nnc(-c3nc4ccnc(Br)c4[nH]3)c2Cl)c1 587160569 DKHYMYLTQWZEEW-UHFFFAOYSA-N 407.634 3.820 0 1 HHAF O=S(=O)(Nc1ccccc1-c1nc2c(Cl)ncnc2[nH]1)c1ccc(F)cc1 587170457 DDVFREYOJDPFDQ-UHFFFAOYSA-N 403.826 3.613 0 1 HHAF CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379932 YMIOIDJHKXWAPP-NRFANRHFSA-N 401.846 3.614 0 1 HHAF CCOC(=O)[C@@]1(c2nc3ccccc3n2C)CC(=O)c2ccc3c(c2O1)CCCC3 587516992 YURMNMTUVKZRSU-DEOSSOPVSA-N 404.466 3.876 0 1 HHAF COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559453 XNOAIBQIZILFTR-AVRDEDQJSA-N 412.344 3.701 0 1 HHAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 587598072 WBPWBEOXIVGAAF-ZCJJYNRISA-N 423.465 3.979 0 1 HHAF COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833051 FENDHDBESUCKQO-APBUJDDRSA-N 408.267 3.992 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 587930133 HHJHTDYBXJOHJR-OAHLLOKOSA-N 401.532 3.948 0 1 HHAF C[C@@H]1[C@@H](NC(=O)CNc2ccccc2-c2nc3ccccc3[nH]c2=O)CCC[C@H]1C 621442484 YRKXIWBDSZTCJM-RYRKJORJSA-N 404.514 3.943 0 1 HHAF N[C@@H]1C[C@H](c2ccccc2)CC[C@@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962672889 UFUBCPOGWVIHIF-GATLDECVSA-N 415.537 3.824 0 1 HHAF O=C1c2ccccc2[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@@H]1c1ccncc1 962731486 SOAAPBRKKQNHDE-MZKRTTBSSA-N 422.406 3.951 0 1 HHAF CCOC(=O)[C@@]1(c2ccc3c4c(cccc24)CC3)NCCc2c1c(C(C)C)nn2C 962918289 NXQWWJUFYNNTSE-VWLOTQADSA-N 403.526 3.748 0 1 HHAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)c(F)c1 1857550725 OHUAPBVRGBMSTM-FQEVSTJZSA-N 413.424 3.579 0 1 HHAF O=C(NCCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1 1857772613 OZAWXAOXPMUIGP-UHFFFAOYSA-N 420.509 3.921 0 1 HHAF CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C=Cc1c[nH]c2ccccc12 2356479681 ZPBZNCYZXLJJKQ-JOCHJYFZSA-N 401.466 3.953 0 1 HHAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 3060481 UQIWGPCEIAKMJG-UHFFFAOYSA-N 424.522 3.797 0 3 HHAF CC(=O)Nc1cccc(-c2cc3nc(NCc4cccnc4)n(C)c(=O)c3s2)c1 61906294 IGYYKSJKIVPLFC-UHFFFAOYSA-N 405.483 3.628 0 3 HHAF CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1cccnc1)C[C@H]1CCCO1 245227670 SDELAWGAEJBZMO-MJGOQNOKSA-N 412.563 3.655 0 3 HHAF Cc1ccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)c(Cl)c1 6839720 QFTXTIAOQBUETH-UHFFFAOYSA-N 401.875 3.589 0 1 HHAF Cc1ccccc1Oc1cccc(CCC[C@H](P(=O)(O)O)S(=O)(=O)O)c1 13746410 GNISWKIMKYNPEI-QGZVFWFLSA-N 400.389 3.502 0 1 HHAF CCCCOC(=O)[C@H](CCCC)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 13805222 VESDDTHMRCVBTQ-PMACEKPBSA-N 420.550 3.956 0 1 HHAF COc1cccc2c(C(=O)N[C@@H]3CCCC3(C)C)c(C)n(CCN3CCOCC3)c12 13817326 DKQJDLYJNNOLMR-HXUWFJFHSA-N 413.562 3.599 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccccc2)cc1 95893630 ZXOBBKUOKCACCL-DSITVLBTSA-N 414.505 3.685 0 1 HHAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 103871016 VXRZKMARJODZFD-LCPUNJGISA-N 406.442 3.977 0 1 HHAF O=C(O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(O)cc2)cc1 115731744 CJSFAFYZFSFUKP-UHFFFAOYSA-N 415.442 3.621 0 1 HHAF NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c(N[C@@H]3CCCNC3)ncnc12 167047628 ASDFZNDXNNEZEE-CYBMUJFWSA-N 416.312 3.866 0 1 HHAF NC[C@]1(c2cccc(Cl)c2)CC[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)CC1 168912405 RYNLQLYPXPWTEN-RZDIXWSQSA-N 413.875 3.605 0 1 HHAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 586944303 JTOQGSLXARMNPX-UHFFFAOYSA-N 418.700 3.596 0 1 HHAF CCCS(=O)(=O)N1CCC(c2nc3cc(C)cc(Br)c3[nH]2)CC1 586952412 KCXPJCTUCVQXOE-UHFFFAOYSA-N 400.342 3.553 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3noc(CN4CCCC4)n3)cc1)O2 587395224 LYAMSMSDBWOVTD-FQEVSTJZSA-N 404.470 3.930 0 1 HHAF COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4N/C1=C\Cl)[C@@H](C2)C3=O 587421306 LAPOLYCVLSLHFX-OLBLLAIRSA-N 410.857 3.807 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cc(Br)cn2)N1 587682937 MLDRESZTEMTIDY-RFAUZJTJSA-N 417.120 3.997 0 1 HHAF CCC[C@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587792325 BPWVYURVYSDUII-ADLMAVQZSA-N 400.288 3.640 0 1 HHAF COc1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(C)(C)O)cc1 1772601657 PKFBGXGLKXECGE-IZBOUPIGSA-N 414.590 3.951 0 1 HHAF COc1cccc(-c2cccc3c(=O)n(-c4ccc(N5CCOCC5)cc4)cnc23)c1 1772658208 ZKNSLDRLISIOIW-UHFFFAOYSA-N 413.477 3.898 0 1 HHAF Cn1ncc2c1OCCCCCn1c(nc3ccccc31)NC(=O)c1cc(F)nc-2c1 1857608121 XUHCGNIUATXAJQ-UHFFFAOYSA-N 420.448 3.786 0 1 HHAF COc1ccc(OCCCCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 1857614952 YVFUDDSWACLOLC-UHFFFAOYSA-N 407.514 3.794 0 1 HHAF COc1cc(C[C@@H]2COC(C)(C)OC[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 2356745027 YJHACFXKVFCHFP-HDICACEKSA-N 402.487 3.916 0 1 HHAF CC(C)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356745063 AQDAYDTZHUECMQ-TUQGZQLQSA-N 420.634 3.911 0 1 HHAF CCOC(=O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CCN1CCCCC1 2356827691 IOMQQFWDBUFLMA-FCHUYYIVSA-N 400.563 3.523 0 1 HHAF COc1ccc2cc3cc(C(=O)NCCN4CCc5ccccc5C4)oc3nc2c1 4057367 NKKZGLXAOYDZQW-UHFFFAOYSA-N 401.466 3.778 0 3 HHAF COc1ccc(Cl)cc1Cn1c(C)c(C(=O)NCc2ccc(F)cc2)sc1=O 61907374 MUHKTTPBPQNVNP-UHFFFAOYSA-N 420.893 3.998 0 3 HHAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 767568 DFRUECFLRCCPCX-MJGOQNOKSA-N 404.869 3.706 0 1 HHAF O=C(NCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 768301 MLHZVPVJKPZSRZ-PZJWPPBQSA-N 422.456 3.535 0 1 HHAF C[C@H]1CCC[C@H](NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)[C@@H]1C 4149205 XNZGKMNSSCMVFR-YPWWKCNHSA-N 406.592 3.712 0 1 HHAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295739 WBAJSWKTWYSGPD-HKUYNNGSSA-N 404.869 3.706 0 1 HHAF C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CCCCCOCc1ccccc1 13518541 FBSFKWRSULKVIM-RVDMUPIBSA-N 408.324 3.936 0 1 HHAF O=C(NC1CC1)C1CCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)CC1 45368552 PCESPHHPKHTTNV-UHFFFAOYSA-N 423.557 3.891 0 1 HHAF Cn1c(CCC(=O)O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 73224125 UDGUIMYKGUQDSW-UHFFFAOYSA-N 400.438 3.905 0 1 HHAF COCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc(F)cc1 82141675 BOUGSNCFTWHWKW-UHFFFAOYSA-N 408.477 3.622 0 1 HHAF CCOc1ccc(CCNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)cc1 82204124 DOXBUVXVQGJLKU-UHFFFAOYSA-N 418.545 3.560 0 1 HHAF Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cn1 84614895 UDTRDDNNNSSEKI-UHFFFAOYSA-N 416.529 3.882 0 1 HHAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1cccnc1 95565561 UYQYDZPFNWIRER-OAHLLOKOSA-N 411.811 3.561 0 1 HHAF COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633364 QAMRDZGBKVMJJI-CXAGYDPISA-N 400.475 3.508 0 1 HHAF CN1[C@@H]2CC[C@@H]1CC(CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 101276801 NDHVOPDKZALZCQ-DHIUTWEWSA-N 412.599 3.785 0 1 HHAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1OC 104115493 YOPSJSFIFAUHHY-IMGOXIFKSA-N 416.478 3.976 0 1 HHAF COc1cc(C(=O)Nc2ccccc2)c(Cl)cc1NC(=O)c1cnn2cccnc12 113655425 RQXLXPLKIMYQLW-UHFFFAOYSA-N 421.844 3.896 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 115456667 UHBPTWDWEKLBAG-HRCADAONSA-N 417.941 3.746 0 1 HHAF O=C1NN=C(c2ccc3nc(-c4ccc(CN5CCCCC5)cc4)oc3c2)[C@H]2C[C@H]12 168971948 RMFWPFHJDLPTSH-OALUTQOASA-N 400.482 3.951 0 1 HHAF Cc1ncoc1-c1nnc(SCCCN[C@H]2C[C@@H]3C[C@@]3(c3ccccc3)C2)n1C 169296850 XWXGIXOQLMBDID-FGSXEWAUSA-N 409.559 3.971 0 1 HHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OCC(C)C)c3F)C2)cc1 261083068 BZSHYGMADKUQCB-HNAYVOBHSA-N 416.497 3.505 0 1 HHAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 299883453 RJQYILQJIQRYRJ-IGOIZDSHSA-N 416.562 3.866 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(N)ccnc3[nH]2)c1 587049734 URWOCYRTFOKVFM-UHFFFAOYSA-N 400.870 3.503 0 1 HHAF O=S(=O)(c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1)C(F)(F)F 587122995 HHONXHOOKCFNDX-UHFFFAOYSA-N 407.320 3.562 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1sc(NC)nc1N)CC2=O 587495741 SIBOIYNRFSREDQ-QFIPXVFZSA-N 409.511 4.334 0 1 HHAF COc1ccc2c(c1)nc([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C 587574075 AJVDNTMBBFULIE-KNQAVFIVSA-N 402.406 3.990 0 1 HHAF COc1ccc2c(c1)nc([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C 587574076 AJVDNTMBBFULIE-SIKLNZKXSA-N 402.406 3.990 0 1 HHAF COC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587797631 WLFIJDMFQHYDPH-ODXCJYRJSA-N 422.294 3.938 0 1 HHAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 587933796 VLTJHRLAOQEWPE-UHFFFAOYSA-N 423.494 3.861 0 1 HHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccc(O[C@@H]2CCOC2=O)c1 962376219 UYCBJFXBTIEUMM-IFMALSPDSA-N 408.523 3.929 0 1 HHAF COc1ccc2c(c1OC)[C@@]1(CCCC[C@H]1N(C)C)N(C(=O)c1ccccc1N)CC2 963161581 UKAJYBWYHCZZOF-BWKNWUBXSA-N 423.557 3.684 0 1 HHAF C=CC(=O)Nc1ccc(-c2nc(=Nc3ccc(C(=O)N(C)C)cc3)cc(Cl)[nH]2)cc1 1857584131 QGLOGLULHYXMTJ-UHFFFAOYSA-N 421.888 3.789 0 1 HHAF O=C1C(=O)N(CCCCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21 1857656334 XAMVOBRYUJCXJP-UHFFFAOYSA-N 404.466 3.786 0 1 HHAF O=S(=O)(c1cccc(F)c1)n1cc(C2=CCNCC2)c2ccc3ncccc3c21 1857752643 UYHZFVBJZKBMJY-UHFFFAOYSA-N 407.470 3.942 0 1 HHAF CCn1c(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)cc2sccc21 5085503 JCAYXHWHQNRWRR-UHFFFAOYSA-N 401.557 3.953 0 3 HHAF CC[C@@H](C)N(CCNC(=O)C[C@@H]1Oc2ccc(C)cc2NC1=O)C1CCCCC1 13131285 UQEQFXDUZFOSKU-UTKZUKDTSA-N 401.551 3.634 0 3 HHAF COC(=O)CSc1nc(O)c2c(C(F)(F)F)cc(-c3cccs3)nc2n1 15481590 DMGBJWQAFZMZSB-UHFFFAOYSA-N 401.391 3.743 0 3 HHAF CN(C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 13537941 DIWXPXNCGSGMLS-MRXNPFEDSA-N 413.909 3.919 0 1 HHAF CCCc1nc(CO)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745639 ARYGHSNZESJNGL-UHFFFAOYSA-N 422.481 3.918 0 1 HHAF CN(C)c1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1 13780399 NCMSNHOGNPLCRC-UHFFFAOYSA-N 400.494 3.848 0 1 HHAF CSC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)O 27428453 OLVXVGXCNIFBSO-NRFANRHFSA-N 422.506 3.874 0 1 HHAF Cc1c(Cl)ccc2[nH]c(=O)n(C3CCN(C[C@@H]4COc5ccccc5O4)CC3)c12 27899677 VGJOLHKNULCEME-MRXNPFEDSA-N 413.905 3.768 0 1 HHAF O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4cccc(F)c4)ccc31)CCCC2 28335000 IXYCZLLSOQSVFH-UHFFFAOYSA-N 416.474 3.935 0 1 HHAF CC(C)N1c2ccccc2[C@H](c2ccc(F)cc2)[C@@H]1/C=C/[C@H](O)C[C@H](O)CC(=O)O 34012531 CRBHVCVVJPUERN-SAXUVNLTSA-N 413.489 3.697 0 1 HHAF COc1cc(N[C@@H](C)CCCNC(=O)n2nnc3ccccc32)c2ncccc2c1 40379852 NAHXODROLNGJLS-HNNXBMFYSA-N 404.474 3.827 0 1 HHAF C1CCN(CCCOc2nc3c(s2)CCN(CCCN2CCCCC2)C3)CC1 64548595 SPEOAOQMPSITRE-UHFFFAOYSA-N 406.640 3.632 0 1 HHAF CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CCNC(C)=O 82181008 GTEQCMFZUWOBKD-UHFFFAOYSA-N 412.513 3.660 0 1 HHAF O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 84712858 WWOUDWIOTMVQOQ-INIZCTEOSA-N 410.484 3.729 0 1 HHAF O=S1(=O)CCC(CNc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 113134112 CMRIEMCRHXFCTK-UHFFFAOYSA-N 424.448 3.652 0 1 HHAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@]1(O)c1cccc(F)c1)CC2 115317135 VTESATXDAMBSLY-JCYRPKCISA-N 422.544 3.952 0 1 HHAF COc1cccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 142079340 QOEHDCORKMZOHM-XJKSGUPXSA-N 424.461 3.690 0 1 HHAF COc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)COC(C)(C)C3(F)F)c2)cn1 169702903 POSSNERCWDVBPP-LJQANCHMSA-N 408.424 3.989 0 1 HHAF Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@H]4C[C@H]1C[C@@H](C4)C[C@@H]23 195412066 YZXGXCSVJCWIGP-VNBMYBDRSA-N 409.574 3.661 0 1 HHAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cc(Cl)c(Cl)cc1F 221679292 MQSONJGUBHNIMZ-ATEUNZGCSA-N 415.252 3.802 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2C3CC4CC(C3)CC2C4)cc1F 261078665 BIJLXVJOTRLSDU-UHFFFAOYSA-N 407.507 3.596 0 1 HHAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCNC4)n3)c(Cl)cn2)CC1 261136415 MDHNKWXSQVMZGA-BRWVUGGUSA-N 415.969 3.924 0 1 HHAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C(F)F)CCCCC2)cc1F 261158092 QIORBNPHCMKQFW-UHFFFAOYSA-N 419.465 3.987 0 1 HHAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c1 586904643 XFXGTWLRRMVPRV-MRXNPFEDSA-N 403.504 3.579 0 1 HHAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 586944271 JASKLODCTLNAPY-UHFFFAOYSA-N 405.479 3.911 0 1 HHAF CC1=C(c2ccc3nc(-c4ccnc(Cl)c4Br)[nH]c3c2)NNC(=O)C1 586979035 FOQGTOUURWKLFD-UHFFFAOYSA-N 418.682 3.796 0 1 HHAF COC(=O)CC[C@H](N)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587258393 JYAWPSDDSAOXIL-AWEZNQCLSA-N 420.391 3.787 0 1 HHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(I)c1)[C@@H](C2)C3=O 587426324 BGOIHTNOBRYRGR-SGTLLEGYSA-N 422.218 3.797 0 1 HHAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc3c(c1)OCCO3)CC2=O 587493264 UKXDTMXMONIAPB-HSZRJFAPSA-N 412.438 3.540 0 1 HHAF C[C@@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522913 FKLHYAWEOPJGII-DEOSSOPVSA-N 403.434 3.986 0 1 HHAF CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531139 IPETTZGWLPNIOV-FPOVZHCZSA-N 410.495 3.561 0 1 HHAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576469 JBZOIKIMQRPWHY-XXBNENTESA-N 407.422 3.784 0 1 HHAF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccn(C)n1 587627582 DMLPMEMRFJNCMP-UHFFFAOYSA-N 419.281 3.957 0 1 HHAF O=C(c1cc(Br)c[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656061 ACGBOGUCEQVCKC-UHFFFAOYSA-N 412.218 3.982 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 587702797 WQRSFNCHBRLBGW-DYBLOJMWSA-N 409.686 3.996 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 587739092 TXPMADWRSOXHFG-LOTHZSBOSA-N 417.294 3.907 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@@H]3CCOC3=O)c2)N1 587837025 YSUGQOTVSFQHOJ-CXWAGAITSA-N 420.278 3.906 0 1 HHAF Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)c(C)c1 653711348 AHHLHGMBGXSSSV-UHFFFAOYSA-N 410.514 3.516 0 1 HHAF CC(=O)Oc1cccc([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962917062 YYKLCYKOYWXRLV-UPVQGACJSA-N 405.425 3.642 0 1 HHAF COc1c([C@@]2(C)NCCc3c(C)ccnc32)ccc(I)c1F 963073329 POJKHCIQSYDVNG-QGZVFWFLSA-N 412.246 3.552 0 1 HHAF CCCn1cc(-c2nc(Nc3ccc(N4CCN(C)CC4)cc3F)ncc2F)cn1 1857541117 YUBGHEBARUIXFI-UHFFFAOYSA-N 413.476 3.524 0 1 HHAF C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1ccc(F)cc1Cl 1857565090 IDBPENFHXGKGJF-SUMWQHHRSA-N 413.880 3.919 0 1 HHAF NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc([C@H](O)CO)ccc23)c1 1857619427 FHNNKMFSZKCXQN-HXUWFJFHSA-N 404.482 3.523 0 1 HHAF CNC(=O)c1ccc(Nc2cc3nc(-c4ccc(C(F)(F)F)nc4)[nH]c3cn2)nc1 1857645783 OOEMLDXBNZJGBY-UHFFFAOYSA-N 413.363 3.537 0 1 HHAF CN(C)/C=C1\C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(c2cccs2)C1=O 1911579896 IDHVRBOPPPABAT-BYIUCRAPSA-N 424.353 3.922 0 1 HHAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 769280 DEOCSBSDPUVFFT-IRFCIJBXSA-N 410.857 3.875 0 1 HHAF Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)cc2)c1 13153064 LMMYRXURCHDBOR-KDJJVYBXSA-N 404.466 3.692 0 1 HHAF CCCCc1nn(CCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832667 RVAXYBUSVWMATJ-UHFFFAOYSA-N 417.517 3.693 0 1 HHAF COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 28817410 CLXMUYLJOYEQAM-IRLDBZIGSA-N 422.481 3.542 0 1 HHAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCC(CO)CC4)ccc32)cc1 28818047 OHIPOORSUHEFRE-AREMUKBSSA-N 424.585 3.746 0 1 HHAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2c(N[C@H]3CCCNC3)cccc12 35285437 YWDRMIRBEKKNEW-INIZCTEOSA-N 406.511 3.713 0 1 HHAF CC(C)COc1nc(-c2ccccc2)n(S(=O)(=O)c2cccc3cccnc23)n1 45367654 GZYUOROBAQYZDU-UHFFFAOYSA-N 408.483 3.765 0 1 HHAF COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1Br 58576188 BIBCJTFJPMGRLQ-UHFFFAOYSA-N 420.263 3.731 0 1 HHAF CC(C)N1CNc2c(NCCCc3ccccc3)nc(N3CCCC[C@@H]3CCO)nc21 70719320 KKJGYHBJTFKTLN-HXUWFJFHSA-N 424.593 3.860 0 1 HHAF COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(C)C3CCCCC3)n2)cc1 82066557 QXHVYBWUOPKMRW-UHFFFAOYSA-N 415.538 3.872 0 1 HHAF COc1cc2nc(NCCCn3ccnc3)nc(NCc3ccccc3)c2cc1OC 82126414 BKZSEGSITKQLDI-UHFFFAOYSA-N 418.501 3.958 0 1 HHAF COCCN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 95604401 MPMKSKFOWRGWNB-JOCHJYFZSA-N 413.905 3.567 0 1 HHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C1=CCN(C(=O)Oc2ccccc2)C=C1 100050633 JLUVPJKWCXMULZ-QOJBNDRUSA-N 424.453 3.895 0 1 HHAF CC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1C(F)(F)F)C1CC1 144708212 ZQLQOIAWUSKDNB-UHFFFAOYSA-N 405.486 3.985 0 1 HHAF CC1(C)CC(=O)c2c3c(n(-c4ccc(C(N)=O)c(N[C@H]5CCOC5)c4)c2C1)CCCC3 169308156 ZRFHTXGPVLSYHB-HNNXBMFYSA-N 421.541 3.811 0 1 HHAF COc1cccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)c1 169351235 GYFAUZMSCNTVFO-DEOSSOPVSA-N 408.498 3.502 0 1 HHAF COc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(S(=O)(=O)NO)cc2)C1(C)C 208054516 SRVPIZHBQNKZSO-YJBOKZPZSA-N 410.923 3.868 0 1 HHAF COC(=O)c1cc(Cl)c2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2c1 586948325 NKZRRWXAZUZPCX-UHFFFAOYSA-N 407.879 3.820 0 1 HHAF Cc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1F 586951161 JMWIDMFQNMPULV-UHFFFAOYSA-N 424.295 3.881 0 1 HHAF CCOc1ccccc1[C@](N)(c1nc2ccnc(Br)c2[nH]1)C(F)(F)F 587091077 AUTMMNBIRIQPRV-HNNXBMFYSA-N 415.213 3.884 0 1 HHAF N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1F 587142530 DJTRCQIRDXAWPZ-NSHDSACASA-N 414.076 3.865 0 1 HHAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587198467 LRVIHBRHCRPOTC-UHFFFAOYSA-N 411.465 3.973 0 1 HHAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc3c(c1)OCCO3)CC2=O 587493266 UKXDTMXMONIAPB-QHCPKHFHSA-N 412.438 3.540 0 1 HHAF Nc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1CN1C(=O)c2ccccc2C1=O 587639471 XIUHALMUMDMRJQ-UHFFFAOYSA-N 411.417 3.912 0 1 HHAF CS(=O)(=O)c1cc(F)ccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658628 QIHBLOALBKJKON-UHFFFAOYSA-N 412.417 3.734 0 1 HHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 587716781 DWPOHIGGGBFCJV-XYZCENFISA-N 416.241 3.589 0 1 HHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 587772110 VCNGOCDESGSKBC-GIPWTMENSA-N 417.278 3.784 0 1 HHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC(C)(C)C)cn1 587872454 NIOSLQUQWXZRGT-UHFFFAOYSA-N 418.494 3.549 0 1 HHAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(Br)c(OC)cc1OC 617965228 YBGSBEKTFQRPBX-MRPLLJTBSA-N 415.309 3.663 0 1 HHAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(C=C(Br)CCC2)N1 962622164 BBCFJOCUWCWYMI-HIFRSBDPSA-N 406.198 3.842 0 1 HHAF COc1cc2c(cc1OC)[C@@H](c1cc(F)cnc1C)N(C(=O)c1ccccc1N)CC2 963158308 SDMBFMDRJJGSPL-HSZRJFAPSA-N 421.472 3.916 0 1 HHAF Cc1c(O)ccc2c1[C@@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)N[C@H](C(=O)O)C2 963511037 RWSKBIGYTVCFBE-SIKLNZKXSA-N 403.434 3.754 0 1 HHAF CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(C)=O)C4)n[nH]c2c1 1772572357 WRUDXZXEQPEDCJ-UHFFFAOYSA-N 401.470 3.793 0 1 HHAF O=C(NCc1ncc(-c2ccc(Br)cc2)[nH]1)C1=Cc2ccccc2OC1 1772649665 OIJZOMROXRCIKE-UHFFFAOYSA-N 410.271 3.931 0 1 HHAF CC(C)=CCN(C(=O)CCN1CCN(C2CC2)CC1)c1ccc2c(C)cc(=O)oc2c1 1911580691 YAIKJUDJUMXOLU-UHFFFAOYSA-N 423.557 3.571 0 1 HHAF C[C@]12CC[C@@H](OC(=O)Nc3cccc(F)c3)[C@](C)(CO)[C@@H]1CC[C@@H]1OC(=O)C[C@H]12 2356816917 DFKIWXJNPPNXOP-FDNYNCRQSA-N 405.466 3.883 0 1 HHAF CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3nc4c(C)cccc4[nH]3)no2)cc1 15934003 RDWSHOBQNPGCII-UHFFFAOYSA-N 418.453 3.913 0 3 HHAF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055138 JXMASSWBTSIIKE-HKUYNNGSSA-N 405.951 3.951 0 1 HHAF O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 14968691 OOWWRLDCRDKVLB-GOSISDBHSA-N 410.477 3.716 0 1 HHAF COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1OC 23739393 KTUQRZKFOKNHOZ-UHFFFAOYSA-N 400.544 3.602 0 1 HHAF CCOC(=O)c1ccc(CO[C@H](COCc2ccc(OC)cc2)Cn2ccnc2)cc1 29347892 AQVQUAZYWVZNBT-QHCPKHFHSA-N 424.497 3.871 0 1 HHAF O=C(N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1F)c1ccc2ccccc2c1 38349060 ZUKHRNYRZINLAJ-QGZVFWFLSA-N 421.336 3.568 0 1 HHAF O=C1O[C@@](CO)(COC(=O)c2ccccc2)C/C1=C/c1ccc(C(F)(F)F)cc1 40891703 XGVYMJWZCHHEQD-PDANQNNMSA-N 406.356 3.624 0 1 HHAF O=C(NC1CC1)c1ccc(F)c(Nc2nncc3c2cnn3-c2ccc(F)cc2F)c1 49051587 IOGOHHWAXHVPLU-UHFFFAOYSA-N 424.386 3.869 0 1 HHAF CC(C)C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72103402 RHEYJKSCHZHNIQ-IBGZPJMESA-N 406.452 3.821 0 1 HHAF C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCc1ccccn1 82084022 PHOKUZYFYJCOMV-INIZCTEOSA-N 415.449 3.794 0 1 HHAF CC(C)c1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O 82231652 LJKYOBHLQWPJRR-UHFFFAOYSA-N 417.435 3.787 0 1 HHAF CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cc(OC3CCC3)cc12)c1cccc(F)c1 167013477 UGSMZLIUJPNNFB-FQEVSTJZSA-N 423.492 3.514 0 1 HHAF Clc1cnc(NC[C@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1 169703833 YGZJTPRFLHVRDC-MRXNPFEDSA-N 401.942 3.799 0 1 HHAF COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@H](C)CN)c1 204151175 SOYCCBHGJYSWNQ-OAHLLOKOSA-N 418.501 3.533 0 1 HHAF COc1ccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)cc1 204914870 QVYDDFGTHKLMGX-UHFFFAOYSA-N 407.875 3.948 0 1 HHAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(C(F)(F)F)c1F)C2 219539794 KQFUVCDJYBVSHT-JTQLQIEISA-N 419.382 3.920 0 1 HHAF COC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 253819973 ZJFUMBPXVUQPSJ-YIKOMLBNSA-N 419.690 3.684 0 1 HHAF Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2)cn1 473117358 YUDJZMZQROGSLS-UHFFFAOYSA-N 403.457 3.794 0 1 HHAF Cc1cc(Br)c2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 586927885 YVLHTXOSGYTSAC-UHFFFAOYSA-N 421.316 3.853 0 1 HHAF COC(=O)c1cc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1OC 587043849 WCLVBPULGFYFAS-MRXNPFEDSA-N 417.874 3.667 0 1 HHAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cncc(OC)c3[nH]2)c1 587048153 GFNUWBOKQZOMHL-UHFFFAOYSA-N 415.881 3.930 0 1 HHAF CN[C@@H](c1cccnc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587223691 PMHQSAXPGCULMA-ZDUSSCGKSA-N 401.186 3.928 0 1 HHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587229522 BKTJUQOFXPXHLC-MNOVXSKESA-N 420.382 3.648 0 1 HHAF CC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339791 SSLQJMHJMZQOQQ-ISKFKSNPSA-N 405.425 3.922 0 1 HHAF CS(=O)(=O)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361673 YQHQWTDLKDTQQF-SBHAEUEKSA-N 404.459 3.616 0 1 HHAF COc1cccc(I)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587386726 LWDIZNDCWDZHDJ-OAHLLOKOSA-N 409.223 3.897 0 1 HHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCC3OCCO3)cc1)(C1CCC1)O2 587412195 MIQBLGZLXCCEFK-XMMPIXPASA-N 409.482 3.990 0 1 HHAF COc1cc2c3c(c1)O[C@@]1(CCc4c(I)cccc41)[C@@H](C2)C3=O 587428750 QNXTWCHPJWLRAF-IFXJQAMLSA-N 418.230 3.889 0 1 HHAF NS(=O)(=O)c1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532503 OGPAKYNSUKTTIP-QFIPXVFZSA-N 422.506 3.710 0 1 HHAF C[C@@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549409 WSPLXXZZKKDZOJ-DNVCBOLYSA-N 413.227 3.822 0 1 HHAF COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559455 XNOAIBQIZILFTR-PGRDOPGGSA-N 412.344 3.701 0 1 HHAF CCOC(=O)CC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585162 CEHRUZDGBACOBB-XUZZJYLKSA-N 419.433 3.988 0 1 HHAF Cn1cc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 587609138 BQUMNHOSGPOICO-YLJYHZDGSA-N 405.435 3.952 0 1 HHAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611991 SUSZFBYEPQKELP-GBXCKJPGSA-N 416.385 3.919 0 1 HHAF CCn1nccc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762410 YJJHKBKNIKIVAX-REVSUANVSA-N 407.331 3.658 0 1 HHAF COc1ccc(C=O)c(-c2nc3cc(I)ccc3[nH]2)c1OC 587786185 JQOKZEISGSSKMR-UHFFFAOYSA-N 408.195 3.664 0 1 HHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNC(=O)c1cccnc1 587858315 DQBXCDIXGXDOPD-UHFFFAOYSA-N 419.268 3.721 0 1 HHAF CCCCCOCCCCCCNC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 1857638193 WGOXDNXORZPRRW-JOCHJYFZSA-N 424.536 3.801 0 1 HHAF O=C1CCCN1c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1 1857771711 UUFTURFRQQMELS-UHFFFAOYSA-N 410.905 3.614 0 1 HHAF COC(=O)[C@@]1(COC(C)=O)CCCC2=C1CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 1911582449 MCYQYNZJVHWUBY-PVUOYTHGSA-N 416.470 3.887 0 1 HHAF Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2cccs2)cc1 5005363 NUJHDRRAWNKUSW-UHFFFAOYSA-N 412.536 3.841 0 3 HHAF aggregator C[C@H](CO)NC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 6201976 NGOJVBATSPYRKC-USLZCFDFSA-N 424.541 3.813 0 3 HHAF COC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccco1 8691310 GATXBLMQBXOTFR-UHFFFAOYSA-N 406.847 3.930 0 3 HHAF COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3sccc3C)C2)cc1OC 11878321 AINKMQBSVUMJFR-GOSISDBHSA-N 402.560 3.853 0 3 HHAF CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(c2ccncc2)CC1 95569951 KHQPAGYJNOSQJL-JOCHJYFZSA-N 417.517 3.526 0 3 HHAF CS(=O)(=O)c1ccc(-c2cnn(-c3ccccc3)c(=O)c2-c2ccccc2)cc1 13487663 MAXGWTGCLOXELV-UHFFFAOYSA-N 402.475 3.970 0 1 HHAF CCOC(=O)[C@@H](C)Nc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12 13741055 SYHPKSOBMUGCEF-CQSZACIVSA-N 417.487 3.609 0 1 HHAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H]1OC[C@@H](C2)[C@H]1C 15274117 JLMUSMSEIUWJJB-YZRASEIHSA-N 416.470 3.982 0 1 HHAF biogenic,in-vitro CCOC(=O)Nc1nc(NC(=O)OCC)c2c(c1N)N[C@@H](C)C(c1ccccc1)=N2 26401459 YFZYNEWERNLBBH-NSHDSACASA-N 412.450 3.735 0 1 HHAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC[C@@H](c2c[nH]c3cc(F)ccc23)C1 26495159 ASDKFOKSFQKONG-UZUQRXQVSA-N 407.489 3.899 0 1 HHAF O=C(O)CCNC(=O)[C@H](CCc1ccccc1)C[C@H](CCc1ccccc1)C(=O)O 26571094 CSNTXZULZKKKHM-RTWAWAEBSA-N 411.498 3.550 0 1 HHAF Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCC(=O)N1CCOCC1 45259968 ANHUHZSBZDOOAQ-XRODADMRSA-N 412.574 3.731 0 1 HHAF O=C(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Oc1cccc(C(=O)O)c1 45338827 LWFKUQBWEFJNHB-UHFFFAOYSA-N 403.434 3.909 0 1 HHAF Cc1cccnc1-n1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O 73296730 DLAXWULAMBVPFO-LJQANCHMSA-N 404.514 3.856 0 1 HHAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 82070927 WEAUJGLZMJGQGI-HNNXBMFYSA-N 420.531 3.687 0 1 HHAF COc1cccc(CCNc2nc(N3CCCC3)nc3cc(OC)c(OC)cc23)c1 82127576 RKRWGEBTYWIMCM-UHFFFAOYSA-N 408.502 3.910 0 1 HHAF CNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 84708938 GEVKVPCFOBWCIY-MRXNPFEDSA-N 406.269 3.793 0 1 HHAF CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@H](N)CC2 88260925 RTHRYZMOKATZKP-DHIUTWEWSA-N 418.578 3.688 0 1 HHAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(OC(F)(F)F)ccc2c1=O 95553298 VOCZHKKWEJSXSB-UHFFFAOYSA-N 421.327 3.999 0 1 HHAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H]1CO 95878736 BKTNQFPVSPQVST-ATZDWAIDSA-N 407.352 3.730 0 1 HHAF CCC(=O)[C@H]1[C@@H](c2ccc(I)c(F)c2)C[C@@H]2CC[C@@H]1N2C 169373427 MFXOPVPJQXKRIK-RBNVPPIJSA-N 401.263 3.976 0 1 HHAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)O)no2)cc1C#N 202709596 HICWSCLKDYAXPD-LJQANCHMSA-N 418.453 3.724 0 1 HHAF N#C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1 219305913 PZGCLZNIYNHOLQ-IBGZPJMESA-N 422.895 3.905 0 1 HHAF CO[C@H]1CC[C@@H](OC)C[C@H]1[C@@]1([C@@H]2C[C@H](OC)CC[C@H]2OC)OC(=O)c2ccccc21 254113540 GRLWJBJNHZKQHW-OSUADUNTSA-N 418.530 3.713 0 1 HHAF COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2c1 586881494 GOTNXMAZLALSRS-VOTSOKGWSA-N 401.216 3.877 0 1 HHAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 586962529 XNYWQQZPSJMZGX-NDXORKPFSA-N 411.527 3.750 0 1 HHAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 587115723 YTALKWDIYVVLDE-UHFFFAOYSA-N 400.426 3.618 0 1 HHAF CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422973 HNWHSJQEPPWZJY-GTJPDFRWSA-N 424.346 3.848 0 1 HHAF CCCc1c(O)ccc2c1O[C@](c1cccc3cc(OC)ccc13)(C(O)O)CC2=O 587484184 WYZLHXOHRSYGME-XMMPIXPASA-N 408.450 3.678 0 1 HHAF Cn1ncc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538805 GNAFALRUXSPILI-HNAYVOBHSA-N 415.243 3.765 0 1 HHAF CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799594 SPUKVCZEKOKDNS-MJLGCCKJSA-N 412.299 3.640 0 1 HHAF COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587810736 VTVFHERTZZONBJ-OVWNDWIMSA-N 408.267 3.878 0 1 HHAF COc1cc(/C=C/n2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)nn2)ccc1O 653795363 MXQAWIVCFCALFC-GLVZAGOZSA-N 409.442 3.816 0 1 HHAF CCC[C@@H](C(=O)OCC)[C@]1(C(=O)OCC)c2cc(OC)ccc2CCN1C(C)C 962092077 OXEFMPZKUAVCKZ-WMZHIEFXSA-N 405.535 3.700 0 1 HHAF CN1C(=O)C[C@@H]2CN[C@](c3cccc(Cl)c3)(c3cccnc3N)c3cccc1c32 963017445 CQGJKWIUURNXEH-FATZIPQQSA-N 404.901 3.662 0 1 HHAF COc1cc2c(cc1OC)[C@](C)(c1cc(C)no1)N(C(=O)c1ccccc1N)CC2 963135739 DSMKQPIGJGFZGT-HSZRJFAPSA-N 407.470 3.544 0 1 HHAF CCn1c(=O)cc(N2CCOCC2)c2cc(-c3nccn3-c3ccccc3)ccc21 1857577015 TXDATYOSTUIUEY-UHFFFAOYSA-N 400.482 3.711 0 1 HHAF Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(NC(=O)OC2CCCC2)cc1 1857765654 HFPLBGAQOPINQB-UHFFFAOYSA-N 402.472 3.605 0 1 HHAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@H]3F)[nH]c2c1 2356299252 CPCFJNQTGBWBHN-VQIMIIECSA-N 417.868 3.742 0 1 HHAF CCCCC[C@H](C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)OC)OC(C)=O 2356660583 IDRDPQADACSXNY-JBPLPALLSA-N 408.535 3.910 0 1 HHAF CCCNC(=O)C1(C[C@@H]2CC(c3ccccc3)=NO2)CCN(C(=O)C2(C)CC2)CC1 12726200 CUOYXEBLPQYINC-IBGZPJMESA-N 411.546 3.505 0 3 HHAF CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(OC)c(OC)cc1c2=O 61921290 MKORPHXBHYBLAS-KRWDZBQOSA-N 415.449 3.751 0 3 HHAF COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 61923870 DHRQNBNEDDZWRJ-VJBWXMMDSA-N 424.545 3.620 0 3 HHAF CCN1CCC[C@@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C 4904450 DVWXXJHSHNVODR-GOSISDBHSA-N 420.557 3.822 0 1 HHAF CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)/N=c1\sc(C(C)(C)C)c(C)n1C 14944752 BPDNNSRGEJFONA-SILNSSARSA-N 415.968 3.594 0 1 HHAF COc1ccc(Sc2ccc(OC)cc2N2C[C@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28363780 XUKXXBVOWRNHFL-HOTGVXAUSA-N 416.543 3.839 0 1 HHAF Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1 28704217 UXCCYRSVXPBQMU-UHFFFAOYSA-N 411.527 3.790 0 1 HHAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CC(Nc4ccccc4)C3)c(F)cc2c1=O 28819216 IPXIARFIAJEILS-UHFFFAOYSA-N 411.408 3.614 0 1 HHAF COc1ccc(CCN(C)C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC 66139260 UCFWNBABFJASNS-FQEVSTJZSA-N 414.521 3.756 0 1 HHAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3ccccc3c2)c1F 84651890 DODKKMVEACMFCI-UHFFFAOYSA-N 405.426 3.917 0 1 HHAF Cc1ccc(Cn2cc(CSC(=S)N3CCN(c4ccccc4)CC3)nn2)cc1 96285684 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COc1cc2c3c(c1)O[C@@](C)(c1cc(I)ccc1N)[C@@H](C2)C3=O 587427670 KJOWWXNRQBVCMO-UGSOOPFHSA-N 421.234 3.545 0 1 HHAF COCOc1ccccc1[C@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435784 IPEPPNXQRUAJIX-DVECYGJZSA-N 403.434 3.764 0 1 HHAF CCOC(=O)CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587194 LQCWBSPQGOWWKR-QPPBQGQZSA-N 419.433 3.988 0 1 HHAF COCCn1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587756881 MPBBGOXBGTYGSI-NSPYISDASA-N 410.331 3.846 0 1 HHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 587791012 DRRPIUZJJRNRQP-PWJLMRLQSA-N 404.239 3.786 0 1 HHAF CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807697 LLJDUQXBAQRQKC-YUNKPMOVSA-N 422.294 3.938 0 1 HHAF CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834501 LAPIYHNYCWMAHS-BLVKFPJESA-N 414.315 3.698 0 1 HHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 587849421 LJKCCPZVNHGXGG-ZMZPIMSZSA-N 412.324 3.789 0 1 HHAF CNC(=O)c1cccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 621476498 HZEYXLUEWCCGHH-UHFFFAOYSA-N 409.239 3.763 0 1 HHAF Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccccc4)ccc32)cc1C(F)(F)F 653915686 XFOALHMFSPSUEC-UHFFFAOYSA-N 411.383 3.802 0 1 HHAF COc1ccc2c(c1OC)[C@@](C)(Cn1ccc(=O)c3cccc(OC)c31)N(C)[C@@H](C)C2 962576988 VCOFRTYEVSODHB-IVCQMTBJSA-N 422.525 3.819 0 1 HHAF COc1ccc(F)c([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1F 962673377 UNHBSIWRBVQKMP-GOTSBHOMSA-N 412.436 3.884 0 1 HHAF COc1ccccc1[C@@]1(CCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962767744 QOOXGADFVGJOTF-UWJYYQICSA-N 421.415 3.839 0 1 HHAF Cc1ccc2c(c1)[C@@]1(NCCc3c1c(C(C)C)nn3C)c1cc(C(=O)O)c(C)nc1O2 962924199 WDGKXFMYJWJLII-XMMPIXPASA-N 418.497 3.797 0 1 HHAF CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)NCCc2cc3cccc(OC)c3nc21 963061869 YUJBLUNFXIKBMQ-KRWDZBQOSA-N 418.362 3.735 0 1 HHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)CC(F)(F)F)c2cn1)c1ccccc1 1772570600 VVEXJLPIQFPCAV-SNVBAGLBSA-N 406.368 3.732 0 1 HHAF NCc1cc(Oc2cccc(C(=O)N3CC4(CCOCC4)C3)c2)nc(C(F)(F)F)c1 1857620373 MDPSWPGUOCQNMH-UHFFFAOYSA-N 421.419 3.604 0 1 HHAF CN(C)c1ccc(Nc2nc3cc(Oc4ncnc5c4cnn5C)ccc3n2C)cc1 1857629347 METTWBMAQQFOTR-UHFFFAOYSA-N 414.473 3.852 0 1 HHAF COc1ccc2nc(CO[C@@H]3CN(Cc4cn(C)c5ccccc45)C[C@H]3F)[nH]c2c1 2356299936 QTWWQCCDBRESBK-XMSQKQJNSA-N 408.477 3.802 0 1 HHAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)NC(=O)N1CCCC(=O)O 8680143 XNKVRXVTIXOUKA-IBGZPJMESA-N 414.483 3.697 0 3 HHAF COc1cc2cc(C(=O)Nc3cc4n(n3)-c3ccccc3C4)[nH]c2c(OC)c1OC 1663071 QIZWXQYRUHNGOD-UHFFFAOYSA-N 404.426 3.536 0 1 HHAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4039044 FBADSMWPOHDRAR-FIXSFTCYSA-N 423.557 3.855 0 1 HHAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([C@@H](C)O)[nH]c(=O)c12 13585135 AIUPGVJWJQYGSO-RXMQYKEDSA-N 405.694 3.844 0 1 HHAF Cc1cc2c(cc1C)O[C@@H](CN1CCC(n3c(=O)[nH]c4cc(F)ccc43)CC1)CO2 27893299 MQTFWUUDHZHRKG-SFHVURJKSA-N 411.477 3.562 0 1 HHAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1ccccc1F 28702108 ZPFDQCHFPWHZIK-SFHVURJKSA-N 412.421 3.577 0 1 HHAF O=C(Cc1ccccc1)O[C@H](COCc1ccccc1)C(=O)NCc1ccccc1 38879779 JUWWVSLBNQJCGV-HSZRJFAPSA-N 403.478 3.674 0 1 HHAF CC[C@H](C)Nc1cc(-c2[nH]c(SC[C@@H](O)CO)nc2-c2ccc(F)cc2)ccn1 40393264 GMZIOTLCLOPOAC-GUYCJALGSA-N 416.522 3.934 0 1 HHAF CC(C)C[C@@H](NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)OC(C)(C)C)C(=O)O 40587797 PMHNFWJIPVUVTO-SOLBZPMBSA-N 422.547 3.653 0 1 HHAF COC(=O)c1cc(-c2cc(OC)ccc2OC)c2n1CCc1cc(O)c(OC)cc1-2 40762848 WQIZPOUPDADILD-UHFFFAOYSA-N 409.438 3.896 0 1 HHAF Sc1nnc(CO[C@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)o1 40914078 NHXSGZKZCMXXIL-OAHLLOKOSA-N 414.878 3.623 0 1 HHAF COC(=O)c1coc2c1C(=O)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2 40957820 NKKPANFCGMJOFW-CQSZACIVSA-N 413.445 3.545 0 1 HHAF NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCSc3ccccc32)c(Cl)cc1Cl 66166011 RSVXEXIWBMQVBW-CYBMUJFWSA-N 417.339 3.608 0 1 HHAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(Cl)c1 71331432 KZYSDCNLDBFBOK-UHFFFAOYSA-N 408.781 3.893 0 1 HHAF CNc1nc2cnc(Nc3ccc(O)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 82083374 GQDVJXNTJCIXSE-UHFFFAOYSA-N 421.457 3.937 0 1 HHAF COc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@@H]4[C@H](C2)N(C)CC[C@@]341 101165943 RBQKCFLDNBVADS-AADJGKJHSA-N 417.549 3.992 0 1 HHAF CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCN(C(=O)CC3CCCC3)C2)N=C1N 137577170 ZROUWOKUKKGJPH-HYBUGGRVSA-N 416.610 3.691 0 1 HHAF in-vitro O=C1CCCN1CCCc1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144923638 CPCCTTNWFGLSKW-OAQYLSRUSA-N 405.416 3.513 0 1 HHAF O=C(Cc1ccccc1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H](N3CCCC3)[C@H]21 169325651 FTILCKRWMSJYSB-ZWEKWIFMSA-N 417.597 3.959 0 1 HHAF N#Cc1cc(Nc2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)ccn1 223529864 JPFOYLHJDGSLGD-DOTOQJQBSA-N 411.334 3.667 0 1 HHAF CC[C@@H](c1nc2cncc(Cl)c2[nH]1)n1cc(I)c(C)n1 587186131 SBPYBRUYHOTHMI-NSHDSACASA-N 401.639 3.720 0 1 HHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O 587439542 VHPCNCHMFBYMTO-IEJSTOHGSA-N 423.509 3.672 0 1 HHAF O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 653891142 INGBGXUKWXLGIA-UHFFFAOYSA-N 401.419 3.526 0 1 HHAF Cc1ccc([C@]2(C(O)O)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1 961782710 ZLMCHNSLGKXWMG-RUZDIDTESA-N 424.541 3.701 0 1 HHAF Cn1nc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1-c1cccs1 962995570 OMQIFUGFVNOTOC-YVEFUNNKSA-N 409.845 3.769 0 1 HHAF COc1cccc(-c2nc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)co2)c1 963217996 BJJKAHOCQIBQEH-CTNGQTDRSA-N 401.422 3.587 0 1 HHAF Cc1c(O)ccc2c1[C@@](C)(c1nc3cc(Cl)c(Cl)cc3[nH]1)N[C@H](C(=O)O)C2 963491319 LZJNDMUCVNSUHV-LIRRHRJNSA-N 406.269 3.746 0 1 HHAF Cc1ccccc1CN1CC[C@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772645264 KUVFQBCWWCBTFO-RTWAWAEBSA-N 400.469 3.926 0 1 HHAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)c(Cl)[nH]1 1857550611 QBQLBPWJWMEFDP-MRXNPFEDSA-N 401.898 3.981 0 1 HHAF C[C@H]1C[C@@H]1c1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCCCC2)n1 1857560125 UOGXIUULIZLNGW-YJBOKZPZSA-N 405.506 3.804 0 1 HHAF Fc1ccc(/C=C/c2nc3ccc(F)cc3c(=NCCCN3CCOCC3)[nH]2)cc1 1857596917 OCFOQCYYHRYLGR-RUDMXATFSA-N 410.468 3.635 0 1 HHAF NC(=O)c1cccc(-c2nc(N=c3cc(C4CC4)[nH][nH]3)c3cc(Cl)ccc3n2)c1 1857631585 WKDGTLAIOANTRH-UHFFFAOYSA-N 404.861 3.815 0 1 HHAF CC(C)=C[C@@H]1OC(=O)C(=CCCC(C)=CCCC(C)=CCOC(=O)C[C@H](C)O)[C@H]1O 2356527535 DXDOQWITBDCYOY-IEIRFRATSA-N 420.546 3.932 0 1 HHAF Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)N(C)C1CCCCC1)S2 3273049 XECJIESDJYAMQM-DLBZAZTESA-N 405.955 3.790 0 3 HHAF